From 22808785cf963ab21456e7c2765460839d017d22 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 14:04:27 -0400 Subject: [PATCH 001/187] added new cmfd solver that doesnt require Petsc --- src/DEPENDENCIES | 8 + src/cmfd_execute.F90 | 5 + src/cmfd_solver.F90 | 489 ++++++++++++++++++++++++++++++++ src/input_xml.F90 | 8 +- src/matrix_header.F90 | 69 ++++- src/utils/build_dependencies.py | 2 +- src/vector_header.F90 | 25 ++ 7 files changed, 594 insertions(+), 12 deletions(-) create mode 100644 src/cmfd_solver.F90 diff --git a/src/DEPENDENCIES b/src/DEPENDENCIES index eeb538fc16..dfbfe5920f 100644 --- a/src/DEPENDENCIES +++ b/src/DEPENDENCIES @@ -24,6 +24,7 @@ cmfd_data.o: tally_header.o cmfd_execute.o: cmfd_data.o cmfd_execute.o: cmfd_jfnk_solver.o cmfd_execute.o: cmfd_power_solver.o +cmfd_execute.o: cmfd_solver.o cmfd_execute.o: constants.o cmfd_execute.o: error.o cmfd_execute.o: global.o @@ -76,6 +77,13 @@ cmfd_slepc_solver.o: cmfd_prod_operator.o cmfd_slepc_solver.o: constants.o cmfd_slepc_solver.o: global.o +cmfd_solver.o: cmfd_loss_operator.o +cmfd_solver.o: cmfd_prod_operator.o +cmfd_solver.o: constants.o +cmfd_solver.o: global.o +cmfd_solver.o: matrix_header.o +cmfd_solver.o: vector_header.o + cross_section.o: ace_header.o cross_section.o: constants.o cross_section.o: error.o diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index 17c8157f41..83257a870d 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -22,6 +22,7 @@ contains use cmfd_data, only: set_up_cmfd use cmfd_power_solver, only: cmfd_power_execute use cmfd_jfnk_solver, only: cmfd_jfnk_execute + use cmfd_solver, only: cmfd_solver_execute use error, only: warning, fatal_error ! CMFD single processor on master @@ -37,6 +38,7 @@ contains call process_cmfd_options() ! Call solver +#ifdef PETSC if (trim(cmfd_solver_type) == 'power') then call cmfd_power_execute() elseif (trim(cmfd_solver_type) == 'jfnk') then @@ -45,6 +47,9 @@ contains message = 'solver type became invalid after input processing' call fatal_error() end if +#else + call cmfd_solver_execute() +#endif ! Save k-effective cmfd % k_cmfd(current_batch) = cmfd % keff diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 new file mode 100644 index 0000000000..f8ee244017 --- /dev/null +++ b/src/cmfd_solver.F90 @@ -0,0 +1,489 @@ +module cmfd_solver + +! This module contains routines to execute the power iteration solver + + use cmfd_loss_operator, only: init_loss_matrix, build_loss_matrix + use cmfd_prod_operator, only: init_prod_matrix, build_prod_matrix + use matrix_header, only: Matrix + use vector_header, only: Vector + + implicit none + private + public :: cmfd_solver_execute + + logical :: iconv ! did the problem converged + real(8) :: k_n ! new k-eigenvalue + real(8) :: k_o ! old k-eigenvalue + real(8) :: ktol = 1.e-8_8 ! tolerance on keff + real(8) :: stol = 1.e-8_8 ! tolerance on source + real(8) :: norm_n ! current norm of source vector + real(8) :: norm_o ! old norm of source vector + real(8) :: kerr ! error in keff + real(8) :: serr ! error in source + logical :: adjoint_calc ! run an adjoint calculation + type(Matrix) :: loss ! cmfd loss matrix + type(Matrix) :: prod ! cmfd prod matrix + type(Vector) :: phi_n ! new flux vector + type(Vector) :: phi_o ! old flux vector + type(Vector) :: s_n ! new source vector + type(Vector) :: s_o ! old flux vector + type(Vector) :: serr_v ! error in source + +contains + +!=============================================================================== +! CMFD_SOLVER_EXECUTE sets up and runs power iteration solver for CMFD +!=============================================================================== + + subroutine cmfd_solver_execute(k_tol, s_tol, adjoint) + + use global, only: cmfd_adjoint_type, time_cmfdbuild, time_cmfdsolve + + real(8), optional :: k_tol ! tolerance on keff + real(8), optional :: s_tol ! tolerance on source + logical, optional :: adjoint ! adjoint calc + + logical :: physical_adjoint = .false. + + ! Set tolerances if present + if (present(k_tol)) ktol = k_tol + if (present(s_tol)) stol = s_tol + + ! Check for adjoint execution + adjoint_calc = .false. + if (present(adjoint)) adjoint_calc = adjoint + + ! Check for physical adjoint + if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'physical') & + physical_adjoint = .true. + + ! Start timer for build + call time_cmfdbuild % start() + + ! Initialize matrices and vectors + call init_data(physical_adjoint) + + ! Check for mathematical adjoint calculation + if (adjoint_calc .and. trim(cmfd_adjoint_type) == 'math') & + call compute_adjoint() + + ! Stop timer for build + call time_cmfdbuild % stop() + + ! Begin power iteration + call time_cmfdsolve % start() + call execute_power_iter() + call time_cmfdsolve % stop() + + ! Extract results + call extract_results() + + ! Deallocate data + call finalize() + + end subroutine cmfd_solver_execute + +!=============================================================================== +! INIT_DATA allocates matrices and vectors for CMFD solution +!=============================================================================== + + subroutine init_data(adjoint) + + use constants, only: ONE, ZERO + use global, only: cmfd_write_matrices + + logical :: adjoint + + integer :: n ! problem size + real(8) :: guess ! initial guess + + ! Set up matrices + call init_loss_matrix(loss) + call init_prod_matrix(prod) + + ! Get problem size + n = loss % n + + ! Set up flux vectors + call phi_n % create(n) + call phi_o % create(n) + + ! Set up source vectors + call s_n % create(n) + call s_o % create(n) + call serr_v % create(n) + + ! Set initial guess + guess = ONE + phi_n % val = guess + phi_o % val = guess + k_n = guess + k_o = guess + + ! Fill in loss matrix + call build_loss_matrix(loss, adjoint=adjoint) + + ! Fill in production matrix + call build_prod_matrix(prod, adjoint=adjoint) + + ! Setup petsc for everything + call loss % assemble() + call prod % assemble() + call loss % write('loss.dat') + call prod % write('prod.dat') + + ! Set norms to 0 + norm_n = ZERO + norm_o = ZERO + + end subroutine init_data + +!=============================================================================== +! COMPUTE_ADJOINT computes a mathematical adjoint of CMFD problem +!=============================================================================== + + subroutine compute_adjoint() + + use global, only: cmfd_write_matrices + + ! Transpose matrices + call loss % transpose() + call prod % transpose() + + ! Write out matrix in binary file (debugging) + if (cmfd_write_matrices) then + call loss % write_petsc_binary('adj_lossmat.bin') + call prod % write_petsc_binary('adj_prodmat.bin') + end if + + end subroutine compute_adjoint + +!=============================================================================== +! EXECUTE_POWER_ITER is the main power iteration routine +! for the cmfd calculation +!=============================================================================== + + subroutine execute_power_iter() + + integer :: i ! iteration counter + + ! Reset convergence flag + iconv = .false. + + ! Begin power iteration + do i = 1, 10000 + + ! Compute source vector + call prod % vector_multiply(phi_o, s_o) + + ! Normalize source vector + s_o % val = s_o % val / k_o + + ! Compute new flux vector + call cmfd_linsolver(s_o, phi_n) + + ! Compute new source vector + call prod % vector_multiply(phi_n, s_n) + + ! Compute new k-eigenvalue + k_n = sum(s_n % val) / sum(s_o % val) + + ! Renormalize the old source + s_o % val = s_o % val * k_o + + ! Check convergence + call convergence(i) + + ! Break loop if converged + if (iconv) exit + + ! Record old values + phi_o % val = phi_n % val + k_o = k_n + norm_o = norm_n + + end do + + end subroutine execute_power_iter + +!=============================================================================== +! CONVERGENCE checks the convergence of the CMFD problem +!=============================================================================== + + subroutine convergence(iter) + + use constants, only: ONE, TINY_BIT + use global, only: cmfd_power_monitor, master + use, intrinsic :: ISO_FORTRAN_ENV + + integer :: iter ! iteration number + + ! Reset convergence flag + iconv = .false. + + ! Calculate error in keff + kerr = abs(k_o - k_n)/k_n + + ! Calculate max error in source + where (s_n % val > TINY_BIT) + serr_v % val = ((s_n % val - s_o % val)/s_n % val)**2 + end where + serr = sqrt(ONE/dble(s_n % n) * sum(serr_v % val)) + + ! Check for convergence + if(kerr < ktol .and. serr < stol) iconv = .true. + + ! Save the L2 norm of the source + norm_n = serr + + ! Print out to user + if (cmfd_power_monitor .and. master) then + write(OUTPUT_UNIT,FMT='(I0,":",T10,"k-eff: ",F0.8,T30,"k-error: ", & + &1PE12.5,T55, "src-error: ",1PE12.5)') iter, k_n, kerr, serr + end if + + end subroutine convergence + +!=============================================================================== +! CMFD_LINSOLVER solves the CMFD linear system +!=============================================================================== + + subroutine cmfd_linsolver(b, x) + + use constants, only: ONE, ZERO + use global, only: cmfd + + type(Vector) :: b ! right hand side vector + type(Vector) :: x ! unknown vector + + integer :: i ! loop counter for x + integer :: j ! loop counter for y + integer :: k ! loop counter for z + integer :: n ! total size of vector + integer :: nx ! maximum dimension in x direction + integer :: ny ! maximum dimension in y direction + integer :: nz ! maximum dimension in z direction + integer :: ng ! number of energy groups + integer :: matidx ! matrix index of row + integer :: d1idx ! index of row "1" diagonal + integer :: d2idx ! index of row "2" diagonal + integer :: igs ! Gauss-Seidel iteration counter + integer :: irb ! Red/Black iteration switch + integer :: icol ! iteration counter over columns + logical :: found ! did we find col + real(8) :: m11 ! block diagonal component 1,1 + real(8) :: m12 ! block diagonal component 1,2 + real(8) :: m21 ! block diagonal component 2,1 + real(8) :: m22 ! block diagonal component 2,2 + real(8) :: dm ! determinant of block diagonal + real(8) :: d11 ! inverse component 1,1 + real(8) :: d12 ! inverse component 1,2 + real(8) :: d21 ! inverse component 2,1 + real(8) :: d22 ! inverse component 2,2 + real(8) :: tmp1 ! temporary sum g1 + real(8) :: tmp2 ! temporary sum g2 + real(8) :: err ! error in convergence of solution + real(8) :: tol ! tolerance on final error + type(Vector) :: tmpx ! temporary solution vector + + ! Set tolerance + tol = 1.e-10_8 + + ! Dimensions + ng = 2 + nx = cmfd % indices(1) + ny = cmfd % indices(2) + nz = cmfd % indices(3) + n = ng*nx*ny*nz + + ! Perform Gauss Seidel iterations + GS: do igs = 1, 10000 + + ! Copy over x vector + call tmpx % copy(x) + + ! Perform red/black gs iterations + REDBLACK: do irb = 0,1 + + ZLOOP: do k = 1, nz + + YLOOP: do j = 1, ny + + XLOOP: do i = 1, nx + + ! Filter out black cells (even) + if (mod(i+j+k,2) == irb) cycle + + ! Get starting row in matrix for this block + call indices_to_matrix(1, i, j, k, matidx, ng, nx, ny) + + ! Get the index of the diagonals for both rows + call loss % search_indices(matidx, matidx, d1idx, found) + + call loss % search_indices(matidx + 1, matidx + 1, d2idx, found) + + ! Get block diagonal + m11 = loss % val(d1idx) ! group 1 diagonal + m12 = loss % val(d1idx + 1) ! group 1 right of diagonal (sorted by col) + m21 = loss % val(d2idx - 1) ! group 2 left of diagonal (sorted by col) + m22 = loss % val(d2idx) ! group 2 diagonal + + ! Analytically invert the diagonal + dm = m11*m22 - m12*m21 + d11 = m22/dm + d12 = -m12/dm + d21 = -m21/dm + d22 = m11/dm + + ! Perform temporary sums, first do left of diag block, then right of diag block + tmp1 = ZERO + tmp2 = ZERO + do icol = loss % get_row(matidx), d1idx - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = loss % get_row(matidx + 1), d2idx - 2 + tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = d1idx + 2, loss % get_row(matidx + 1) - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = d2idx + 1, loss % get_row(matidx + 2) - 1 + tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + + ! Adjust with RHS vector + tmp1 = b % val(matidx) - tmp1 + tmp2 = b % val(matidx + 1) - tmp2 + + ! Solve for new x + x % val(matidx) = d11*tmp1 + d12*tmp2 + x % val(matidx + 1) = d21*tmp1 + d22*tmp2 + + end do XLOOP + + end do YLOOP + + end do ZLOOP + + end do REDBLACK + + ! Check convergence + err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) + if (err < tol) exit + + end do GS + + call tmpx % destroy() + + end subroutine cmfd_linsolver + +!=============================================================================== +! EXTRACT_RESULTS takes results and puts them in CMFD global data object +!=============================================================================== + + subroutine extract_results() + + use global, only: cmfd, cmfd_write_matrices, current_batch + + character(len=25) :: filename ! name of file to write data + integer :: n ! problem size + + ! Get problem size + n = loss % n + + ! Allocate in cmfd object if not already allocated + if (adjoint_calc) then + if (.not. allocated(cmfd%adj_phi)) allocate(cmfd%adj_phi(n)) + else + if (.not. allocated(cmfd%phi)) allocate(cmfd%phi(n)) + end if + + ! Save values + if (adjoint_calc) then + cmfd % adj_phi = phi_n % val + else + cmfd % phi = phi_n % val + end if + + ! Save eigenvalue + if(adjoint_calc) then + cmfd%adj_keff = k_n + else + cmfd%keff = k_n + end if + + ! Normalize phi to 1 + if (adjoint_calc) then + cmfd%adj_phi = cmfd%adj_phi/sqrt(sum(cmfd%adj_phi*cmfd%adj_phi)) + else + cmfd%phi = cmfd%phi/sqrt(sum(cmfd%phi*cmfd%phi)) + end if + + ! Save dominance ratio + cmfd % dom(current_batch) = norm_n/norm_o + + ! Write out results + if (cmfd_write_matrices) then + if (adjoint_calc) then + filename = 'adj_fluxvec.bin' + else + filename = 'fluxvec.bin' + end if + call phi_n % write_petsc_binary(filename) + end if + + end subroutine extract_results + +!=============================================================================== +! INDICES_TO_MATRIX takes (x,y,z,g) indices and computes location in matrix +!=============================================================================== + + subroutine indices_to_matrix(g, i, j, k, matidx, ng, nx, ny) + + use global, only: cmfd, cmfd_coremap + + integer :: matidx ! the index location in matrix + integer :: i ! current x index + integer :: j ! current y index + integer :: k ! current z index + integer :: g ! current group index + integer :: nx ! maximum number of x cells + integer :: ny ! maximum number of y cells + integer :: ng ! maximum number of groups + + ! Check if coremap is used + if (cmfd_coremap) then + + ! Get idx from core map + matidx = ng*(cmfd % coremap(i,j,k)) - (ng - g) + + else + + ! Compute index + matidx = g + ng*(i - 1) + ng*nx*(j - 1) + ng*nx*ny*(k - 1) + + end if + + end subroutine indices_to_matrix + +!=============================================================================== +! FINALIZE frees all memory associated with power iteration +!=============================================================================== + + subroutine finalize() + + ! Destroy all objects +#ifdef PETSC + call gmres % destroy() +#endif + call loss % destroy() + call prod % destroy() + call phi_n % destroy() + call phi_o % destroy() + call s_n % destroy() + call s_o % destroy() + call serr_v % destroy + + end subroutine finalize + +end module cmfd_solver diff --git a/src/input_xml.F90 b/src/input_xml.F90 index f50a4557c5..13b82e9400 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -579,10 +579,10 @@ contains call lower_case(run_cmfd_) if (run_cmfd_ == 'true' .or. run_cmfd_ == '1') then cmfd_run = .true. -#ifndef PETSC - message = 'CMFD is not available, recompile OpenMC with PETSc' - call fatal_error() -#endif +!#ifndef PETSC +! message = 'CMFD is not available, recompile OpenMC with PETSc' +! call fatal_error() +!#endif end if end subroutine read_settings_xml diff --git a/src/matrix_header.F90 b/src/matrix_header.F90 index 25f1df95a5..51308123f5 100644 --- a/src/matrix_header.F90 +++ b/src/matrix_header.F90 @@ -20,17 +20,19 @@ module matrix_header # endif logical :: petsc_active contains - procedure :: create => matrix_create - procedure :: destroy => matrix_destroy - procedure :: add_value => matrix_add_value - procedure :: new_row => matrix_new_row - procedure :: assemble => matrix_assemble - procedure :: get_row => matrix_get_row - procedure :: get_col => matrix_get_col + procedure :: create => matrix_create + procedure :: destroy => matrix_destroy + procedure :: add_value => matrix_add_value + procedure :: new_row => matrix_new_row + procedure :: assemble => matrix_assemble + procedure :: get_row => matrix_get_row + procedure :: get_col => matrix_get_col procedure :: setup_petsc => matrix_setup_petsc procedure :: write_petsc_binary => matrix_write_petsc_binary procedure :: transpose => matrix_transpose procedure :: vector_multiply => matrix_vector_multiply + procedure :: search_indices => matrix_search_indices + procedure :: write => matrix_write end type matrix integer :: petsc_err @@ -355,4 +357,57 @@ contains end subroutine matrix_vector_multiply +!=============================================================================== +! MATRIX_SEARCH_INDICES searches for an index in column corresponding to a row +!=============================================================================== + + subroutine matrix_search_indices(self, row, col, idx, found) + + class(Matrix) :: self + integer :: row + integer :: col + integer :: idx + logical :: found + + integer :: j + + found = .false. + + COLS: do j = self % get_row(row), self % get_row(row + 1) - 1 + + if (self % get_col(j) == col) then + idx = j + found = .true. + exit + end if + + end do COLS + + end subroutine matrix_search_indices + +!=============================================================================== +! MATRIX_WRITE writes a matrix to file +!=============================================================================== + + subroutine matrix_write(self, filename) + + character(*) :: filename + class(Matrix) :: self + + integer :: unit_ + integer :: i + integer :: j + + open(newunit=unit_, file=filename) + + do i = 1, self % n + do j = self % get_row(i), self % get_row(i + 1) - 1 + write(unit_,*) i, self % get_col(j), self % val(j) + end do + end do + + close(unit_) + + end subroutine matrix_write + end module matrix_header diff --git a/src/utils/build_dependencies.py b/src/utils/build_dependencies.py index 19ac978857..cefc59b937 100755 --- a/src/utils/build_dependencies.py +++ b/src/utils/build_dependencies.py @@ -12,7 +12,7 @@ for src in glob.iglob('*.F90'): open(src, 'r').read()) for name in d: if name in ['mpi', 'hdf5', 'h5lt', 'petscsys', 'petscmat', 'petscksp', - 'petscsnes', 'petscvec']: + 'petscsnes', 'petscvec', 'omp_lib']: continue if name.startswith('xml_data_'): name = name.replace('xml_data_', 'templates/') diff --git a/src/vector_header.F90 b/src/vector_header.F90 index 47b865ebec..ed9ceda089 100644 --- a/src/vector_header.F90 +++ b/src/vector_header.F90 @@ -23,6 +23,7 @@ module vector_header procedure :: add_value => vector_add_value procedure :: setup_petsc => vector_setup_petsc procedure :: write_petsc_binary => vector_write_petsc_binary + procedure :: copy => vector_copy end type Vector integer :: petsc_err @@ -123,4 +124,28 @@ contains end subroutine vector_write_petsc_binary +!=============================================================================== +! VECTOR_COPY allocates a separate vector and copies +!=============================================================================== + + subroutine vector_copy(self, vectocopy) + + class(Vector), target :: self + type(Vector) :: vectocopy + + ! Preallocate vector + if (.not.allocated(self % data)) allocate(self % data(vectocopy % n)) + self % val => self % data(1:vectocopy % n) + + ! Set n + self % n = vectocopy % n + + ! Copy values + self % val = vectocopy % val + + ! Petsc is default not active + self % petsc_active = .false. + + end subroutine vector_copy + end module vector_header From c3446ef71450c8866fbc0e208141c903e7850e6e Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 15:00:22 -0400 Subject: [PATCH 002/187] added SOR --- src/cmfd_input.F90 | 3 +++ src/cmfd_solver.F90 | 20 ++++++++++++++++---- src/global.F90 | 3 +++ src/templates/cmfd_t.xml | 1 + 4 files changed, 23 insertions(+), 4 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 9a768f4e3b..5c7b7355a4 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -199,6 +199,9 @@ contains cmfd_display = '' end if + ! Read in spectral radius estimate + cmfd_spectral = spectral_ + ! Create tally objects call create_cmfd_tally() diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index f8ee244017..53b3f8aed4 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -251,7 +251,7 @@ contains subroutine cmfd_linsolver(b, x) use constants, only: ONE, ZERO - use global, only: cmfd + use global, only: cmfd, cmfd_spectral type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector @@ -282,12 +282,16 @@ contains real(8) :: d22 ! inverse component 2,2 real(8) :: tmp1 ! temporary sum g1 real(8) :: tmp2 ! temporary sum g2 + real(8) :: x1 ! new g1 value of x + real(8) :: x2 ! new g2 value of x real(8) :: err ! error in convergence of solution real(8) :: tol ! tolerance on final error + real(8) :: w ! overrelaxation parameter type(Vector) :: tmpx ! temporary solution vector - ! Set tolerance + ! Set tolerance and overrelaxation parameter tol = 1.e-10_8 + w = ONE ! Dimensions ng = 2 @@ -356,8 +360,12 @@ contains tmp2 = b % val(matidx + 1) - tmp2 ! Solve for new x - x % val(matidx) = d11*tmp1 + d12*tmp2 - x % val(matidx + 1) = d21*tmp1 + d22*tmp2 + x1 = d11*tmp1 + d12*tmp2 + x2 = d21*tmp1 + d22*tmp2 + + ! Perform overrelaxation + x % val(matidx) = (ONE - w)*x % val(matidx) + w*x1 + x % val(matidx + 1) = (ONE - w)*x % val(matidx + 1) + w*x2 end do XLOOP @@ -369,8 +377,12 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) +print *, igs, err, w if (err < tol) exit + ! Calculation new overrelaxation parameter + w = ONE/(ONE - 0.25_8*cmfd_spectral*w) + end do GS call tmpx % destroy() diff --git a/src/global.F90 b/src/global.F90 index f12171b257..79cddbaa47 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -355,6 +355,9 @@ module global ! CMFD display info character(len=25) :: cmfd_display + ! Estimate of spectral radius of CMFD matrices + real(8) :: cmfd_spectral = ONE + ! Information about state points to be written integer :: n_state_points = 0 type(SetInt) :: statepoint_batch diff --git a/src/templates/cmfd_t.xml b/src/templates/cmfd_t.xml index 0e49e0e5ab..901b30181d 100644 --- a/src/templates/cmfd_t.xml +++ b/src/templates/cmfd_t.xml @@ -30,5 +30,6 @@ + From c479adc5678506e06f5d79ab3cfa0cddb8ffb96b Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 18:00:12 -0400 Subject: [PATCH 003/187] solver now works with coremap feature, loop is around rows now instead of i,j,k --- src/cmfd_solver.F90 | 144 +++++++++++++++++++++++++++----------------- 1 file changed, 88 insertions(+), 56 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 53b3f8aed4..698e1dd8c1 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -256,6 +256,7 @@ contains type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector + integer :: g ! group index integer :: i ! loop counter for x integer :: j ! loop counter for y integer :: k ! loop counter for z @@ -264,11 +265,11 @@ contains integer :: ny ! maximum dimension in y direction integer :: nz ! maximum dimension in z direction integer :: ng ! number of energy groups - integer :: matidx ! matrix index of row integer :: d1idx ! index of row "1" diagonal integer :: d2idx ! index of row "2" diagonal integer :: igs ! Gauss-Seidel iteration counter integer :: irb ! Red/Black iteration switch + integer :: irow ! row iteration integer :: icol ! iteration counter over columns logical :: found ! did we find col real(8) :: m11 ! block diagonal component 1,1 @@ -298,7 +299,7 @@ contains nx = cmfd % indices(1) ny = cmfd % indices(2) nz = cmfd % indices(3) - n = ng*nx*ny*nz + n = loss % n ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 @@ -309,75 +310,67 @@ contains ! Perform red/black gs iterations REDBLACK: do irb = 0,1 - ZLOOP: do k = 1, nz + ! Begin loop around matrix rows + ROWS: do irow = 1, n, 2 - YLOOP: do j = 1, ny + ! Get spatial location + call matrix_to_indices(irow, g, i, j, k, ng, nx, ny, nz) - XLOOP: do i = 1, nx + ! Filter out black cells (even) + if (mod(i+j+k,2) == irb) cycle - ! Filter out black cells (even) - if (mod(i+j+k,2) == irb) cycle + ! Get the index of the diagonals for both rows + call loss % search_indices(irow, irow, d1idx, found) + call loss % search_indices(irow + 1, irow + 1, d2idx, found) - ! Get starting row in matrix for this block - call indices_to_matrix(1, i, j, k, matidx, ng, nx, ny) + ! Get block diagonal + m11 = loss % val(d1idx) ! group 1 diagonal + m12 = loss % val(d1idx + 1) ! group 1 right of diagonal (sorted by col) + m21 = loss % val(d2idx - 1) ! group 2 left of diagonal (sorted by col) + m22 = loss % val(d2idx) ! group 2 diagonal - ! Get the index of the diagonals for both rows - call loss % search_indices(matidx, matidx, d1idx, found) + ! Analytically invert the diagonal + dm = m11*m22 - m12*m21 + d11 = m22/dm + d12 = -m12/dm + d21 = -m21/dm + d22 = m11/dm - call loss % search_indices(matidx + 1, matidx + 1, d2idx, found) + ! Perform temporary sums, first do left of diag block, then right of diag block + tmp1 = ZERO + tmp2 = ZERO + do icol = loss % get_row(irow), d1idx - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = loss % get_row(irow + 1), d2idx - 2 + tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = d1idx + 2, loss % get_row(irow + 1) - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = d2idx + 1, loss % get_row(irow + 2) - 1 + tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + end do - ! Get block diagonal - m11 = loss % val(d1idx) ! group 1 diagonal - m12 = loss % val(d1idx + 1) ! group 1 right of diagonal (sorted by col) - m21 = loss % val(d2idx - 1) ! group 2 left of diagonal (sorted by col) - m22 = loss % val(d2idx) ! group 2 diagonal + ! Adjust with RHS vector + tmp1 = b % val(irow) - tmp1 + tmp2 = b % val(irow + 1) - tmp2 - ! Analytically invert the diagonal - dm = m11*m22 - m12*m21 - d11 = m22/dm - d12 = -m12/dm - d21 = -m21/dm - d22 = m11/dm + ! Solve for new x + x1 = d11*tmp1 + d12*tmp2 + x2 = d21*tmp1 + d22*tmp2 - ! Perform temporary sums, first do left of diag block, then right of diag block - tmp1 = ZERO - tmp2 = ZERO - do icol = loss % get_row(matidx), d1idx - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) - end do - do icol = loss % get_row(matidx + 1), d2idx - 2 - tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) - end do - do icol = d1idx + 2, loss % get_row(matidx + 1) - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) - end do - do icol = d2idx + 1, loss % get_row(matidx + 2) - 1 - tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) - end do + ! Perform overrelaxation + x % val(irow) = (ONE - w)*x % val(irow) + w*x1 + x % val(irow + 1) = (ONE - w)*x % val(irow + 1) + w*x2 - ! Adjust with RHS vector - tmp1 = b % val(matidx) - tmp1 - tmp2 = b % val(matidx + 1) - tmp2 - - ! Solve for new x - x1 = d11*tmp1 + d12*tmp2 - x2 = d21*tmp1 + d22*tmp2 - - ! Perform overrelaxation - x % val(matidx) = (ONE - w)*x % val(matidx) + w*x1 - x % val(matidx + 1) = (ONE - w)*x % val(matidx + 1) + w*x2 - - end do XLOOP - - end do YLOOP - - end do ZLOOP + end do ROWS end do REDBLACK ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) -print *, igs, err, w +! print *, igs, err, w if (err < tol) exit ! Calculation new overrelaxation parameter @@ -478,6 +471,45 @@ print *, igs, err, w end subroutine indices_to_matrix +!=============================================================================== +! MATRIX_TO_INDICES converts a matrix index to spatial and group indicies +!=============================================================================== + + subroutine matrix_to_indices(irow, g, i, j, k, ng, nx, ny, nz) + + use global, only: cmfd, cmfd_coremap + + integer :: i ! iteration counter for x + integer :: j ! iteration counter for y + integer :: k ! iteration counter for z + integer :: g ! iteration counter for groups + integer :: irow ! iteration counter over row (0 reference) + integer :: nx ! maximum number of x cells + integer :: ny ! maximum number of y cells + integer :: nz ! maximum number of z cells + integer :: ng ! maximum number of groups + + ! Check for core map + if (cmfd_coremap) then + + ! Get indices from indexmap + g = mod(irow-1, ng) + 1 + i = cmfd % indexmap((irow-1)/ng+1,1) + j = cmfd % indexmap((irow-1)/ng+1,2) + k = cmfd % indexmap((irow-1)/ng+1,3) + + else + + ! Compute indices + g = mod(irow-1, ng) + 1 + i = mod(irow-1, ng*nx)/ng + 1 + j = mod(irow-1, ng*nx*ny)/(ng*nx)+ 1 + k = mod(irow-1, ng*nx*ny*nz)/(ng*nx*ny) + 1 + + end if + + end subroutine matrix_to_indices + !=============================================================================== ! FINALIZE frees all memory associated with power iteration !=============================================================================== From da9b1051b3b8b49d4c0f9a3608c33d309a45463a Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 19:06:15 -0400 Subject: [PATCH 004/187] default spectral radius is 0 (G-S no SOR) --- src/global.F90 | 2 +- src/templates/cmfd_t.xml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/global.F90 b/src/global.F90 index 79cddbaa47..62b196319e 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -356,7 +356,7 @@ module global character(len=25) :: cmfd_display ! Estimate of spectral radius of CMFD matrices - real(8) :: cmfd_spectral = ONE + real(8) :: cmfd_spectral = ZERO ! Information about state points to be written integer :: n_state_points = 0 diff --git a/src/templates/cmfd_t.xml b/src/templates/cmfd_t.xml index 901b30181d..093edf112b 100644 --- a/src/templates/cmfd_t.xml +++ b/src/templates/cmfd_t.xml @@ -30,6 +30,6 @@ - + From e9b0642c1f8959cfbc78da103fbe46f1e7551e36 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 19:06:59 -0400 Subject: [PATCH 005/187] added 1g solver and procedure pointer --- src/cmfd_solver.F90 | 132 ++++++++++++++++++++++++++++++++++++++++++-- 1 file changed, 127 insertions(+), 5 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 698e1dd8c1..0769beef73 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -29,6 +29,16 @@ module cmfd_solver type(Vector) :: s_o ! old flux vector type(Vector) :: serr_v ! error in source + ! CMFD linear solver interface + procedure(linsolve), pointer :: cmfd_linsolver => null() + abstract interface + subroutine linsolve(b, x) + import :: Vector + type(Vector) :: b + type(Vector) :: x + end subroutine linsolve + end interface + contains !=============================================================================== @@ -90,7 +100,8 @@ contains subroutine init_data(adjoint) use constants, only: ONE, ZERO - use global, only: cmfd_write_matrices + use error, only: fatal_error + use global, only: cmfd, cmfd_write_matrices, message logical :: adjoint @@ -136,6 +147,18 @@ contains norm_n = ZERO norm_o = ZERO + ! Set up solver + select case(cmfd % indices(4)) + case(1) + cmfd_linsolver => cmfd_linsolver_1g + case(2) + cmfd_linsolver => cmfd_linsolver_2g + case default + message = 'Must use PETSc for more than 2 groups' + call fatal_error() + end select + + end subroutine init_data !=============================================================================== @@ -245,10 +268,109 @@ contains end subroutine convergence !=============================================================================== -! CMFD_LINSOLVER solves the CMFD linear system +! CMFD_LINSOLVER_1g solves the CMFD linear system !=============================================================================== - subroutine cmfd_linsolver(b, x) + subroutine cmfd_linsolver_1g(b, x) + + use constants, only: ONE, ZERO + use global, only: cmfd, cmfd_spectral + + type(Vector) :: b ! right hand side vector + type(Vector) :: x ! unknown vector + + integer :: g ! group index + integer :: i ! loop counter for x + integer :: j ! loop counter for y + integer :: k ! loop counter for z + integer :: n ! total size of vector + integer :: nx ! maximum dimension in x direction + integer :: ny ! maximum dimension in y direction + integer :: nz ! maximum dimension in z direction + integer :: ng ! number of energy groups + integer :: igs ! Gauss-Seidel iteration counter + integer :: irb ! Red/Black iteration switch + integer :: irow ! row iteration + integer :: icol ! iteration counter over columns + integer :: didx ! index for diagonal component + logical :: found ! did we find col + real(8) :: tmp1 ! temporary sum g1 + real(8) :: x1 ! new g1 value of x + real(8) :: err ! error in convergence of solution + real(8) :: tol ! tolerance on final error + real(8) :: w ! overrelaxation parameter + type(Vector) :: tmpx ! temporary solution vector + + ! Set tolerance and overrelaxation parameter + tol = 1.e-10_8 + w = ONE + + ! Dimensions + ng = 1 + nx = cmfd % indices(1) + ny = cmfd % indices(2) + nz = cmfd % indices(3) + n = loss % n + + ! Perform Gauss Seidel iterations + GS: do igs = 1, 10000 + + ! Copy over x vector + call tmpx % copy(x) + + ! Perform red/black gs iterations + REDBLACK: do irb = 0,1 + + ! Begin loop around matrix rows + ROWS: do irow = 1, n + + ! Get spatial location + call matrix_to_indices(irow, g, i, j, k, ng, nx, ny, nz) + + ! Filter out black cells (even) + if (mod(i+j+k,2) == irb) cycle + + ! Get the index of the diagonals for both rows + call loss % search_indices(irow, irow, didx, found) + + ! Perform temporary sums, first do left of diag block, then right of diag block + tmp1 = ZERO + do icol = loss % get_row(irow), didx - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + do icol = didx + 1, loss % get_row(irow + 1) - 1 + tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + end do + + ! Solve for new x + x1 = (b % val(irow) - tmp1)/loss % val(didx) + + ! Perform overrelaxation + x % val(irow) = (ONE - w)*x % val(irow) + w*x1 + + end do ROWS + + end do REDBLACK + + ! Check convergence + err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) +!print *, igs, err, w + if (err < tol) exit + + ! Calculation new overrelaxation parameter + w = ONE/(ONE - 0.25_8*cmfd_spectral*w) + + end do GS + + call tmpx % destroy() + + end subroutine cmfd_linsolver_1g + +!=============================================================================== +! CMFD_LINSOLVER_2G solves the CMFD linear system +!=============================================================================== + + subroutine cmfd_linsolver_2g(b, x) use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral @@ -370,7 +492,7 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) -! print *, igs, err, w +!print *, igs, err, w if (err < tol) exit ! Calculation new overrelaxation parameter @@ -380,7 +502,7 @@ contains call tmpx % destroy() - end subroutine cmfd_linsolver + end subroutine cmfd_linsolver_2g !=============================================================================== ! EXTRACT_RESULTS takes results and puts them in CMFD global data object From 035534124763d6b5a2a5b21ad064649736ff3886 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 24 Sep 2013 19:18:42 -0400 Subject: [PATCH 006/187] can now set G-S tolerance, updated tests --- src/cmfd_input.F90 | 3 ++- src/cmfd_solver.F90 | 4 ++-- src/global.F90 | 3 ++- src/templates/cmfd_t.xml | 1 + tests/test_cmfd_feed/cmfd.xml | 1 + tests/test_cmfd_nofeed/cmfd.xml | 1 + 6 files changed, 9 insertions(+), 4 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 5c7b7355a4..386b06fc27 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -199,8 +199,9 @@ contains cmfd_display = '' end if - ! Read in spectral radius estimate + ! Read in spectral radius estimate and G-S tolerance cmfd_spectral = spectral_ + cmfd_gs_tol = gs_tol_ ! Create tally objects call create_cmfd_tally() diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 0769beef73..b1b95b9823 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -274,7 +274,7 @@ contains subroutine cmfd_linsolver_1g(b, x) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_spectral + use global, only: cmfd, cmfd_spectral, cmfd_gs_tol type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector @@ -302,7 +302,7 @@ contains type(Vector) :: tmpx ! temporary solution vector ! Set tolerance and overrelaxation parameter - tol = 1.e-10_8 + tol = cmfd_gs_tol w = ONE ! Dimensions diff --git a/src/global.F90 b/src/global.F90 index 62b196319e..83d99e1f51 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -355,8 +355,9 @@ module global ! CMFD display info character(len=25) :: cmfd_display - ! Estimate of spectral radius of CMFD matrices + ! Estimate of spectral radius of CMFD matrices and G-S tolerance real(8) :: cmfd_spectral = ZERO + real(8) :: cmfd_gs_tol = 1.e-10_8 ! Information about state points to be written integer :: n_state_points = 0 diff --git a/src/templates/cmfd_t.xml b/src/templates/cmfd_t.xml index 093edf112b..04326bfdc9 100644 --- a/src/templates/cmfd_t.xml +++ b/src/templates/cmfd_t.xml @@ -31,5 +31,6 @@ + diff --git a/tests/test_cmfd_feed/cmfd.xml b/tests/test_cmfd_feed/cmfd.xml index 51def74088..891d264167 100644 --- a/tests/test_cmfd_feed/cmfd.xml +++ b/tests/test_cmfd_feed/cmfd.xml @@ -12,5 +12,6 @@ dominance power true + 1.e-15 diff --git a/tests/test_cmfd_nofeed/cmfd.xml b/tests/test_cmfd_nofeed/cmfd.xml index c36a396043..710b3a7d16 100644 --- a/tests/test_cmfd_nofeed/cmfd.xml +++ b/tests/test_cmfd_nofeed/cmfd.xml @@ -12,5 +12,6 @@ dominance power false + 1.e-15 From 66b5ede5c451a91be058b08285e2d1aa0dc44192 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 25 Sep 2013 09:16:06 -0400 Subject: [PATCH 007/187] added Wielandt shifting --- src/cmfd_input.F90 | 1 + src/cmfd_solver.F90 | 143 ++++++++++++++++++++++++++++++++------------ src/global.F90 | 1 + 3 files changed, 107 insertions(+), 38 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 386b06fc27..444c479599 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -202,6 +202,7 @@ contains ! Read in spectral radius estimate and G-S tolerance cmfd_spectral = spectral_ cmfd_gs_tol = gs_tol_ + if (shift_ /= ZERO) cmfd_shift = shift_ ! Create tally objects call create_cmfd_tally() diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index b1b95b9823..2fc74df039 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -14,6 +14,9 @@ module cmfd_solver logical :: iconv ! did the problem converged real(8) :: k_n ! new k-eigenvalue real(8) :: k_o ! old k-eigenvalue + real(8) :: k_s ! shift of eigenvalue + real(8) :: k_ln ! new shifted eigenvalue + real(8) :: k_lo ! old shifted eigenvalue real(8) :: ktol = 1.e-8_8 ! tolerance on keff real(8) :: stol = 1.e-8_8 ! tolerance on source real(8) :: norm_n ! current norm of source vector @@ -32,10 +35,13 @@ module cmfd_solver ! CMFD linear solver interface procedure(linsolve), pointer :: cmfd_linsolver => null() abstract interface - subroutine linsolve(b, x) + subroutine linsolve(A, b, x, i) + import :: Matrix import :: Vector + type(Matrix) :: A type(Vector) :: b type(Vector) :: x + integer :: i end subroutine linsolve end interface @@ -101,12 +107,13 @@ contains use constants, only: ONE, ZERO use error, only: fatal_error - use global, only: cmfd, cmfd_write_matrices, message + use global, only: cmfd, cmfd_write_matrices, message, cmfd_shift, keff logical :: adjoint integer :: n ! problem size real(8) :: guess ! initial guess + real(8) :: dw ! eigenvalue shift ! Set up matrices call init_loss_matrix(loss) @@ -128,8 +135,12 @@ contains guess = ONE phi_n % val = guess phi_o % val = guess - k_n = guess - k_o = guess + k_n = keff + k_o = k_n + dw = cmfd_shift + k_s = k_o + dw + k_ln = ONE/(ONE/k_n - ONE/k_s) + k_lo = k_ln ! Fill in loss matrix call build_loss_matrix(loss, adjoint=adjoint) @@ -188,11 +199,20 @@ contains subroutine execute_power_iter() + use constants, only: ONE + integer :: i ! iteration counter + integer :: innerits ! # of inner iterations + integer :: totalits ! total number of inners + type(Matrix) :: Ms ! Reset convergence flag iconv = .false. + ! Perform shift + call wielandt_shift(Ms) + totalits = 0 + ! Begin power iteration do i = 1, 10000 @@ -200,22 +220,26 @@ contains call prod % vector_multiply(phi_o, s_o) ! Normalize source vector - s_o % val = s_o % val / k_o + s_o % val = s_o % val / k_lo ! Compute new flux vector - call cmfd_linsolver(s_o, phi_n) + call cmfd_linsolver(Ms, s_o, phi_n, innerits) ! Compute new source vector call prod % vector_multiply(phi_n, s_n) - ! Compute new k-eigenvalue - k_n = sum(s_n % val) / sum(s_o % val) + ! Compute new shifted eigenvalue + k_ln = sum(s_n % val) / sum(s_o % val) + + ! Compute new eigenvalue + k_n = ONE/(ONE/k_ln + ONE/k_s) ! Renormalize the old source - s_o % val = s_o % val * k_o + s_o % val = s_o % val * k_lo ! Check convergence - call convergence(i) + call convergence(i, innerits) + totalits = totalits + innerits ! Break loop if converged if (iconv) exit @@ -223,23 +247,58 @@ contains ! Record old values phi_o % val = phi_n % val k_o = k_n + k_lo = k_ln norm_o = norm_n - +read* end do +print *, 'TOTAL INNER:', totalits + ! Destroy shifted matrix + call Ms % destroy() end subroutine execute_power_iter +!=============================================================================== +! WIELANDT SHIFT +!=============================================================================== + + subroutine wielandt_shift(Ms) + + use constants, only: ONE + + type(Matrix) :: Ms + + integer :: irow ! row counter + integer :: icol ! col counter + integer :: jcol ! current col index in prod matrix + + ! copy loss matrix + call Ms % copy(loss) + + ! perform subtraction + jcol = 1 + ROWS: do irow = 1, Ms % n + COLS: do icol = Ms % get_row(irow), Ms % get_row(irow + 1) - 1 + if (Ms % get_col(icol) == prod % get_col(jcol)) then + Ms % val(icol) = Ms % val(icol) - ONE/k_s*prod % val(jcol) + jcol = jcol + 1 + end if + end do COLS + end do ROWS + + end subroutine wielandt_shift + !=============================================================================== ! CONVERGENCE checks the convergence of the CMFD problem !=============================================================================== - subroutine convergence(iter) + subroutine convergence(iter, innerits) use constants, only: ONE, TINY_BIT use global, only: cmfd_power_monitor, master use, intrinsic :: ISO_FORTRAN_ENV - integer :: iter ! iteration number + integer :: iter ! outer iteration number + integer :: innerits ! inner iteration nubmer ! Reset convergence flag iconv = .false. @@ -262,7 +321,8 @@ contains ! Print out to user if (cmfd_power_monitor .and. master) then write(OUTPUT_UNIT,FMT='(I0,":",T10,"k-eff: ",F0.8,T30,"k-error: ", & - &1PE12.5,T55, "src-error: ",1PE12.5)') iter, k_n, kerr, serr + &1PE12.5,T55, "src-error: ",1PE12.5,T80,I0)') iter, k_n, kerr, & + serr, innerits end if end subroutine convergence @@ -271,13 +331,15 @@ contains ! CMFD_LINSOLVER_1g solves the CMFD linear system !=============================================================================== - subroutine cmfd_linsolver_1g(b, x) + subroutine cmfd_linsolver_1g(A, b, x, its) use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral, cmfd_gs_tol + type(Matrix) :: A ! coefficient matrix type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector + integer :: its ! number of inner iterations integer :: g ! group index integer :: i ! loop counter for x @@ -310,7 +372,7 @@ contains nx = cmfd % indices(1) ny = cmfd % indices(2) nz = cmfd % indices(3) - n = loss % n + n = A % n ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 @@ -331,19 +393,19 @@ contains if (mod(i+j+k,2) == irb) cycle ! Get the index of the diagonals for both rows - call loss % search_indices(irow, irow, didx, found) + call A % search_indices(irow, irow, didx, found) ! Perform temporary sums, first do left of diag block, then right of diag block tmp1 = ZERO - do icol = loss % get_row(irow), didx - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = A % get_row(irow), didx - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) end do - do icol = didx + 1, loss % get_row(irow + 1) - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = didx + 1, A % get_row(irow + 1) - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) end do ! Solve for new x - x1 = (b % val(irow) - tmp1)/loss % val(didx) + x1 = (b % val(irow) - tmp1)/A % val(didx) ! Perform overrelaxation x % val(irow) = (ONE - w)*x % val(irow) + w*x1 @@ -354,6 +416,7 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) + its = igs !print *, igs, err, w if (err < tol) exit @@ -370,13 +433,15 @@ contains ! CMFD_LINSOLVER_2G solves the CMFD linear system !=============================================================================== - subroutine cmfd_linsolver_2g(b, x) + subroutine cmfd_linsolver_2g(A, b, x, its) use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral + type(Matrix) :: A ! coefficient matrix type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector + integer :: its ! number of inner iterations integer :: g ! group index integer :: i ! loop counter for x @@ -421,7 +486,7 @@ contains nx = cmfd % indices(1) ny = cmfd % indices(2) nz = cmfd % indices(3) - n = loss % n + n = A % n ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 @@ -442,14 +507,14 @@ contains if (mod(i+j+k,2) == irb) cycle ! Get the index of the diagonals for both rows - call loss % search_indices(irow, irow, d1idx, found) - call loss % search_indices(irow + 1, irow + 1, d2idx, found) + call A % search_indices(irow, irow, d1idx, found) + call A % search_indices(irow + 1, irow + 1, d2idx, found) ! Get block diagonal - m11 = loss % val(d1idx) ! group 1 diagonal - m12 = loss % val(d1idx + 1) ! group 1 right of diagonal (sorted by col) - m21 = loss % val(d2idx - 1) ! group 2 left of diagonal (sorted by col) - m22 = loss % val(d2idx) ! group 2 diagonal + m11 = A % val(d1idx) ! group 1 diagonal + m12 = A % val(d1idx + 1) ! group 1 right of diagonal (sorted by col) + m21 = A % val(d2idx - 1) ! group 2 left of diagonal (sorted by col) + m22 = A % val(d2idx) ! group 2 diagonal ! Analytically invert the diagonal dm = m11*m22 - m12*m21 @@ -461,17 +526,17 @@ contains ! Perform temporary sums, first do left of diag block, then right of diag block tmp1 = ZERO tmp2 = ZERO - do icol = loss % get_row(irow), d1idx - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = A % get_row(irow), d1idx - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) end do - do icol = loss % get_row(irow + 1), d2idx - 2 - tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = A % get_row(irow + 1), d2idx - 2 + tmp2 = tmp2 + A % val(icol)*x % val(A % get_col(icol)) end do - do icol = d1idx + 2, loss % get_row(irow + 1) - 1 - tmp1 = tmp1 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = d1idx + 2, A % get_row(irow + 1) - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) end do - do icol = d2idx + 1, loss % get_row(irow + 2) - 1 - tmp2 = tmp2 + loss % val(icol)*x % val(loss % get_col(icol)) + do icol = d2idx + 1, A % get_row(irow + 2) - 1 + tmp2 = tmp2 + A % val(icol)*x % val(A % get_col(icol)) end do ! Adjust with RHS vector @@ -492,7 +557,9 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) + its = igs !print *, igs, err, w +!read * if (err < tol) exit ! Calculation new overrelaxation parameter diff --git a/src/global.F90 b/src/global.F90 index 83d99e1f51..5f7011b900 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -358,6 +358,7 @@ module global ! Estimate of spectral radius of CMFD matrices and G-S tolerance real(8) :: cmfd_spectral = ZERO real(8) :: cmfd_gs_tol = 1.e-10_8 + real(8) :: cmfd_shift = INFINITY ! Information about state points to be written integer :: n_state_points = 0 From 9123098acc4ef0fbc39d542cf2ca08a209e75091 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 25 Sep 2013 09:16:41 -0400 Subject: [PATCH 008/187] added matrix copy and option to read in shift --- src/matrix_header.F90 | 31 +++++++++++++++++++++++++++++++ src/templates/cmfd_t.xml | 1 + 2 files changed, 32 insertions(+) diff --git a/src/matrix_header.F90 b/src/matrix_header.F90 index 51308123f5..40f515c28d 100644 --- a/src/matrix_header.F90 +++ b/src/matrix_header.F90 @@ -33,6 +33,7 @@ module matrix_header procedure :: vector_multiply => matrix_vector_multiply procedure :: search_indices => matrix_search_indices procedure :: write => matrix_write + procedure :: copy => matrix_copy end type matrix integer :: petsc_err @@ -410,4 +411,34 @@ contains end subroutine matrix_write +!=============================================================================== +! MATRIX_COPY copies a matrix +!=============================================================================== + + subroutine matrix_copy(self, mattocopy) + + class(Matrix) :: self + type(Matrix) :: mattocopy + + ! Set n and nnz + self % n_count = mattocopy % n_count + self % nz_count = mattocopy % nz_count + self % n = mattocopy % n + self % nnz = mattocopy % nnz + + ! Allocate vectors + if (.not.allocated(self % row)) allocate(self % row(self % n + 1)) + if (.not.allocated(self % col)) allocate(self % col(self % nnz)) + if (.not.allocated(self % val)) allocate(self % val(self % nnz)) + + ! Set PETSc active to false + self % petsc_active = .false. + + ! Copy over data + self % row = mattocopy % row + self % col = mattocopy % col + self % val = mattocopy % val + + end subroutine matrix_copy + end module matrix_header diff --git a/src/templates/cmfd_t.xml b/src/templates/cmfd_t.xml index 04326bfdc9..7003973679 100644 --- a/src/templates/cmfd_t.xml +++ b/src/templates/cmfd_t.xml @@ -32,5 +32,6 @@ + From f8fe3adf3e2f04aa666d98f62c251c24d9a361c6 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 25 Sep 2013 10:14:14 -0400 Subject: [PATCH 009/187] added relative tolerancing and now can be set on input --- src/cmfd_input.F90 | 7 +++-- src/cmfd_solver.F90 | 57 +++++++++++++++++++++++----------------- src/global.F90 | 7 +++-- src/templates/cmfd_t.xml | 5 +++- 4 files changed, 47 insertions(+), 29 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 444c479599..2b6154b026 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -199,10 +199,13 @@ contains cmfd_display = '' end if - ! Read in spectral radius estimate and G-S tolerance + ! Read in spectral radius estimate and tolerances cmfd_spectral = spectral_ - cmfd_gs_tol = gs_tol_ if (shift_ /= ZERO) cmfd_shift = shift_ + cmfd_ktol = ktol_ + cmfd_stol = stol_ + cmfd_atoli = atoli_ + cmfd_rtoli = rtoli_ ! Create tally objects call create_cmfd_tally() diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 2fc74df039..972f3bacee 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -17,12 +17,12 @@ module cmfd_solver real(8) :: k_s ! shift of eigenvalue real(8) :: k_ln ! new shifted eigenvalue real(8) :: k_lo ! old shifted eigenvalue - real(8) :: ktol = 1.e-8_8 ! tolerance on keff - real(8) :: stol = 1.e-8_8 ! tolerance on source real(8) :: norm_n ! current norm of source vector real(8) :: norm_o ! old norm of source vector real(8) :: kerr ! error in keff real(8) :: serr ! error in source + real(8) :: ktol ! tolerance on keff + real(8) :: stol ! tolerance on source logical :: adjoint_calc ! run an adjoint calculation type(Matrix) :: loss ! cmfd loss matrix type(Matrix) :: prod ! cmfd prod matrix @@ -35,12 +35,13 @@ module cmfd_solver ! CMFD linear solver interface procedure(linsolve), pointer :: cmfd_linsolver => null() abstract interface - subroutine linsolve(A, b, x, i) + subroutine linsolve(A, b, x, tol, i) import :: Matrix import :: Vector type(Matrix) :: A type(Vector) :: b type(Vector) :: x + real(8) :: tol integer :: i end subroutine linsolve end interface @@ -51,20 +52,14 @@ contains ! CMFD_SOLVER_EXECUTE sets up and runs power iteration solver for CMFD !=============================================================================== - subroutine cmfd_solver_execute(k_tol, s_tol, adjoint) + subroutine cmfd_solver_execute(adjoint) use global, only: cmfd_adjoint_type, time_cmfdbuild, time_cmfdsolve - real(8), optional :: k_tol ! tolerance on keff - real(8), optional :: s_tol ! tolerance on source logical, optional :: adjoint ! adjoint calc logical :: physical_adjoint = .false. - ! Set tolerances if present - if (present(k_tol)) ktol = k_tol - if (present(s_tol)) stol = s_tol - ! Check for adjoint execution adjoint_calc = .false. if (present(adjoint)) adjoint_calc = adjoint @@ -107,7 +102,8 @@ contains use constants, only: ONE, ZERO use error, only: fatal_error - use global, only: cmfd, cmfd_write_matrices, message, cmfd_shift, keff + use global, only: cmfd, cmfd_write_matrices, message, cmfd_shift, keff, & + cmfd_ktol, cmfd_stol logical :: adjoint @@ -167,8 +163,11 @@ contains case default message = 'Must use PETSc for more than 2 groups' call fatal_error() - end select - + end select + + ! Set tolerances + ktol = cmfd_ktol + stol = cmfd_stol end subroutine init_data @@ -200,15 +199,24 @@ contains subroutine execute_power_iter() use constants, only: ONE + use global, only: cmfd_atoli, cmfd_rtoli integer :: i ! iteration counter integer :: innerits ! # of inner iterations integer :: totalits ! total number of inners + real(8) :: atoli ! absolute minimum tolerance + real(8) :: rtoli ! relative tolerance based on source conv + real(8) :: toli ! the current tolerance of inners type(Matrix) :: Ms ! Reset convergence flag iconv = .false. + ! Set up tolerances + atoli = cmfd_atoli + rtoli = cmfd_rtoli + toli = rtoli*100._8 + ! Perform shift call wielandt_shift(Ms) totalits = 0 @@ -223,7 +231,7 @@ contains s_o % val = s_o % val / k_lo ! Compute new flux vector - call cmfd_linsolver(Ms, s_o, phi_n, innerits) + call cmfd_linsolver(Ms, s_o, phi_n, toli, innerits) ! Compute new source vector call prod % vector_multiply(phi_n, s_n) @@ -249,9 +257,12 @@ contains k_o = k_n k_lo = k_ln norm_o = norm_n -read* + + ! Get new tolerance for inners + toli = max(atoli, rtoli*serr) + end do -print *, 'TOTAL INNER:', totalits + ! Destroy shifted matrix call Ms % destroy() @@ -331,14 +342,15 @@ print *, 'TOTAL INNER:', totalits ! CMFD_LINSOLVER_1g solves the CMFD linear system !=============================================================================== - subroutine cmfd_linsolver_1g(A, b, x, its) + subroutine cmfd_linsolver_1g(A, b, x, tol, its) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_spectral, cmfd_gs_tol + use global, only: cmfd, cmfd_spectral type(Matrix) :: A ! coefficient matrix type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector + real(8) :: tol ! tolerance on final error integer :: its ! number of inner iterations integer :: g ! group index @@ -359,12 +371,10 @@ print *, 'TOTAL INNER:', totalits real(8) :: tmp1 ! temporary sum g1 real(8) :: x1 ! new g1 value of x real(8) :: err ! error in convergence of solution - real(8) :: tol ! tolerance on final error real(8) :: w ! overrelaxation parameter type(Vector) :: tmpx ! temporary solution vector - ! Set tolerance and overrelaxation parameter - tol = cmfd_gs_tol + ! Set overrelaxation parameter w = ONE ! Dimensions @@ -433,7 +443,7 @@ print *, 'TOTAL INNER:', totalits ! CMFD_LINSOLVER_2G solves the CMFD linear system !=============================================================================== - subroutine cmfd_linsolver_2g(A, b, x, its) + subroutine cmfd_linsolver_2g(A, b, x, tol, its) use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral @@ -441,6 +451,7 @@ print *, 'TOTAL INNER:', totalits type(Matrix) :: A ! coefficient matrix type(Vector) :: b ! right hand side vector type(Vector) :: x ! unknown vector + real(8) :: tol ! tolerance on final error integer :: its ! number of inner iterations integer :: g ! group index @@ -473,12 +484,10 @@ print *, 'TOTAL INNER:', totalits real(8) :: x1 ! new g1 value of x real(8) :: x2 ! new g2 value of x real(8) :: err ! error in convergence of solution - real(8) :: tol ! tolerance on final error real(8) :: w ! overrelaxation parameter type(Vector) :: tmpx ! temporary solution vector ! Set tolerance and overrelaxation parameter - tol = 1.e-10_8 w = ONE ! Dimensions diff --git a/src/global.F90 b/src/global.F90 index 5f7011b900..5f0f4f2e6b 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -355,10 +355,13 @@ module global ! CMFD display info character(len=25) :: cmfd_display - ! Estimate of spectral radius of CMFD matrices and G-S tolerance + ! Estimate of spectral radius of CMFD matrices and tolerances real(8) :: cmfd_spectral = ZERO - real(8) :: cmfd_gs_tol = 1.e-10_8 real(8) :: cmfd_shift = INFINITY + real(8) :: cmfd_ktol = 1.e-8_8 + real(8) :: cmfd_stol = 1.e-8_8 + real(8) :: cmfd_atoli = 1.e-10_8 + real(8) :: cmfd_rtoli = 1.e-5_8 ! Information about state points to be written integer :: n_state_points = 0 diff --git a/src/templates/cmfd_t.xml b/src/templates/cmfd_t.xml index 7003973679..f372e25b7c 100644 --- a/src/templates/cmfd_t.xml +++ b/src/templates/cmfd_t.xml @@ -31,7 +31,10 @@ - + + + + From ccfc73e42232b2100112c952224142af6c0c208d Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 25 Sep 2013 10:29:34 -0400 Subject: [PATCH 010/187] removed copy of loss matrix for shift because we can overwrite loss matrix --- src/cmfd_solver.F90 | 23 +++++++---------------- 1 file changed, 7 insertions(+), 16 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 972f3bacee..edcbaf8db2 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -207,7 +207,6 @@ contains real(8) :: atoli ! absolute minimum tolerance real(8) :: rtoli ! relative tolerance based on source conv real(8) :: toli ! the current tolerance of inners - type(Matrix) :: Ms ! Reset convergence flag iconv = .false. @@ -218,7 +217,7 @@ contains toli = rtoli*100._8 ! Perform shift - call wielandt_shift(Ms) + call wielandt_shift() totalits = 0 ! Begin power iteration @@ -231,7 +230,7 @@ contains s_o % val = s_o % val / k_lo ! Compute new flux vector - call cmfd_linsolver(Ms, s_o, phi_n, toli, innerits) + call cmfd_linsolver(loss, s_o, phi_n, toli, innerits) ! Compute new source vector call prod % vector_multiply(phi_n, s_n) @@ -263,34 +262,26 @@ contains end do - ! Destroy shifted matrix - call Ms % destroy() - end subroutine execute_power_iter !=============================================================================== ! WIELANDT SHIFT !=============================================================================== - subroutine wielandt_shift(Ms) + subroutine wielandt_shift() use constants, only: ONE - type(Matrix) :: Ms - integer :: irow ! row counter integer :: icol ! col counter integer :: jcol ! current col index in prod matrix - ! copy loss matrix - call Ms % copy(loss) - ! perform subtraction jcol = 1 - ROWS: do irow = 1, Ms % n - COLS: do icol = Ms % get_row(irow), Ms % get_row(irow + 1) - 1 - if (Ms % get_col(icol) == prod % get_col(jcol)) then - Ms % val(icol) = Ms % val(icol) - ONE/k_s*prod % val(jcol) + ROWS: do irow = 1, loss % n + COLS: do icol = loss % get_row(irow), loss % get_row(irow + 1) - 1 + if (loss % get_col(icol) == prod % get_col(jcol)) then + loss % val(icol) = loss % val(icol) - ONE/k_s*prod % val(jcol) jcol = jcol + 1 end if end do COLS From 61f94289e6cd42e6349e87c7dc717cd4a610fead Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 25 Sep 2013 12:56:50 -0400 Subject: [PATCH 011/187] updated cmfd test cases for tighter tolerances --- tests/test_cmfd_feed/cmfd.xml | 3 ++- tests/test_cmfd_nofeed/cmfd.xml | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/tests/test_cmfd_feed/cmfd.xml b/tests/test_cmfd_feed/cmfd.xml index 891d264167..390e558639 100644 --- a/tests/test_cmfd_feed/cmfd.xml +++ b/tests/test_cmfd_feed/cmfd.xml @@ -12,6 +12,7 @@ dominance power true - 1.e-15 + 1.e-15 + 1.e-20 diff --git a/tests/test_cmfd_nofeed/cmfd.xml b/tests/test_cmfd_nofeed/cmfd.xml index 710b3a7d16..4a4bf30108 100644 --- a/tests/test_cmfd_nofeed/cmfd.xml +++ b/tests/test_cmfd_nofeed/cmfd.xml @@ -12,6 +12,7 @@ dominance power false - 1.e-15 + 1.e-15 + 1.e-20 From d09a98ca131abd74c05fb6aeca4dacfb85e192d3 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 27 Sep 2013 16:55:39 -0400 Subject: [PATCH 012/187] cmfd shift cant be infinity due to FPE, making it very large and fixed matrix subtraction in solver --- src/cmfd_solver.F90 | 3 ++- src/global.F90 | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index edcbaf8db2..614362e40d 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -280,7 +280,8 @@ contains jcol = 1 ROWS: do irow = 1, loss % n COLS: do icol = loss % get_row(irow), loss % get_row(irow + 1) - 1 - if (loss % get_col(icol) == prod % get_col(jcol)) then + if (loss % get_col(icol) == prod % get_col(jcol) .and. & + jcol < prod % get_row(irow + 1)) then loss % val(icol) = loss % val(icol) - ONE/k_s*prod % val(jcol) jcol = jcol + 1 end if diff --git a/src/global.F90 b/src/global.F90 index 5f0f4f2e6b..46f7ba562b 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -357,7 +357,7 @@ module global ! Estimate of spectral radius of CMFD matrices and tolerances real(8) :: cmfd_spectral = ZERO - real(8) :: cmfd_shift = INFINITY + real(8) :: cmfd_shift = 1.e6 real(8) :: cmfd_ktol = 1.e-8_8 real(8) :: cmfd_stol = 1.e-8_8 real(8) :: cmfd_atoli = 1.e-10_8 From 7bb1df8c7402f7c637530d4ba4695625e898e80a Mon Sep 17 00:00:00 2001 From: walshjon Date: Thu, 21 Nov 2013 16:55:54 -0500 Subject: [PATCH 013/187] added res scat variables to template files --- src/templates/settings.rnc | 13 +++++++++++++ src/templates/settings_t.xml | 10 ++++++++++ 2 files changed, 23 insertions(+) diff --git a/src/templates/settings.rnc b/src/templates/settings.rnc index 1c7cabafab..e2f5757ad0 100644 --- a/src/templates/settings.rnc +++ b/src/templates/settings.rnc @@ -112,5 +112,18 @@ element settings { attribute lower_left { list { xsd:double+ } }) & (element upper_right { list { xsd:double+ } } | attribute upper_right { list { xsd:double+ } }) + }? & + + element resonance_scattering { + (element method { xsd:positiveInteger } | + attribute method { xsd:positiveInteger }) & + (element scatterer { xsd:positiveInteger } | + attribute scatterer { xsd:positiveInteger }) & + (element xs_label { xsd:positiveInteger } | + attribute xs_label { xsd:positiveInteger }) & + (element xs_label_0K { xsd:positiveInteger } | + attribute xs_label_0K { xsd:positiveInteger }) & + (element E_min { xsd:double } | attribute E_min { xsd:double }) & + (element E_max { xsd:double } | attribute E_max { xsd:double }) }? } diff --git a/src/templates/settings_t.xml b/src/templates/settings_t.xml index 02ee8a0f12..c00826f817 100644 --- a/src/templates/settings_t.xml +++ b/src/templates/settings_t.xml @@ -42,6 +42,15 @@ + + + + + + + + + @@ -63,6 +72,7 @@ + From 882d7c3cb78e3ce2e79d5649de9856b3c14c3eb8 Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 22 Nov 2013 09:23:51 -0500 Subject: [PATCH 014/187] added type for 0K nuclides --- src/ace_header.F90 | 57 ++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 57 insertions(+) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 5e2f39a007..0048d455b5 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -143,6 +143,40 @@ module ace_header procedure :: clear => nuclide_clear ! Deallocates Nuclide end type Nuclide +!=============================================================================== +! NUCLIDE_0K contains all the data for an ACE-format continuous-energy cross +! section that is required for treatment of resonance scattering. The ACE format +! (A Compact ENDF format) is used in MCNP and several other Monte Carlo codes. +!=============================================================================== + + type Nuclide_0K + character(10) :: name ! name of nuclide, e.g. 92235.03c + integer :: zaid ! Z and A identifier, e.g. 92235 + integer :: listing ! index in xs_listings + real(8) :: awr ! weight of nucleus in neutron masses + real(8) :: kT ! temperature in MeV (k*T) + + ! Energy grid information + integer :: n_grid ! # of nuclide grid points + integer, allocatable :: grid_index(:) ! pointers to union grid + real(8), allocatable :: energy(:) ! energy values corresponding to xs + + ! CDF of neutron velocity x cross section + real(8), allocatable :: xs_cdf(:) + + ! Microscopic elastic cross section + real(8), allocatable :: elastic(:) ! elastic scattering + + ! Unresolved resonance data + logical :: urr_present + integer :: urr_inelastic + type(UrrData), pointer :: urr_data => null() + + ! Type-Bound procedures + contains + procedure :: clear => nuclide_clear ! Deallocates Nuclide + end type Nuclide_0K + !=============================================================================== ! SALPHABETA contains S(a,b) data for thermal neutron scattering, typically off ! of light isotopes such as water, graphite, Be, etc @@ -361,4 +395,27 @@ module ace_header end subroutine nuclide_clear +!=============================================================================== +! NUCLIDE_0K_CLEAR resets and deallocates data in Nuclide_0K. +!=============================================================================== + + subroutine nuclide_0K_clear(this) + + class(Nuclide_0K), intent(inout) :: this ! The Nuclide object to clear + + integer :: i ! Loop counter + + if (allocated(this % grid_index)) & + deallocate(this % grid_index) + + if (allocated(this % energy)) & + deallocate(this % elastic, this % xs_cdf) + + if (associated(this % urr_data)) then + call this % urr_data % clear() + deallocate(this % urr_data) + end if + + end subroutine nuclide_0K_clear + end module ace_header From 46d23f60a28f60e445af5caed6fb34e4eb6ec574 Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 22 Nov 2013 09:59:33 -0500 Subject: [PATCH 015/187] added 0K xs global variables --- src/global.F90 | 18 ++++++++++++++---- 1 file changed, 14 insertions(+), 4 deletions(-) diff --git a/src/global.F90 b/src/global.F90 index 637ea315e6..4b0a4b1d01 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -1,7 +1,7 @@ module global use ace_header, only: Nuclide, SAlphaBeta, xsListing, NuclideMicroXS, & - MaterialMacroXS + MaterialMacroXS, Nuclide_0K use bank_header, only: Bank use cmfd_header use constants @@ -61,6 +61,7 @@ module global ! Cross section arrays type(Nuclide), allocatable, target :: nuclides(:) ! Nuclide cross-sections + type(Nuclide_0K), allocatable, target :: nuclides_0K(:) ! 0K nuclides type(SAlphaBeta), allocatable, target :: sab_tables(:) ! S(a,b) tables type(XsListing), allocatable, target :: xs_listings(:) ! cross_sections.xml listings @@ -68,9 +69,10 @@ module global type(NuclideMicroXS), allocatable :: micro_xs(:) ! Cache for each nuclide type(MaterialMacroXS) :: material_xs ! Cache for current material - integer :: n_nuclides_total ! Number of nuclide cross section tables - integer :: n_sab_tables ! Number of S(a,b) thermal scattering tables - integer :: n_listings ! Number of listings in cross_sections.xml + integer :: n_nuclides_total ! Number of nuclide cross section tables + integer :: n_nuclides_0K_total ! Number of 0K nuclide cross section tables + integer :: n_sab_tables ! Number of S(a,b) thermal scattering tables + integer :: n_listings ! Number of listings in cross_sections.xml ! Dictionaries to look up cross sections and listings type(DictCharInt) :: nuclide_dict @@ -401,6 +403,14 @@ contains end do deallocate(nuclides) end if + ! Deallocate 0K cross section data, listings + if (allocated(nuclides_0K)) then + ! First call the clear routines + do i = 1, size(nuclides_0K) + call nuclides_0K(i) % clear() + end do + deallocate(nuclides_0K) + end if if (allocated(sab_tables)) deallocate(sab_tables) if (allocated(xs_listings)) deallocate(xs_listings) if (allocated(micro_xs)) deallocate(micro_xs) From f9311b5780ffb48a31cbe106a251c31e0f5df23b Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 22 Nov 2013 10:00:32 -0500 Subject: [PATCH 016/187] modified template files to allow for multiple scatterers --- src/templates/settings.rnc | 16 ++++++++-------- src/templates/settings_t.xml | 8 ++++---- 2 files changed, 12 insertions(+), 12 deletions(-) diff --git a/src/templates/settings.rnc b/src/templates/settings.rnc index e2f5757ad0..f846e950d3 100644 --- a/src/templates/settings.rnc +++ b/src/templates/settings.rnc @@ -115,14 +115,14 @@ element settings { }? & element resonance_scattering { - (element method { xsd:positiveInteger } | - attribute method { xsd:positiveInteger }) & - (element scatterer { xsd:positiveInteger } | - attribute scatterer { xsd:positiveInteger }) & - (element xs_label { xsd:positiveInteger } | - attribute xs_label { xsd:positiveInteger }) & - (element xs_label_0K { xsd:positiveInteger } | - attribute xs_label_0K { xsd:positiveInteger }) & + (element method { xsd:string { maxLength = "16" } } | + attribute method { xsd:string { maxLength = "16" } }) & + (element scatterer { list { xsd:string { maxLength = "12" }+ } } | + attribute scatterer { list { xsd:string { maxLength = "12" }+ } }) & + (element xs_label { list { xsd:string { maxLength = "12" }+ } } | + attribute xs_label { list { xsd:string { maxLength = "12" }+ } }) & + (element xs_label_0K { list { xsd:string { maxLength = "12" }+ } } | + attribute xs_label_0K { list { xsd:string { maxLength = "12" }+ } }) & (element E_min { xsd:double } | attribute E_min { xsd:double }) & (element E_max { xsd:double } | attribute E_max { xsd:double }) }? diff --git a/src/templates/settings_t.xml b/src/templates/settings_t.xml index c00826f817..7fbf624d2f 100644 --- a/src/templates/settings_t.xml +++ b/src/templates/settings_t.xml @@ -43,10 +43,10 @@ - - - - + + + + From 66aff51ccbddc44a664cbcd3ee45c475ba58e3f2 Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 22 Nov 2013 10:20:23 -0500 Subject: [PATCH 017/187] added logical indicating resonant nuclides --- src/ace_header.F90 | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 0048d455b5..1be53134a3 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -108,6 +108,9 @@ module ace_header real(8), allocatable :: absorption(:) ! absorption (MT > 100) real(8), allocatable :: heating(:) ! heating + ! Resonance scattering info + logical :: resonant ! is nuclide to be treated as a resonant scatterer? + ! Fission information logical :: fissionable ! nuclide is fissionable? logical :: has_partial_fission ! nuclide has partial fission reactions? From e1cedd23b953290e4cf72bd8c259902f3ea3fd5f Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 22 Nov 2013 11:55:41 -0500 Subject: [PATCH 018/187] first crack at weight correction method (WCM) target sampling --- src/physics.F90 | 170 ++++++++++++++++++++++++++++++++++++------------ 1 file changed, 130 insertions(+), 40 deletions(-) diff --git a/src/physics.F90 b/src/physics.F90 index fb1f891943..411722efeb 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -627,14 +627,19 @@ contains !=============================================================================== ! SAMPLE_TARGET_VELOCITY samples the target velocity based on the free gas ! scattering formulation used by most Monte Carlo codes. Excellent documentation -! for this method can be found in FRA-TM-123. +! for this method can be found in FRA-TM-123. Methods for correctly accounting +! for the energy dependence of cross sections in treating resonance elastic +! scattering such as the DBRC, WCM, and a new, accelerated scheme are also +! implemented here. !=============================================================================== - subroutine sample_target_velocity(nuc, v_target, E, uvw) + subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt) type(Nuclide), pointer :: nuc real(8), intent(out) :: v_target(3) + real(8), intent(in) :: v_neut(3) real(8), intent(in) :: E + real(8), intent(inout) :: wgt real(8), intent(in) :: uvw(3) real(8) :: kT ! equilibrium temperature of target in MeV @@ -647,62 +652,147 @@ contains real(8) :: beta_vt ! beta * speed of target real(8) :: beta_vt_sq ! (beta * speed of target)^2 real(8) :: vt ! speed of target + real(8) :: E_old ! tmp storage of current energy + logical :: reject ! resample if true + real(8) :: E_rel ! trial relative energy + real(8) :: xs_0K ! 0K xs at E_rel + real(8) :: wcf ! weight correction factor ! Determine equilibrium temperature in MeV kT = nuc % kT - ! Check if energy is above threshold - if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then - v_target = ZERO - return + ! Check if nuclide is a resonant scatterer and which sampling scheme + ! to use based on neutron energy + if (nuc % resonant) then + if (E > E_max_res_scat) then + v_target = ZERO + return + else if (E < E_min_res_scat) then + target_sampling = 'cxs' + end if + else + if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then + v_target = ZERO + return + else + target_sampling = 'cxs' end if - ! calculate beta - beta_vn = sqrt(nuc%awr * E / kT) + E_old = E - alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) + ! reject unless criteria are satisfied + reject = .true. - do - ! Sample two random numbers - r1 = prn() - r2 = prn() + select case (target_sampling) + case ('svt') + ! calculate beta, alpha + beta_vn = sqrt(nuc%awr * E / kT) + alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler + do + ! Sample two random numbers + r1 = prn() + r2 = prn() - beta_vt_sq = -log(r1*r2) + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler + beta_vt_sq = -log(r1*r2) - c = cos(PI/TWO * prn()) - beta_vt_sq = -log(r1) - log(r2)*c*c - end if + else + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) + c = cos(PI/TWO * prn()) + beta_vt_sq = -log(r1) - log(r2)*c*c + end if - ! Sample cosine of angle between neutron and target velocity - mu = TWO*prn() - ONE + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) - ! Determine rejection probability - accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) + ! Sample cosine of angle between neutron and target velocity + mu = TWO*prn() - ONE - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) exit - end do + ! Determine rejection probability + accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & + /(beta_vn + beta_vt) - ! determine speed of target nucleus - vt = sqrt(beta_vt_sq*kT/nuc % awr) + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) exit + end do - ! determine velocity vector of target nucleus based on neutron's velocity - ! and the sampled angle between them - v_target = vt * rotate_angle(uvw, mu) + ! determine speed of target nucleus + vt = sqrt(beta_vt_sq*kT/nuc % awr) + + ! determine velocity vector of target nucleus based on neutron's velocity + ! and the sampled angle between them + v_target = vt * rotate_angle(uvw, mu) + + case ('wcm') + ! calculate beta, alpha + beta_vn = sqrt(nuc%awr * E / kT) + alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) + + do + ! Sample two random numbers + r1 = prn() + r2 = prn() + + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler + + beta_vt_sq = -log(r1*r2) + + else + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler + + c = cos(PI/TWO * prn()) + beta_vt_sq = -log(r1) - log(r2)*c*c + end if + + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) + + ! Sample cosine of angle between neutron and target velocity + mu = TWO*prn() - ONE + + ! Determine rejection probability + accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & + /(beta_vn + beta_vt) + + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) exit + end do + + ! determine speed of target nucleus + vt = sqrt(beta_vt_sq*kT/nuc % awr) + + ! determine velocity vector of target nucleus based on neutron's velocity + ! and the sampled angle between them + v_target = vt * rotate_angle(uvw, mu) + + ! adjust particle weight + E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) + E = E_rel + if (grid_method == GRID_UNION) call find_energy_index(E) + call calculate_elastic_xs(nuc % i_nuclide_0K, NONE) + xs_0K = micro_xs(i_nuclide_0K) % elastic + wcf = xs_0K / micro_xs(i_nuclide) % elastic + wgt = wcf * wgt + + E = E_old + + case default + message = "Not a recognized resonance scattering treatment!" + call fatal_error() + end select end subroutine sample_target_velocity From 0a106a6eaee718b6fa52ce90cf9ad6887bb3ca67 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 09:49:22 -0800 Subject: [PATCH 019/187] allow for diff E ranges and methods for each scatterer --- src/templates/settings.rnc | 10 ++++++---- src/templates/settings_t.xml | 6 +++--- 2 files changed, 9 insertions(+), 7 deletions(-) diff --git a/src/templates/settings.rnc b/src/templates/settings.rnc index f846e950d3..735fc6c4f3 100644 --- a/src/templates/settings.rnc +++ b/src/templates/settings.rnc @@ -115,15 +115,17 @@ element settings { }? & element resonance_scattering { - (element method { xsd:string { maxLength = "16" } } | - attribute method { xsd:string { maxLength = "16" } }) & + (element method { list { xsd:string { maxLength = "16" }+ } | + attribute method { list { xsd:string { maxLength = "16" }+ }) & (element scatterer { list { xsd:string { maxLength = "12" }+ } } | attribute scatterer { list { xsd:string { maxLength = "12" }+ } }) & (element xs_label { list { xsd:string { maxLength = "12" }+ } } | attribute xs_label { list { xsd:string { maxLength = "12" }+ } }) & (element xs_label_0K { list { xsd:string { maxLength = "12" }+ } } | attribute xs_label_0K { list { xsd:string { maxLength = "12" }+ } }) & - (element E_min { xsd:double } | attribute E_min { xsd:double }) & - (element E_max { xsd:double } | attribute E_max { xsd:double }) + (element E_min { list { xsd:double+ } } | + attribute E_min { list { xsd:double+ } }) & + (element E_max { list { xsd:double+ } } | + attribute E_max { list { xsd:double+ } }) }? } diff --git a/src/templates/settings_t.xml b/src/templates/settings_t.xml index 7fbf624d2f..dbceb7550d 100644 --- a/src/templates/settings_t.xml +++ b/src/templates/settings_t.xml @@ -43,12 +43,12 @@ - + - - + + From 9d6d66e33c4cdb4f4136801f72861fed76948946 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 09:51:09 -0800 Subject: [PATCH 020/187] added resonance scattering header --- src/res_scat_header.F90 | 60 +++++++++++++++++++++++++++++++++++++++++ 1 file changed, 60 insertions(+) create mode 100644 src/res_scat_header.F90 diff --git a/src/res_scat_header.F90 b/src/res_scat_header.F90 new file mode 100644 index 0000000000..3007acc809 --- /dev/null +++ b/src/res_scat_header.F90 @@ -0,0 +1,60 @@ +module res_scat_header + + implicit none + private + + type, public :: ResScatterer + + character(10) :: name ! name of nuclide, e.g. 92235.03c + integer :: zaid ! Z and A identifier, e.g. 92235 + integer :: listing ! index in xs_listings + real(8) :: awr ! weight of nucleus in neutron masses + real(8) :: kT ! temperature in MeV (k*T) + + ! Energy grid information + integer :: n_grid + integer, allocatable :: grid_index(:) ! pointers to union grid + real(8), allocatable :: energy(:) ! energy values corresponding to xs + + ! CDF of neutron velocity x cross section + real(8), allocatable :: xs_cdf(:) + + ! Microscopic elastic cross section + real(8), allocatable :: elastic(:) + + ! lower cutoff energy for resonance scattering + real(8) :: E_min + + ! upper cutoff energy for resonance scattering + real(8) :: E_max + + ! target velocity sampling scheme + character(16) :: scheme + + ! Type-Bound procedures + contains + procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer + + end type ResScatterer + +contains + +!=============================================================================== +! RES_SCATTERER_CLEAR resets and deallocates data in ResScatterer. +!=============================================================================== + + subroutine res_scatterer_clear(this) + + class(ResScatterer), intent(inout) :: this ! the ResScatterer object to clear + + integer :: i ! Loop counter + + if (allocated(this % grid_index)) & + deallocate(this % grid_index) + + if (allocated(this % energy)) & + deallocate(this % elastic, this % xs_cdf, this % energy) + + end subroutine res_scatterer_clear + +end module res_scat_header From 03edddff8a579051fee61dc60e9fae792b6040c8 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 09:52:52 -0800 Subject: [PATCH 021/187] cleaned up variables to switch to the ones defined in res_scat_header --- src/ace_header.F90 | 58 +--------- src/global.F90 | 35 ++++-- src/physics.F90 | 271 +++++++++++++++++++++++---------------------- 3 files changed, 162 insertions(+), 202 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 1be53134a3..4f0bb6e5d4 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -110,6 +110,7 @@ module ace_header ! Resonance scattering info logical :: resonant ! is nuclide to be treated as a resonant scatterer? + integer :: i_0K ! index into 0K nuclides (resonant scatterers) ! Fission information logical :: fissionable ! nuclide is fissionable? @@ -146,40 +147,6 @@ module ace_header procedure :: clear => nuclide_clear ! Deallocates Nuclide end type Nuclide -!=============================================================================== -! NUCLIDE_0K contains all the data for an ACE-format continuous-energy cross -! section that is required for treatment of resonance scattering. The ACE format -! (A Compact ENDF format) is used in MCNP and several other Monte Carlo codes. -!=============================================================================== - - type Nuclide_0K - character(10) :: name ! name of nuclide, e.g. 92235.03c - integer :: zaid ! Z and A identifier, e.g. 92235 - integer :: listing ! index in xs_listings - real(8) :: awr ! weight of nucleus in neutron masses - real(8) :: kT ! temperature in MeV (k*T) - - ! Energy grid information - integer :: n_grid ! # of nuclide grid points - integer, allocatable :: grid_index(:) ! pointers to union grid - real(8), allocatable :: energy(:) ! energy values corresponding to xs - - ! CDF of neutron velocity x cross section - real(8), allocatable :: xs_cdf(:) - - ! Microscopic elastic cross section - real(8), allocatable :: elastic(:) ! elastic scattering - - ! Unresolved resonance data - logical :: urr_present - integer :: urr_inelastic - type(UrrData), pointer :: urr_data => null() - - ! Type-Bound procedures - contains - procedure :: clear => nuclide_clear ! Deallocates Nuclide - end type Nuclide_0K - !=============================================================================== ! SALPHABETA contains S(a,b) data for thermal neutron scattering, typically off ! of light isotopes such as water, graphite, Be, etc @@ -398,27 +365,4 @@ module ace_header end subroutine nuclide_clear -!=============================================================================== -! NUCLIDE_0K_CLEAR resets and deallocates data in Nuclide_0K. -!=============================================================================== - - subroutine nuclide_0K_clear(this) - - class(Nuclide_0K), intent(inout) :: this ! The Nuclide object to clear - - integer :: i ! Loop counter - - if (allocated(this % grid_index)) & - deallocate(this % grid_index) - - if (allocated(this % energy)) & - deallocate(this % elastic, this % xs_cdf) - - if (associated(this % urr_data)) then - call this % urr_data % clear() - deallocate(this % urr_data) - end if - - end subroutine nuclide_0K_clear - end module ace_header diff --git a/src/global.F90 b/src/global.F90 index 4b0a4b1d01..02f618fbb7 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -1,7 +1,7 @@ module global use ace_header, only: Nuclide, SAlphaBeta, xsListing, NuclideMicroXS, & - MaterialMacroXS, Nuclide_0K + MaterialMacroXS use bank_header, only: Bank use cmfd_header use constants @@ -11,6 +11,7 @@ module global use mesh_header, only: StructuredMesh use plot_header, only: ObjectPlot use set_header, only: SetInt + use res_scat_header, only: ResScatterer use source_header, only: ExtSource use tally_header, only: TallyObject, TallyMap, TallyResult use timer_header, only: Timer @@ -61,7 +62,6 @@ module global ! Cross section arrays type(Nuclide), allocatable, target :: nuclides(:) ! Nuclide cross-sections - type(Nuclide_0K), allocatable, target :: nuclides_0K(:) ! 0K nuclides type(SAlphaBeta), allocatable, target :: sab_tables(:) ! S(a,b) tables type(XsListing), allocatable, target :: xs_listings(:) ! cross_sections.xml listings @@ -70,7 +70,6 @@ module global type(MaterialMacroXS) :: material_xs ! Cache for current material integer :: n_nuclides_total ! Number of nuclide cross section tables - integer :: n_nuclides_0K_total ! Number of 0K nuclide cross section tables integer :: n_sab_tables ! Number of S(a,b) thermal scattering tables integer :: n_listings ! Number of listings in cross_sections.xml @@ -369,7 +368,19 @@ module global logical :: output_summary = .false. logical :: output_xs = .false. logical :: output_tallies = .true. + + ! ============================================================================ + ! RESONANCE SCATTERING VARIABLES + ! Is resonance scattering treated? + logical :: treat_res_scat = .false. + + ! Number of resonant scatterers + integer :: n_res_scatterers_total + + ! Main object + type(ResScatterer), allocatable, target :: res_scatterers(:) + !$omp threadprivate(micro_xs, material_xs, fission_bank, n_bank, message, & !$omp& trace, thread_id, current_work, matching_bins) @@ -403,18 +414,20 @@ contains end do deallocate(nuclides) end if - ! Deallocate 0K cross section data, listings - if (allocated(nuclides_0K)) then - ! First call the clear routines - do i = 1, size(nuclides_0K) - call nuclides_0K(i) % clear() - end do - deallocate(nuclides_0K) - end if + if (allocated(sab_tables)) deallocate(sab_tables) if (allocated(xs_listings)) deallocate(xs_listings) if (allocated(micro_xs)) deallocate(micro_xs) + ! Deallocate resonance scattering data + if (allocated(res_scatterers)) then + ! First call the clear routines + do i = 1, size(res_scatterers) + call res_scatterers(i) % clear() + end do + deallocate(res_scatterers) + end if + ! Deallocate external source if (allocated(external_source % params_space)) & deallocate(external_source % params_space) diff --git a/src/physics.F90 b/src/physics.F90 index 411722efeb..abe1c3303d 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,6 +2,7 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants + use cross_section, only: elastic_0K_xs use endf, only: reaction_name use error, only: fatal_error, warning use fission, only: nu_total, nu_delayed @@ -14,6 +15,7 @@ module physics use particle_header, only: Particle use particle_restart_write, only: write_particle_restart use random_lcg, only: prn + use res_scat_header, only: ResScatterer use search, only: binary_search use string, only: to_str @@ -344,7 +346,7 @@ contains ! Perform collision physics for elastic scattering call elastic_scatter(i_nuclide, rxn, & - p % E, p % coord0 % uvw, p % mu) + p % E, p % coord0 % uvw, p % mu, p % wgt) end if p % event_MT = ELASTIC @@ -403,13 +405,14 @@ contains ! target. !=============================================================================== - subroutine elastic_scatter(i_nuclide, rxn, E, uvw, mu_lab) + subroutine elastic_scatter(i_nuclide, rxn, E, uvw, mu_lab, wgt) integer, intent(in) :: i_nuclide type(Reaction), pointer :: rxn real(8), intent(inout) :: E real(8), intent(inout) :: uvw(3) real(8), intent(out) :: mu_lab + real(8), intent(inout) :: wgt real(8) :: awr ! atomic weight ratio of target real(8) :: mu_cm ! cosine of polar angle in center-of-mass @@ -432,7 +435,7 @@ contains ! Sample velocity of target nucleus if (.not. micro_xs(i_nuclide) % use_ptable) then - call sample_target_velocity(nuc, v_t, E, uvw) + call sample_target_velocity(nuc, v_t, E, uvw, v_n, wgt, micro_xs(i_nuclide) % elastic) else v_t = ZERO end if @@ -633,14 +636,16 @@ contains ! implemented here. !=============================================================================== - subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt) + subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt, xs_eff) - type(Nuclide), pointer :: nuc - real(8), intent(out) :: v_target(3) - real(8), intent(in) :: v_neut(3) - real(8), intent(in) :: E - real(8), intent(inout) :: wgt - real(8), intent(in) :: uvw(3) + type(Nuclide), pointer :: nuc ! target nuclide at temperature + type(ResScatterer), pointer :: nuc_0K => null() ! (resonant) target nuclide at 0K + + real(8), intent(out) :: v_target(3) + real(8), intent(in) :: v_neut(3) + real(8), intent(in) :: E + real(8), intent(in) :: uvw(3) + real(8), intent(inout) :: wgt real(8) :: kT ! equilibrium temperature of target in MeV real(8) :: alpha ! probability of sampling f2 over f1 @@ -652,148 +657,146 @@ contains real(8) :: beta_vt ! beta * speed of target real(8) :: beta_vt_sq ! (beta * speed of target)^2 real(8) :: vt ! speed of target - real(8) :: E_old ! tmp storage of current energy - logical :: reject ! resample if true +! real(8) :: E_old ! tmp storage of current energy real(8) :: E_rel ! trial relative energy real(8) :: xs_0K ! 0K xs at E_rel + real(8) :: xs_eff ! effective elastic xs at temperature T real(8) :: wcf ! weight correction factor + logical :: reject ! resample if true + + nuc_0K => res_scatterers(nuc % i_0K) + ! Determine equilibrium temperature in MeV kT = nuc % kT ! Check if nuclide is a resonant scatterer and which sampling scheme ! to use based on neutron energy if (nuc % resonant) then - if (E > E_max_res_scat) then - v_target = ZERO - return - else if (E < E_min_res_scat) then - target_sampling = 'cxs' - end if + if (E > nuc_0K % E_max) then + v_target = ZERO + return + else if (E < nuc_0K % E_min) then + nuc_0K % scheme = 'cxs' + end if else - if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then - v_target = ZERO - return - else - target_sampling = 'cxs' + if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then + v_target = ZERO + return + else + nuc_0K % scheme = 'cxs' + end if end if - E_old = E - ! reject unless criteria are satisfied reject = .true. - - select case (target_sampling) - case ('svt') - ! calculate beta, alpha - beta_vn = sqrt(nuc%awr * E / kT) - alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - - do - ! Sample two random numbers - r1 = prn() - r2 = prn() - - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler - - beta_vt_sq = -log(r1*r2) - - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler - - c = cos(PI/TWO * prn()) - beta_vt_sq = -log(r1) - log(r2)*c*c - end if - - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) - - ! Sample cosine of angle between neutron and target velocity - mu = TWO*prn() - ONE - - ! Determine rejection probability - accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) - - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) exit - end do - - ! determine speed of target nucleus - vt = sqrt(beta_vt_sq*kT/nuc % awr) - - ! determine velocity vector of target nucleus based on neutron's velocity - ! and the sampled angle between them - v_target = vt * rotate_angle(uvw, mu) - + + select case (nuc_0K % scheme) + case ('cxs') + ! calculate beta, alpha + beta_vn = sqrt(nuc%awr * E / kT) + alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) + + do + ! Sample two random numbers + r1 = prn() + r2 = prn() + + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler + + beta_vt_sq = -log(r1*r2) + + else + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler + + c = cos(PI/TWO * prn()) + beta_vt_sq = -log(r1) - log(r2)*c*c + end if + + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) + + ! Sample cosine of angle between neutron and target velocity + mu = TWO*prn() - ONE + + ! Determine rejection probability + accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & + /(beta_vn + beta_vt) + + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) exit + end do + + ! determine speed of target nucleus + vt = sqrt(beta_vt_sq*kT/nuc % awr) + + ! determine velocity vector of target nucleus based on neutron's velocity + ! and the sampled angle between them + v_target = vt * rotate_angle(uvw, mu) + case ('wcm') - ! calculate beta, alpha - beta_vn = sqrt(nuc%awr * E / kT) - alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - - do - ! Sample two random numbers - r1 = prn() - r2 = prn() - - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler - - beta_vt_sq = -log(r1*r2) - - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler - - c = cos(PI/TWO * prn()) - beta_vt_sq = -log(r1) - log(r2)*c*c - end if - - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) - - ! Sample cosine of angle between neutron and target velocity - mu = TWO*prn() - ONE - - ! Determine rejection probability - accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) - - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) exit - end do - - ! determine speed of target nucleus - vt = sqrt(beta_vt_sq*kT/nuc % awr) - - ! determine velocity vector of target nucleus based on neutron's velocity - ! and the sampled angle between them - v_target = vt * rotate_angle(uvw, mu) - - ! adjust particle weight - E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - E = E_rel - if (grid_method == GRID_UNION) call find_energy_index(E) - call calculate_elastic_xs(nuc % i_nuclide_0K, NONE) - xs_0K = micro_xs(i_nuclide_0K) % elastic - wcf = xs_0K / micro_xs(i_nuclide) % elastic - wgt = wcf * wgt - - E = E_old - + ! calculate beta, alpha + beta_vn = sqrt(nuc%awr * E / kT) + alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) + + do + ! Sample two random numbers + r1 = prn() + r2 = prn() + + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler + + beta_vt_sq = -log(r1*r2) + + else + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler + + c = cos(PI/TWO * prn()) + beta_vt_sq = -log(r1) - log(r2)*c*c + end if + + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) + + ! Sample cosine of angle between neutron and target velocity + mu = TWO*prn() - ONE + + ! Determine rejection probability + accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & + /(beta_vn + beta_vt) + + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) exit + end do + + ! determine speed of target nucleus + vt = sqrt(beta_vt_sq*kT/nuc % awr) + + ! determine velocity vector of target nucleus based on neutron's velocity + ! and the sampled angle between them + v_target = vt * rotate_angle(uvw, mu) + + ! adjust particle weight + E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) + xs_0K = elastic_0K_xs(E_rel, nuc_0K, nuc % i_0K) + wcf = xs_0K / xs_eff + wgt = wcf * wgt + case default - message = "Not a recognized resonance scattering treatment!" - call fatal_error() + message = "Not a recognized resonance scattering treatment!" + call fatal_error() end select - + end subroutine sample_target_velocity !=============================================================================== From 4c9dd3f094b9c238e2d09ccb7ff3c321479d1aa5 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 09:53:45 -0800 Subject: [PATCH 022/187] added required dependencies --- src/DEPENDENCIES | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/DEPENDENCIES b/src/DEPENDENCIES index e404cd9913..afb953272a 100644 --- a/src/DEPENDENCIES +++ b/src/DEPENDENCIES @@ -158,6 +158,7 @@ global.o: hdf5_interface.o global.o: material_header.o global.o: mesh_header.o global.o: plot_header.o +global.o: res_scat_header.o global.o: set_header.o global.o: source_header.o global.o: tally_header.o @@ -289,6 +290,7 @@ particle_restart_write.o: string.o physics.o: ace_header.o physics.o: constants.o +physics.o: cross_section.o physics.o: endf.o physics.o: error.o physics.o: fission.o From bead663f806dd48a5b3e94a936e95223e9a74740 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 09:54:34 -0800 Subject: [PATCH 023/187] function for calculating 0K xs --- src/cross_section.F90 | 51 +++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 51 insertions(+) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 299033590d..e05b18949b 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -478,4 +478,55 @@ contains end subroutine find_energy_index +!=============================================================================== +! ELASTIC_0K_XS determines the microscopic elastic cross section for a +! nuclide of a given index in the nuclides array at the energy of the particle +!=============================================================================== + + function elastic_0K_xs(E, nuc_0K, i_0K) result(xs_out) + + type(ResScatterer), pointer :: nuc_0K + + integer, intent(in) :: i_0K ! index into 0K nuclides array + integer :: i_grid ! index on nuclide energy grid + + real(8) :: f ! interp factor on nuclide energy grid + real(8), intent(in) :: E ! trial energy + real(8) :: xs_out + + ! Determine index on nuclide energy grid + select case (grid_method) + case (GRID_UNION) + ! If we're using the unionized grid with pointers, finding the index on + ! the nuclide energy grid is as simple as looking up the pointer + + call find_energy_index(E) + i_grid = nuc_0K % grid_index(union_grid_index) + + case (GRID_NUCLIDE) + ! If we're not using the unionized grid, we have to do a binary search on + ! the nuclide energy grid in order to determine which points to + ! interpolate between + + if (E < nuc_0K % energy(1)) then + i_grid = 1 + elseif (E > nuc_0K % energy(nuc_0K % n_grid)) then + i_grid = nuc_0K % n_grid - 1 + else + i_grid = binary_search(nuc_0K % energy, nuc_0K % n_grid, E) + end if + + end select + + ! check for rare case where two energy points are the same + if (nuc_0K % energy(i_grid) == nuc_0K % energy(i_grid+1)) i_grid = i_grid + 1 + + ! calculate interpolation factor + f = (E - nuc_0K%energy(i_grid))/(nuc_0K%energy(i_grid+1) - nuc_0K%energy(i_grid)) + + ! Calculate microscopic nuclide elastic cross section + xs_out = (ONE - f) * nuc_0K % elastic(i_grid) + f * nuc_0K % elastic(i_grid+1) + + end function elastic_0K_xs + end module cross_section From 99249940e5ed150b63e9ec49e8f0d0aa296e0154 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 23 Nov 2013 15:12:22 -0800 Subject: [PATCH 024/187] moved contents of res_scat_header to ace_header --- src/DEPENDENCIES | 1 - src/Makefile | 4 +-- src/ace_header.F90 | 56 ++++++++++++++++++++++++++++++++++++++ src/global.F90 | 3 +-- src/input_xml.F90 | 10 +++++++ src/physics.F90 | 3 +-- src/res_scat_header.F90 | 60 ----------------------------------------- 7 files changed, 70 insertions(+), 67 deletions(-) delete mode 100644 src/res_scat_header.F90 diff --git a/src/DEPENDENCIES b/src/DEPENDENCIES index afb953272a..016163ce84 100644 --- a/src/DEPENDENCIES +++ b/src/DEPENDENCIES @@ -158,7 +158,6 @@ global.o: hdf5_interface.o global.o: material_header.o global.o: mesh_header.o global.o: plot_header.o -global.o: res_scat_header.o global.o: set_header.o global.o: source_header.o global.o: tally_header.o diff --git a/src/Makefile b/src/Makefile index 4300d42e6e..1a75b941c9 100644 --- a/src/Makefile +++ b/src/Makefile @@ -16,7 +16,7 @@ COMPILER = gnu DEBUG = no PROFILE = no OPTIMIZE = no -MPI = no +MPI = yes OPENMP = no HDF5 = no PETSC = no @@ -25,7 +25,7 @@ PETSC = no # External Library Paths #=============================================================================== -MPI_DIR = /opt/mpich/3.0.4-$(COMPILER) +MPI_DIR = /opt/mpich/3.0.2-$(COMPILER) HDF5_DIR = /opt/hdf5/1.8.11-$(COMPILER) PHDF5_DIR = /opt/phdf5/1.8.11-$(COMPILER) PETSC_DIR = /opt/petsc/3.4.2-$(COMPILER) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 4f0bb6e5d4..d8b3178e73 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -147,6 +147,44 @@ module ace_header procedure :: clear => nuclide_clear ! Deallocates Nuclide end type Nuclide +!=============================================================================== +! RESSCATTERER contains all the data for a resonance scattering nuclide at 0K +!=============================================================================== + + type :: ResScatterer + + character(10) :: name ! name of nuclide, e.g. 92235.03c + integer :: zaid ! Z and A identifier, e.g. 92235 + integer :: listing ! index in xs_listings + real(8) :: awr ! weight of nucleus in neutron masses + real(8) :: kT ! temperature in MeV (k*T) + + ! Energy grid information + integer :: n_grid + integer, allocatable :: grid_index(:) ! pointers to union grid + real(8), allocatable :: energy(:) ! energy values corresponding to xs + + ! CDF of neutron velocity x cross section + real(8), allocatable :: xs_cdf(:) + + ! Microscopic elastic cross section + real(8), allocatable :: elastic(:) + + ! lower cutoff energy for resonance scattering + real(8) :: E_min + + ! upper cutoff energy for resonance scattering + real(8) :: E_max + + ! target velocity sampling scheme + character(16) :: scheme + + ! Type-Bound procedures + contains + procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer + + end type ResScatterer + !=============================================================================== ! SALPHABETA contains S(a,b) data for thermal neutron scattering, typically off ! of light isotopes such as water, graphite, Be, etc @@ -365,4 +403,22 @@ module ace_header end subroutine nuclide_clear +!=============================================================================== +! RES_SCATTERER_CLEAR resets and deallocates data in ResScatterer. +!=============================================================================== + + subroutine res_scatterer_clear(this) + + class(ResScatterer), intent(inout) :: this ! the ResScatterer object to clear + + integer :: i ! Loop counter + + if (allocated(this % grid_index)) & + deallocate(this % grid_index) + + if (allocated(this % energy)) & + deallocate(this % elastic, this % xs_cdf, this % energy) + + end subroutine res_scatterer_clear + end module ace_header diff --git a/src/global.F90 b/src/global.F90 index 02f618fbb7..2b634db409 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -1,7 +1,7 @@ module global use ace_header, only: Nuclide, SAlphaBeta, xsListing, NuclideMicroXS, & - MaterialMacroXS + MaterialMacroXS, ResScatterer use bank_header, only: Bank use cmfd_header use constants @@ -11,7 +11,6 @@ module global use mesh_header, only: StructuredMesh use plot_header, only: ObjectPlot use set_header, only: SetInt - use res_scat_header, only: ResScatterer use source_header, only: ExtSource use tally_header, only: TallyObject, TallyMap, TallyResult use timer_header, only: Timer diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 9bedbc8b3c..536628ba36 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -602,6 +602,16 @@ contains #endif end if + ! set up resonance scattering treatment + call lower_case(resonance_scattering_ % method(1)) + if (resonance_scattering_ % method(1) /= '') then + treat_res_scat = .true. + n_res_scatterers_total = size(resonance_scattering_ % scatterer) + do i = 1, n_res_scatterers_total + + end do + end if + end subroutine read_settings_xml !=============================================================================== diff --git a/src/physics.F90 b/src/physics.F90 index abe1c3303d..fdd4f50f8a 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -1,6 +1,6 @@ module physics - use ace_header, only: Nuclide, Reaction, DistEnergy + use ace_header, only: Nuclide, Reaction, DistEnergy, ResScatterer use constants use cross_section, only: elastic_0K_xs use endf, only: reaction_name @@ -15,7 +15,6 @@ module physics use particle_header, only: Particle use particle_restart_write, only: write_particle_restart use random_lcg, only: prn - use res_scat_header, only: ResScatterer use search, only: binary_search use string, only: to_str diff --git a/src/res_scat_header.F90 b/src/res_scat_header.F90 deleted file mode 100644 index 3007acc809..0000000000 --- a/src/res_scat_header.F90 +++ /dev/null @@ -1,60 +0,0 @@ -module res_scat_header - - implicit none - private - - type, public :: ResScatterer - - character(10) :: name ! name of nuclide, e.g. 92235.03c - integer :: zaid ! Z and A identifier, e.g. 92235 - integer :: listing ! index in xs_listings - real(8) :: awr ! weight of nucleus in neutron masses - real(8) :: kT ! temperature in MeV (k*T) - - ! Energy grid information - integer :: n_grid - integer, allocatable :: grid_index(:) ! pointers to union grid - real(8), allocatable :: energy(:) ! energy values corresponding to xs - - ! CDF of neutron velocity x cross section - real(8), allocatable :: xs_cdf(:) - - ! Microscopic elastic cross section - real(8), allocatable :: elastic(:) - - ! lower cutoff energy for resonance scattering - real(8) :: E_min - - ! upper cutoff energy for resonance scattering - real(8) :: E_max - - ! target velocity sampling scheme - character(16) :: scheme - - ! Type-Bound procedures - contains - procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer - - end type ResScatterer - -contains - -!=============================================================================== -! RES_SCATTERER_CLEAR resets and deallocates data in ResScatterer. -!=============================================================================== - - subroutine res_scatterer_clear(this) - - class(ResScatterer), intent(inout) :: this ! the ResScatterer object to clear - - integer :: i ! Loop counter - - if (allocated(this % grid_index)) & - deallocate(this % grid_index) - - if (allocated(this % energy)) & - deallocate(this % elastic, this % xs_cdf, this % energy) - - end subroutine res_scatterer_clear - -end module res_scat_header From 78746e1a928a07100e051626e123704065f11b5b Mon Sep 17 00:00:00 2001 From: walshjon Date: Sun, 24 Nov 2013 16:40:41 -0800 Subject: [PATCH 025/187] started setting up reading in 0K xs --- src/ace.F90 | 204 +++++++++++++++++++++++++++++++++++++++++++++ src/ace_header.F90 | 43 +++++----- src/input_xml.F90 | 8 +- 3 files changed, 233 insertions(+), 22 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index d54aa83c28..8ae447d4cc 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -35,6 +35,8 @@ contains integer :: i ! index in materials array integer :: j ! index over nuclides in material integer :: k ! index over S(a,b) tables in material + integer :: l ! index over 0K nuclides + integer :: index_res_scatterers ! index into res_scatterers integer :: i_listing ! index in xs_listings array integer :: i_nuclide ! index in nuclides integer :: i_sab ! index in sab_tables @@ -58,6 +60,8 @@ contains ! ========================================================================== ! READ ALL ACE CROSS SECTION TABLES + index_res_scatterers = 0 + ! Loop over all files MATERIAL_LOOP: do i = 1, n_materials mat => materials(i) @@ -71,6 +75,15 @@ contains name = xs_listings(i_listing) % name alias = xs_listings(i_listing) % alias + ! check if nuclide's a resonant scatterer + do l = 1, n_res_scatterers_total + if (name == res_scatterers(l) % name) then + nuclides(i_nuclide) % resonant = .true. + index_res_scatterers = index_res_scatterers + 1 + nuclides(i_nuclide) % i_0k = index_res_scatterers + end if + end do + ! Keep track of what listing is associated with this nuclide nuc => nuclides(i_nuclide) nuc % listing = i_listing @@ -170,6 +183,26 @@ contains ! Avoid some valgrind leak errors call already_read % clear() + + ! check if nuclide's a resonant scatterer + do l = 1, n_res_scatterers_total + name = res_scatterers(l) % scatterer + i_listing = xs_listing_dict % get_key(name) + name = xs_listings(i_listing) % name + alias = xs_listings(i_listing) % alias + + nuc => nuclides(i_nuclide) + nuc % listing = i_listing + + ! Read the ACE table into the appropriate entry on the nuclides + ! array + call read_ace_table(i_nuclide, i_listing) + + ! Add name and alias to dictionary + call already_read % add(name) + call already_read % add(alias) + end if + end do end subroutine read_xs @@ -344,6 +377,177 @@ contains end subroutine read_ace_table +!=============================================================================== +! READ_0K_ACE_TABLE reads a single cross section table in either ASCII or binary +! format. This routine reads the header data for each table and then calls +! appropriate subroutines to parse the actual data. +!=============================================================================== + + subroutine read_0K_ace_table(i_table, i_listing) + + integer, intent(in) :: i_table ! index in nuclides/sab_tables + integer, intent(in) :: i_listing ! index in xs_listings + + integer :: i ! loop index for XSS records + integer :: j, j1, j2 ! indices in XSS + integer :: record_length ! Fortran record length + integer :: location ! location of ACE table + integer :: entries ! number of entries on each record + integer :: length ! length of ACE table + integer :: in = 7 ! file unit + integer :: zaids(16) ! list of ZAIDs (only used for S(a,b)) + integer :: filetype ! filetype (ASCII or BINARY) + real(8) :: kT ! temperature of table + real(8) :: awrs(16) ! list of atomic weight ratios (not used) + real(8) :: awr ! atomic weight ratio for table + logical :: file_exists ! does ACE library exist? + character(7) :: readable ! is ACE library readable? + character(10) :: name ! name of ACE table + character(10) :: date_ ! date ACE library was processed + character(10) :: mat ! material identifier + character(70) :: comment ! comment for ACE table + character(MAX_FILE_LEN) :: filename ! path to ACE cross section library + type(Nuclide), pointer :: nuc => null() + type(SAlphaBeta), pointer :: sab => null() + type(XsListing), pointer :: listing => null() + + ! determine path, record length, and location of table + listing => xs_listings(i_listing) + filename = listing % path + record_length = listing % recl + location = listing % location + entries = listing % entries + filetype = listing % filetype + + ! Check if ACE library exists and is readable + inquire(FILE=filename, EXIST=file_exists, READ=readable) + if (.not. file_exists) then + message = "ACE library '" // trim(filename) // "' does not exist!" + call fatal_error() + elseif (readable(1:3) == 'NO') then + message = "ACE library '" // trim(filename) // "' is not readable! & + &Change file permissions with chmod command." + call fatal_error() + end if + + ! display message + message = "Loading ACE cross section table: " // listing % name + call write_message(6) + + if (filetype == ASCII) then + ! ======================================================================= + ! READ ACE TABLE IN ASCII FORMAT + + ! Find location of table + open(UNIT=in, FILE=filename, STATUS='old', ACTION='read') + rewind(UNIT=in) + do i = 1, location - 1 + read(UNIT=in, FMT=*) + end do + + ! Read first line of header + read(UNIT=in, FMT='(A10,2G12.0,1X,A10)') name, awr, kT, date_ + + ! Check that correct xs was found -- if cross_sections.xml is broken, the + ! location of the table may be wrong + if(adjustl(name) /= adjustl(listing % name)) then + message = "XS listing entry " // trim(listing % name) // " did not & + &match ACE data, " // trim(name) // " found instead." + call fatal_error() + end if + + ! Read more header and NXS and JXS + read(UNIT=in, FMT=100) comment, mat, & + (zaids(i), awrs(i), i=1,16), NXS, JXS +100 format(A70,A10/4(I7,F11.0)/4(I7,F11.0)/4(I7,F11.0)/4(I7,F11.0)/& + ,8I9/8I9/8I9/8I9/8I9/8I9) + + ! determine table length + length = NXS(1) + allocate(XSS(length)) + + ! Read XSS array + read(UNIT=in, FMT='(4G20.0)') XSS + + ! Close ACE file + close(UNIT=in) + + elseif (filetype == BINARY) then + ! ======================================================================= + ! READ ACE TABLE IN BINARY FORMAT + + ! Open ACE file + open(UNIT=in, FILE=filename, STATUS='old', ACTION='read', & + ACCESS='direct', RECL=record_length) + + ! Read all header information + read(UNIT=in, REC=location) name, awr, kT, date_, & + comment, mat, (zaids(i), awrs(i), i=1,16), NXS, JXS + + ! determine table length + length = NXS(1) + allocate(XSS(length)) + + ! Read remaining records with XSS + do i = 1, (length + entries - 1)/entries + j1 = 1 + (i-1)*entries + j2 = min(length, j1 + entries - 1) + read(UNIT=IN, REC=location + i) (XSS(j), j=j1,j2) + end do + + ! Close ACE file + close(UNIT=in) + end if + + ! ========================================================================== + ! PARSE DATA BASED ON NXS, JXS, AND XSS ARRAYS + + select case(listing % type) + case (ACE_NEUTRON) + nuc => nuclides(i_table) + nuc % name = name + nuc % awr = awr + nuc % kT = kT + nuc % zaid = NXS(2) + + ! read all blocks + call read_esz(nuc) + call read_nu_data(nuc) + call read_reactions(nuc) + call read_angular_dist(nuc) + call read_energy_dist(nuc) + call read_unr_res(nuc) + + ! Currently subcritical fixed source calculations are not allowed. Thus, + ! if any fissionable material is found in a fixed source calculation, + ! abort the run. + if (run_mode == MODE_FIXEDSOURCE .and. nuc % fissionable) then + message = "Cannot have fissionable material in a fixed source run." + call fatal_error() + end if + + ! for fissionable nuclides, precalculate microscopic nu-fission cross + ! sections so that we don't need to call the nu_total function during + ! cross section lookups + + if (nuc % fissionable) call generate_nu_fission(nuc) + + case (ACE_THERMAL) + sab => sab_tables(i_table) + sab % name = name + sab % awr = awr + sab % kT = kT + sab % zaid = zaids(1) + + call read_thermal_data(sab) + end select + + deallocate(XSS) + if(associated(nuc)) nullify(nuc) + if(associated(sab)) nullify(sab) + + end subroutine read_0K_ace_table + !=============================================================================== ! READ_ESZ - reads through the ESZ block. This block contains the energy grid, ! total xs, absorption xs, elastic scattering xs, and heating numbers. diff --git a/src/ace_header.F90 b/src/ace_header.F90 index d8b3178e73..425d2a36c4 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -153,36 +153,37 @@ module ace_header type :: ResScatterer - character(10) :: name ! name of nuclide, e.g. 92235.03c - integer :: zaid ! Z and A identifier, e.g. 92235 - integer :: listing ! index in xs_listings - real(8) :: awr ! weight of nucleus in neutron masses - real(8) :: kT ! temperature in MeV (k*T) + character(10) :: name ! name of nuclide, e.g. 92235.70c + character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c +! integer :: zaid ! Z and A identifier, e.g. 92235 +! integer :: listing ! index in xs_listings +! real(8) :: awr ! weight of nucleus in neutron masses +! real(8) :: kT ! temperature in MeV (k*T) - ! Energy grid information - integer :: n_grid - integer, allocatable :: grid_index(:) ! pointers to union grid - real(8), allocatable :: energy(:) ! energy values corresponding to xs + ! Energy grid information +! integer :: n_grid +! integer, allocatable :: grid_index(:) ! pointers to union grid +! real(8), allocatable :: energy(:) ! energy values corresponding to xs - ! CDF of neutron velocity x cross section - real(8), allocatable :: xs_cdf(:) + ! CDF of neutron velocity x cross section +! real(8), allocatable :: xs_cdf(:) - ! Microscopic elastic cross section - real(8), allocatable :: elastic(:) + ! Microscopic elastic cross section +! real(8), allocatable :: elastic(:) - ! lower cutoff energy for resonance scattering + ! lower cutoff energy for resonance scattering real(8) :: E_min - ! upper cutoff energy for resonance scattering + ! upper cutoff energy for resonance scattering real(8) :: E_max - ! target velocity sampling scheme + ! target velocity sampling scheme character(16) :: scheme - - ! Type-Bound procedures - contains - procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer - + + ! Type-Bound procedures + contains + procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer + end type ResScatterer !=============================================================================== diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 536628ba36..32ea3e2f64 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -607,8 +607,13 @@ contains if (resonance_scattering_ % method(1) /= '') then treat_res_scat = .true. n_res_scatterers_total = size(resonance_scattering_ % scatterer) + allocate(res_scatterers(n_res_scatterers_total)) do i = 1, n_res_scatterers_total - + res_scatterers(i) % name = trim(resonance_scattering_ % xs_label(i)) + res_scatterers(i) % name_0K = trim(resonance_scattering_ % xs_0K_label(i)) + res_scatterers(i) % scheme = trim(resonance_scattering_ % method(i)) + res_scatterers(i) % E_min = resonance_scattering_ % E_min(i) + res_scatterers(i) % E_max = resonance_scattering_ % E_max(i) end do end if @@ -1052,6 +1057,7 @@ contains integer :: i ! loop index for materials integer :: j ! loop index for nuclides + integer :: k ! loop index for resonant scatterers integer :: n ! number of nuclides integer :: n_sab ! number of sab tables for a material integer :: index_list ! index in xs_listings array From e77d2d51ff692b054d77e37e1c920c23ec5e5762 Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 26 Nov 2013 10:09:35 -0800 Subject: [PATCH 026/187] incorporated ResScatterer derived type into Nuclide --- src/ace_header.F90 | 71 +++++++--------------------------------------- 1 file changed, 10 insertions(+), 61 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 425d2a36c4..b880032070 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -109,8 +109,13 @@ module ace_header real(8), allocatable :: heating(:) ! heating ! Resonance scattering info - logical :: resonant ! is nuclide to be treated as a resonant scatterer? - integer :: i_0K ! index into 0K nuclides (resonant scatterers) + logical :: resonant = .false. ! resonant scatterer? + character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c + character(16) :: scheme ! target velocity sampling scheme + real(8), allocatable :: xs_cdf(:) ! CDF of v_rel times cross section + real(8), allocatable :: elastic_0K(:) ! Microscopic elastic cross section + real(8) :: E_min ! lower cutoff energy for res scattering + real(8) :: E_max ! upper cutoff energy for res scattering ! Fission information logical :: fissionable ! nuclide is fissionable? @@ -146,46 +151,7 @@ module ace_header contains procedure :: clear => nuclide_clear ! Deallocates Nuclide end type Nuclide - -!=============================================================================== -! RESSCATTERER contains all the data for a resonance scattering nuclide at 0K -!=============================================================================== - - type :: ResScatterer - - character(10) :: name ! name of nuclide, e.g. 92235.70c - character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c -! integer :: zaid ! Z and A identifier, e.g. 92235 -! integer :: listing ! index in xs_listings -! real(8) :: awr ! weight of nucleus in neutron masses -! real(8) :: kT ! temperature in MeV (k*T) - - ! Energy grid information -! integer :: n_grid -! integer, allocatable :: grid_index(:) ! pointers to union grid -! real(8), allocatable :: energy(:) ! energy values corresponding to xs - - ! CDF of neutron velocity x cross section -! real(8), allocatable :: xs_cdf(:) - - ! Microscopic elastic cross section -! real(8), allocatable :: elastic(:) - - ! lower cutoff energy for resonance scattering - real(8) :: E_min - - ! upper cutoff energy for resonance scattering - real(8) :: E_max - - ! target velocity sampling scheme - character(16) :: scheme - ! Type-Bound procedures - contains - procedure :: clear => res_scatterer_clear ! Deallocates resonant scatterer - - end type ResScatterer - !=============================================================================== ! SALPHABETA contains S(a,b) data for thermal neutron scattering, typically off ! of light isotopes such as water, graphite, Be, etc @@ -363,8 +329,9 @@ module ace_header deallocate(this % grid_index) if (allocated(this % energy)) & - deallocate(this % total, this % elastic, this % fission, & - this % nu_fission, this % absorption) + deallocate(this % total, this % elastic, this % fission, & + this % nu_fission, this % absorption, & + this % elastic_0K, this % xs_cdf) if (allocated(this % heating)) & deallocate(this % heating) @@ -404,22 +371,4 @@ module ace_header end subroutine nuclide_clear -!=============================================================================== -! RES_SCATTERER_CLEAR resets and deallocates data in ResScatterer. -!=============================================================================== - - subroutine res_scatterer_clear(this) - - class(ResScatterer), intent(inout) :: this ! the ResScatterer object to clear - - integer :: i ! Loop counter - - if (allocated(this % grid_index)) & - deallocate(this % grid_index) - - if (allocated(this % energy)) & - deallocate(this % elastic, this % xs_cdf, this % energy) - - end subroutine res_scatterer_clear - end module ace_header From e69706b92188e8b15d6f7faf68228258bcac2342 Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 26 Nov 2013 10:12:51 -0800 Subject: [PATCH 027/187] removed separate 0K subroutines --- src/ace.F90 | 215 +++------------------------------------------------- 1 file changed, 11 insertions(+), 204 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 8ae447d4cc..0cb97c647b 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -35,11 +35,11 @@ contains integer :: i ! index in materials array integer :: j ! index over nuclides in material integer :: k ! index over S(a,b) tables in material - integer :: l ! index over 0K nuclides - integer :: index_res_scatterers ! index into res_scatterers + integer :: l ! index over res_scatterers integer :: i_listing ! index in xs_listings array integer :: i_nuclide ! index in nuclides integer :: i_sab ! index in sab_tables + integer :: i_res_scat = 0 ! index in res_scatterers integer :: m ! position for sorting integer :: temp_nuclide ! temporary value for sorting integer :: temp_table ! temporary value for sorting @@ -60,8 +60,6 @@ contains ! ========================================================================== ! READ ALL ACE CROSS SECTION TABLES - index_res_scatterers = 0 - ! Loop over all files MATERIAL_LOOP: do i = 1, n_materials mat => materials(i) @@ -75,19 +73,19 @@ contains name = xs_listings(i_listing) % name alias = xs_listings(i_listing) % alias - ! check if nuclide's a resonant scatterer - do l = 1, n_res_scatterers_total - if (name == res_scatterers(l) % name) then - nuclides(i_nuclide) % resonant = .true. - index_res_scatterers = index_res_scatterers + 1 - nuclides(i_nuclide) % i_0k = index_res_scatterers - end if - end do - ! Keep track of what listing is associated with this nuclide nuc => nuclides(i_nuclide) nuc % listing = i_listing + do l = 1, n_res_scatterers_total + if (name == res_scatterers(l) % name) then + i_res_scat = i_res_scat + 1 + nuclides(i_nuclide) % resonant = .true. + nuclides(i_nuclide) % i_0K = i_res_scat + exit + end if + end do + ! Read the ACE table into the appropriate entry on the nuclides ! array call read_ace_table(i_nuclide, i_listing) @@ -183,26 +181,6 @@ contains ! Avoid some valgrind leak errors call already_read % clear() - - ! check if nuclide's a resonant scatterer - do l = 1, n_res_scatterers_total - name = res_scatterers(l) % scatterer - i_listing = xs_listing_dict % get_key(name) - name = xs_listings(i_listing) % name - alias = xs_listings(i_listing) % alias - - nuc => nuclides(i_nuclide) - nuc % listing = i_listing - - ! Read the ACE table into the appropriate entry on the nuclides - ! array - call read_ace_table(i_nuclide, i_listing) - - ! Add name and alias to dictionary - call already_read % add(name) - call already_read % add(alias) - end if - end do end subroutine read_xs @@ -377,177 +355,6 @@ contains end subroutine read_ace_table -!=============================================================================== -! READ_0K_ACE_TABLE reads a single cross section table in either ASCII or binary -! format. This routine reads the header data for each table and then calls -! appropriate subroutines to parse the actual data. -!=============================================================================== - - subroutine read_0K_ace_table(i_table, i_listing) - - integer, intent(in) :: i_table ! index in nuclides/sab_tables - integer, intent(in) :: i_listing ! index in xs_listings - - integer :: i ! loop index for XSS records - integer :: j, j1, j2 ! indices in XSS - integer :: record_length ! Fortran record length - integer :: location ! location of ACE table - integer :: entries ! number of entries on each record - integer :: length ! length of ACE table - integer :: in = 7 ! file unit - integer :: zaids(16) ! list of ZAIDs (only used for S(a,b)) - integer :: filetype ! filetype (ASCII or BINARY) - real(8) :: kT ! temperature of table - real(8) :: awrs(16) ! list of atomic weight ratios (not used) - real(8) :: awr ! atomic weight ratio for table - logical :: file_exists ! does ACE library exist? - character(7) :: readable ! is ACE library readable? - character(10) :: name ! name of ACE table - character(10) :: date_ ! date ACE library was processed - character(10) :: mat ! material identifier - character(70) :: comment ! comment for ACE table - character(MAX_FILE_LEN) :: filename ! path to ACE cross section library - type(Nuclide), pointer :: nuc => null() - type(SAlphaBeta), pointer :: sab => null() - type(XsListing), pointer :: listing => null() - - ! determine path, record length, and location of table - listing => xs_listings(i_listing) - filename = listing % path - record_length = listing % recl - location = listing % location - entries = listing % entries - filetype = listing % filetype - - ! Check if ACE library exists and is readable - inquire(FILE=filename, EXIST=file_exists, READ=readable) - if (.not. file_exists) then - message = "ACE library '" // trim(filename) // "' does not exist!" - call fatal_error() - elseif (readable(1:3) == 'NO') then - message = "ACE library '" // trim(filename) // "' is not readable! & - &Change file permissions with chmod command." - call fatal_error() - end if - - ! display message - message = "Loading ACE cross section table: " // listing % name - call write_message(6) - - if (filetype == ASCII) then - ! ======================================================================= - ! READ ACE TABLE IN ASCII FORMAT - - ! Find location of table - open(UNIT=in, FILE=filename, STATUS='old', ACTION='read') - rewind(UNIT=in) - do i = 1, location - 1 - read(UNIT=in, FMT=*) - end do - - ! Read first line of header - read(UNIT=in, FMT='(A10,2G12.0,1X,A10)') name, awr, kT, date_ - - ! Check that correct xs was found -- if cross_sections.xml is broken, the - ! location of the table may be wrong - if(adjustl(name) /= adjustl(listing % name)) then - message = "XS listing entry " // trim(listing % name) // " did not & - &match ACE data, " // trim(name) // " found instead." - call fatal_error() - end if - - ! Read more header and NXS and JXS - read(UNIT=in, FMT=100) comment, mat, & - (zaids(i), awrs(i), i=1,16), NXS, JXS -100 format(A70,A10/4(I7,F11.0)/4(I7,F11.0)/4(I7,F11.0)/4(I7,F11.0)/& - ,8I9/8I9/8I9/8I9/8I9/8I9) - - ! determine table length - length = NXS(1) - allocate(XSS(length)) - - ! Read XSS array - read(UNIT=in, FMT='(4G20.0)') XSS - - ! Close ACE file - close(UNIT=in) - - elseif (filetype == BINARY) then - ! ======================================================================= - ! READ ACE TABLE IN BINARY FORMAT - - ! Open ACE file - open(UNIT=in, FILE=filename, STATUS='old', ACTION='read', & - ACCESS='direct', RECL=record_length) - - ! Read all header information - read(UNIT=in, REC=location) name, awr, kT, date_, & - comment, mat, (zaids(i), awrs(i), i=1,16), NXS, JXS - - ! determine table length - length = NXS(1) - allocate(XSS(length)) - - ! Read remaining records with XSS - do i = 1, (length + entries - 1)/entries - j1 = 1 + (i-1)*entries - j2 = min(length, j1 + entries - 1) - read(UNIT=IN, REC=location + i) (XSS(j), j=j1,j2) - end do - - ! Close ACE file - close(UNIT=in) - end if - - ! ========================================================================== - ! PARSE DATA BASED ON NXS, JXS, AND XSS ARRAYS - - select case(listing % type) - case (ACE_NEUTRON) - nuc => nuclides(i_table) - nuc % name = name - nuc % awr = awr - nuc % kT = kT - nuc % zaid = NXS(2) - - ! read all blocks - call read_esz(nuc) - call read_nu_data(nuc) - call read_reactions(nuc) - call read_angular_dist(nuc) - call read_energy_dist(nuc) - call read_unr_res(nuc) - - ! Currently subcritical fixed source calculations are not allowed. Thus, - ! if any fissionable material is found in a fixed source calculation, - ! abort the run. - if (run_mode == MODE_FIXEDSOURCE .and. nuc % fissionable) then - message = "Cannot have fissionable material in a fixed source run." - call fatal_error() - end if - - ! for fissionable nuclides, precalculate microscopic nu-fission cross - ! sections so that we don't need to call the nu_total function during - ! cross section lookups - - if (nuc % fissionable) call generate_nu_fission(nuc) - - case (ACE_THERMAL) - sab => sab_tables(i_table) - sab % name = name - sab % awr = awr - sab % kT = kT - sab % zaid = zaids(1) - - call read_thermal_data(sab) - end select - - deallocate(XSS) - if(associated(nuc)) nullify(nuc) - if(associated(sab)) nullify(sab) - - end subroutine read_0K_ace_table - !=============================================================================== ! READ_ESZ - reads through the ESZ block. This block contains the energy grid, ! total xs, absorption xs, elastic scattering xs, and heating numbers. From 4c4e875262963f9f36efbc0b8af59390b6560b0d Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 26 Nov 2013 10:18:06 -0800 Subject: [PATCH 028/187] removed extraneous res scatter variables --- src/global.F90 | 14 +------------- 1 file changed, 1 insertion(+), 13 deletions(-) diff --git a/src/global.F90 b/src/global.F90 index 2b634db409..5f32374c59 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -1,7 +1,7 @@ module global use ace_header, only: Nuclide, SAlphaBeta, xsListing, NuclideMicroXS, & - MaterialMacroXS, ResScatterer + MaterialMacroXS use bank_header, only: Bank use cmfd_header use constants @@ -368,18 +368,6 @@ module global logical :: output_xs = .false. logical :: output_tallies = .true. - ! ============================================================================ - ! RESONANCE SCATTERING VARIABLES - - ! Is resonance scattering treated? - logical :: treat_res_scat = .false. - - ! Number of resonant scatterers - integer :: n_res_scatterers_total - - ! Main object - type(ResScatterer), allocatable, target :: res_scatterers(:) - !$omp threadprivate(micro_xs, material_xs, fission_bank, n_bank, message, & !$omp& trace, thread_id, current_work, matching_bins) From 0a01092cc855861cac5e6f28f0139d9efa6c3ff7 Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 26 Nov 2013 10:42:32 -0800 Subject: [PATCH 029/187] removed dependence on ResScatterer type --- src/ace.F90 | 13 +------------ src/cross_section.F90 | 33 +++++++++++++++------------------ src/global.F90 | 9 --------- src/input_xml.F90 | 16 +--------------- src/physics.F90 | 26 +++++++++++++++----------- 5 files changed, 32 insertions(+), 65 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 0cb97c647b..005a17d17c 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -35,11 +35,9 @@ contains integer :: i ! index in materials array integer :: j ! index over nuclides in material integer :: k ! index over S(a,b) tables in material - integer :: l ! index over res_scatterers integer :: i_listing ! index in xs_listings array integer :: i_nuclide ! index in nuclides integer :: i_sab ! index in sab_tables - integer :: i_res_scat = 0 ! index in res_scatterers integer :: m ! position for sorting integer :: temp_nuclide ! temporary value for sorting integer :: temp_table ! temporary value for sorting @@ -66,7 +64,7 @@ contains NUCLIDE_LOOP: do j = 1, mat % n_nuclides name = mat % names(j) - + print*, name if (.not. already_read % contains(name)) then i_listing = xs_listing_dict % get_key(name) i_nuclide = nuclide_dict % get_key(name) @@ -77,15 +75,6 @@ contains nuc => nuclides(i_nuclide) nuc % listing = i_listing - do l = 1, n_res_scatterers_total - if (name == res_scatterers(l) % name) then - i_res_scat = i_res_scat + 1 - nuclides(i_nuclide) % resonant = .true. - nuclides(i_nuclide) % i_0K = i_res_scat - exit - end if - end do - ! Read the ACE table into the appropriate entry on the nuclides ! array call read_ace_table(i_nuclide, i_listing) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index e05b18949b..086d758afc 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -479,20 +479,17 @@ contains end subroutine find_energy_index !=============================================================================== -! ELASTIC_0K_XS determines the microscopic elastic cross section for a +! ELASTIC_0K_XS determines the microscopic 0K elastic cross section for a ! nuclide of a given index in the nuclides array at the energy of the particle !=============================================================================== - function elastic_0K_xs(E, nuc_0K, i_0K) result(xs_out) + function elastic_0K_xs(E, nuc) result(xs_out) - type(ResScatterer), pointer :: nuc_0K - - integer, intent(in) :: i_0K ! index into 0K nuclides array - integer :: i_grid ! index on nuclide energy grid - - real(8) :: f ! interp factor on nuclide energy grid - real(8), intent(in) :: E ! trial energy - real(8) :: xs_out + type(Nuclide), pointer :: nuc ! target nuclide at temperature + integer :: i_grid ! index on nuclide energy grid + real(8) :: f ! interp factor on nuclide energy grid + real(8), intent(in) :: E ! trial energy + real(8) :: xs_out ! Determine index on nuclide energy grid select case (grid_method) @@ -501,31 +498,31 @@ contains ! the nuclide energy grid is as simple as looking up the pointer call find_energy_index(E) - i_grid = nuc_0K % grid_index(union_grid_index) + i_grid = nuc % grid_index(union_grid_index) case (GRID_NUCLIDE) ! If we're not using the unionized grid, we have to do a binary search on ! the nuclide energy grid in order to determine which points to ! interpolate between - if (E < nuc_0K % energy(1)) then + if (E < nuc % energy(1)) then i_grid = 1 - elseif (E > nuc_0K % energy(nuc_0K % n_grid)) then - i_grid = nuc_0K % n_grid - 1 + elseif (E > nuc % energy(nuc % n_grid)) then + i_grid = nuc % n_grid - 1 else - i_grid = binary_search(nuc_0K % energy, nuc_0K % n_grid, E) + i_grid = binary_search(nuc % energy, nuc % n_grid, E) end if end select ! check for rare case where two energy points are the same - if (nuc_0K % energy(i_grid) == nuc_0K % energy(i_grid+1)) i_grid = i_grid + 1 + if (nuc % energy(i_grid) == nuc % energy(i_grid+1)) i_grid = i_grid + 1 ! calculate interpolation factor - f = (E - nuc_0K%energy(i_grid))/(nuc_0K%energy(i_grid+1) - nuc_0K%energy(i_grid)) + f = (E - nuc%energy(i_grid))/(nuc%energy(i_grid+1) - nuc%energy(i_grid)) ! Calculate microscopic nuclide elastic cross section - xs_out = (ONE - f) * nuc_0K % elastic(i_grid) + f * nuc_0K % elastic(i_grid+1) + xs_out = (ONE - f) * nuc % elastic(i_grid) + f * nuc % elastic(i_grid+1) end function elastic_0K_xs diff --git a/src/global.F90 b/src/global.F90 index 5f32374c59..8b8e929a69 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -406,15 +406,6 @@ contains if (allocated(xs_listings)) deallocate(xs_listings) if (allocated(micro_xs)) deallocate(micro_xs) - ! Deallocate resonance scattering data - if (allocated(res_scatterers)) then - ! First call the clear routines - do i = 1, size(res_scatterers) - call res_scatterers(i) % clear() - end do - deallocate(res_scatterers) - end if - ! Deallocate external source if (allocated(external_source % params_space)) & deallocate(external_source % params_space) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 32ea3e2f64..5cfaa4bb2f 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -602,21 +602,6 @@ contains #endif end if - ! set up resonance scattering treatment - call lower_case(resonance_scattering_ % method(1)) - if (resonance_scattering_ % method(1) /= '') then - treat_res_scat = .true. - n_res_scatterers_total = size(resonance_scattering_ % scatterer) - allocate(res_scatterers(n_res_scatterers_total)) - do i = 1, n_res_scatterers_total - res_scatterers(i) % name = trim(resonance_scattering_ % xs_label(i)) - res_scatterers(i) % name_0K = trim(resonance_scattering_ % xs_0K_label(i)) - res_scatterers(i) % scheme = trim(resonance_scattering_ % method(i)) - res_scatterers(i) % E_min = resonance_scattering_ % E_min(i) - res_scatterers(i) % E_max = resonance_scattering_ % E_max(i) - end do - end if - end subroutine read_settings_xml !=============================================================================== @@ -1223,6 +1208,7 @@ contains else call list_density % append(-nuc % wo) end if + end do INDIVIDUAL_NUCLIDES ! ======================================================================= diff --git a/src/physics.F90 b/src/physics.F90 index fdd4f50f8a..9acdc1393c 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -1,8 +1,8 @@ module physics - use ace_header, only: Nuclide, Reaction, DistEnergy, ResScatterer + use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: elastic_0K_xs + use cross_section, only: elastic_0K_xs use endf, only: reaction_name use error, only: fatal_error, warning use fission, only: nu_total, nu_delayed @@ -638,7 +638,6 @@ contains subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt, xs_eff) type(Nuclide), pointer :: nuc ! target nuclide at temperature - type(ResScatterer), pointer :: nuc_0K => null() ! (resonant) target nuclide at 0K real(8), intent(out) :: v_target(3) real(8), intent(in) :: v_neut(3) @@ -664,7 +663,7 @@ contains logical :: reject ! resample if true - nuc_0K => res_scatterers(nuc % i_0K) + character(80) :: sampling_scheme ! Determine equilibrium temperature in MeV kT = nuc % kT @@ -672,25 +671,30 @@ contains ! Check if nuclide is a resonant scatterer and which sampling scheme ! to use based on neutron energy if (nuc % resonant) then - if (E > nuc_0K % E_max) then + print*, 'aaaaaaaaaa' + sampling_scheme = nuc % scheme + sampling_scheme = trim(sampling_scheme) + if (E > nuc % E_max) then v_target = ZERO return - else if (E < nuc_0K % E_min) then - nuc_0K % scheme = 'cxs' + else if (E < nuc % E_min) then + sampling_scheme = 'cxs' + sampling_scheme = trim(sampling_scheme) end if else if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then v_target = ZERO return else - nuc_0K % scheme = 'cxs' + sampling_scheme = 'cxs' + sampling_scheme = trim(sampling_scheme) end if end if ! reject unless criteria are satisfied reject = .true. - select case (nuc_0K % scheme) + select case (sampling_scheme) case ('cxs') ! calculate beta, alpha beta_vn = sqrt(nuc%awr * E / kT) @@ -784,10 +788,10 @@ contains ! determine velocity vector of target nucleus based on neutron's velocity ! and the sampled angle between them v_target = vt * rotate_angle(uvw, mu) - + ! adjust particle weight E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = elastic_0K_xs(E_rel, nuc_0K, nuc % i_0K) + xs_0K = elastic_0K_xs(E_rel, nuc) wcf = xs_0K / xs_eff wgt = wcf * wgt From 2c5d1ac4500fd901027bc9a4727d6f71cba32b46 Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 27 Nov 2013 00:18:39 -0800 Subject: [PATCH 030/187] wcm w/ arbitrary number of nuclides tentatively working --- src/ace.F90 | 116 +++++++++++++++++++++++++---------- src/ace_header.F90 | 33 ++++++++-- src/cross_section.F90 | 61 +++++++++--------- src/energy_grid.F90 | 22 ++++++- src/global.F90 | 15 ++++- src/input_xml.F90 | 17 ++++- src/physics.F90 | 5 +- src/templates/settings_t.xml | 12 ++-- 8 files changed, 201 insertions(+), 80 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 005a17d17c..02eafa6911 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -35,6 +35,7 @@ contains integer :: i ! index in materials array integer :: j ! index over nuclides in material integer :: k ! index over S(a,b) tables in material + integer :: n ! index over resonant scatterers integer :: i_listing ! index in xs_listings array integer :: i_nuclide ! index in nuclides integer :: i_sab ! index in sab_tables @@ -64,7 +65,7 @@ contains NUCLIDE_LOOP: do j = 1, mat % n_nuclides name = mat % names(j) - print*, name + if (.not. already_read % contains(name)) then i_listing = xs_listing_dict % get_key(name) i_nuclide = nuclide_dict % get_key(name) @@ -79,6 +80,25 @@ contains ! array call read_ace_table(i_nuclide, i_listing) + if (treat_res_scat) then + do n = 1, n_res_scatterers_total + if (name == nuclides_0K(n) % name) then + nuclides(i_nuclide) % resonant = .true. + nuclides(i_nuclide) % name_0K = nuclides_0K(n) % name_0K + nuclides(i_nuclide) % name_0K = trim(nuclides(i_nuclide) % name_0K) + nuclides(i_nuclide) % scheme = nuclides_0K(n) % scheme + nuclides(i_nuclide) % scheme = trim(nuclides(i_nuclide) % scheme) + nuclides(i_nuclide) % E_min = nuclides_0K(n) % E_min + nuclides(i_nuclide) % E_max = nuclides_0K(n) % E_max + if (.not. already_read % contains(nuclides(i_nuclide) % name_0K)) then + i_listing = xs_listing_dict % get_key(nuclides(i_nuclide) % name_0K) + call read_ace_table(i_nuclide, i_listing) + end if + exit + end if + end do + end if + ! Add name and alias to dictionary call already_read % add(name) call already_read % add(alias) @@ -206,6 +226,7 @@ contains type(Nuclide), pointer :: nuc => null() type(SAlphaBeta), pointer :: sab => null() type(XsListing), pointer :: listing => null() + type(SetChar) :: already_read ! determine path, record length, and location of table listing => xs_listings(i_listing) @@ -301,18 +322,22 @@ contains select case(listing % type) case (ACE_NEUTRON) nuc => nuclides(i_table) - nuc % name = name - nuc % awr = awr - nuc % kT = kT - nuc % zaid = NXS(2) + if (trim(adjustl(name)) /= nuc % name_0K) then + nuc % name = name + nuc % awr = awr + nuc % kT = kT + nuc % zaid = NXS(2) + end if ! read all blocks call read_esz(nuc) - call read_nu_data(nuc) - call read_reactions(nuc) - call read_angular_dist(nuc) - call read_energy_dist(nuc) - call read_unr_res(nuc) + if (.not. allocated(nuc % energy_0K)) then + call read_nu_data(nuc) + call read_reactions(nuc) + call read_angular_dist(nuc) + call read_energy_dist(nuc) + call read_unr_res(nuc) + end if ! Currently subcritical fixed source calculations are not allowed. Thus, ! if any fissionable material is found in a fixed source calculation, @@ -326,7 +351,9 @@ contains ! sections so that we don't need to call the nu_total function during ! cross section lookups - if (nuc % fissionable) call generate_nu_fission(nuc) + if (nuc % fissionable .and. .not. allocated(nuc % energy_0K)) then + call generate_nu_fission(nuc) + end if case (ACE_THERMAL) sab => sab_tables(i_table) @@ -357,35 +384,58 @@ contains ! determine number of energy points NE = NXS(3) - nuc % n_grid = NE ! allocate storage for energy grid and cross section arrays - allocate(nuc % energy(NE)) - allocate(nuc % total(NE)) - allocate(nuc % elastic(NE)) - allocate(nuc % fission(NE)) - allocate(nuc % nu_fission(NE)) - allocate(nuc % absorption(NE)) + if (allocated(nuc % energy)) then + nuc % n_grid_0K = NE + allocate(nuc % energy_0K(NE)) + allocate(nuc % elastic_0K(NE)) - ! initialize cross sections - nuc % total = ZERO - nuc % elastic = ZERO - nuc % fission = ZERO - nuc % nu_fission = ZERO - nuc % absorption = ZERO + nuc % elastic_0K = ZERO - ! Read data from XSS -- only the energy grid, elastic scattering and heating - ! cross section values are actually read from here. The total and absorption - ! cross sections are reconstructed from the partial reaction data. + ! Read data from XSS -- only the energy grid, elastic scattering and heating + ! cross section values are actually read from here. The total and absorption + ! cross sections are reconstructed from the partial reaction data. - XSS_index = 1 - nuc % energy = get_real(NE) + XSS_index = 1 + nuc % energy_0K = get_real(NE) - ! Skip total and absorption - XSS_index = XSS_index + 2*NE + ! Skip total and absorption + XSS_index = XSS_index + 2*NE + + ! Continue reading elastic scattering and heating + nuc % elastic_0K = get_real(NE) - ! Continue reading elastic scattering and heating - nuc % elastic = get_real(NE) + else + nuc % n_grid = NE + allocate(nuc % energy(NE)) + allocate(nuc % total(NE)) + allocate(nuc % elastic(NE)) + allocate(nuc % fission(NE)) + allocate(nuc % nu_fission(NE)) + allocate(nuc % absorption(NE)) + + ! initialize cross sections + nuc % total = ZERO + nuc % elastic = ZERO + nuc % fission = ZERO + nuc % nu_fission = ZERO + nuc % absorption = ZERO + + ! Read data from XSS -- only the energy grid, elastic scattering and heating + ! cross section values are actually read from here. The total and absorption + ! cross sections are reconstructed from the partial reaction data. + + XSS_index = 1 + nuc % energy = get_real(NE) + + ! Skip total and absorption + XSS_index = XSS_index + 2*NE + + ! Continue reading elastic scattering and heating + nuc % elastic = get_real(NE) + + end if end subroutine read_esz diff --git a/src/ace_header.F90 b/src/ace_header.F90 index b880032070..8e41e77c48 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -112,8 +112,11 @@ module ace_header logical :: resonant = .false. ! resonant scatterer? character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c character(16) :: scheme ! target velocity sampling scheme - real(8), allocatable :: xs_cdf(:) ! CDF of v_rel times cross section + integer :: n_grid_0K + real(8), allocatable :: grid_index_0K(:) ! pointers to union grid + real(8), allocatable :: energy_0K(:) ! energy grid for 0K xs real(8), allocatable :: elastic_0K(:) ! Microscopic elastic cross section + real(8), allocatable :: xs_cdf(:) ! CDF of v_rel times cross section real(8) :: E_min ! lower cutoff energy for res scattering real(8) :: E_max ! upper cutoff energy for res scattering @@ -151,7 +154,23 @@ module ace_header contains procedure :: clear => nuclide_clear ! Deallocates Nuclide end type Nuclide - + +!=============================================================================== +! NUCLIDE_0K contains all 0K cross section data and other parameters needed to +! treat resonance scattering +!=============================================================================== + + type Nuclide0K + + character(10) :: nuclide ! name of nuclide, e.g. U-238 + character(16) :: scheme ! target velocity sampling scheme + character(10) :: name ! name of nuclide, e.g. 92235.03c + character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c + real(8) :: E_min ! lower cutoff energy for res scattering + real(8) :: E_max ! upper cutoff energy for res scattering + + end type Nuclide0K + !=============================================================================== ! SALPHABETA contains S(a,b) data for thermal neutron scattering, typically off ! of light isotopes such as water, graphite, Be, etc @@ -328,10 +347,16 @@ module ace_header if (allocated(this % grid_index)) & deallocate(this % grid_index) + if (allocated(this % grid_index_0K)) & + deallocate(this % grid_index_0K) + if (allocated(this % energy)) & deallocate(this % total, this % elastic, this % fission, & - this % nu_fission, this % absorption, & - this % elastic_0K, this % xs_cdf) + this % nu_fission, this % absorption) + + if (allocated(this % energy_0K)) & + deallocate(this % elastic_0K, this % xs_cdf) + if (allocated(this % heating)) & deallocate(this % heating) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 086d758afc..7a30330a1d 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -468,6 +468,7 @@ contains ! if particle's energy is outside of energy grid range, set to first or last ! index. Otherwise, do a binary search through the union energy grid. + if (E < e_grid(1)) then union_grid_index = 1 elseif (E > e_grid(n_grid)) then @@ -488,42 +489,42 @@ contains type(Nuclide), pointer :: nuc ! target nuclide at temperature integer :: i_grid ! index on nuclide energy grid real(8) :: f ! interp factor on nuclide energy grid - real(8), intent(in) :: E ! trial energy + real(8), intent(inout) :: E ! trial energy real(8) :: xs_out ! Determine index on nuclide energy grid select case (grid_method) - case (GRID_UNION) - ! If we're using the unionized grid with pointers, finding the index on - ! the nuclide energy grid is as simple as looking up the pointer - - call find_energy_index(E) - i_grid = nuc % grid_index(union_grid_index) - - case (GRID_NUCLIDE) - ! If we're not using the unionized grid, we have to do a binary search on - ! the nuclide energy grid in order to determine which points to - ! interpolate between - - if (E < nuc % energy(1)) then - i_grid = 1 - elseif (E > nuc % energy(nuc % n_grid)) then - i_grid = nuc % n_grid - 1 - else - i_grid = binary_search(nuc % energy, nuc % n_grid, E) - end if - - end select - - ! check for rare case where two energy points are the same - if (nuc % energy(i_grid) == nuc % energy(i_grid+1)) i_grid = i_grid + 1 + case (GRID_UNION) + ! If we're using the unionized grid with pointers, finding the index on + ! the nuclide energy grid is as simple as looking up the pointer - ! calculate interpolation factor - f = (E - nuc%energy(i_grid))/(nuc%energy(i_grid+1) - nuc%energy(i_grid)) + call find_energy_index(E) + i_grid = nuc % grid_index_0K(union_grid_index) - ! Calculate microscopic nuclide elastic cross section - xs_out = (ONE - f) * nuc % elastic(i_grid) + f * nuc % elastic(i_grid+1) + case (GRID_NUCLIDE) + ! If we're not using the unionized grid, we have to do a binary search on + ! the nuclide energy grid in order to determine which points to + ! interpolate between - end function elastic_0K_xs + if (E < nuc % energy(1)) then + i_grid = 1 + elseif (E > nuc % energy(nuc % n_grid)) then + i_grid = nuc % n_grid - 1 + else + i_grid = binary_search(nuc % energy, nuc % n_grid, E) + end if + + end select + + ! check for rare case where two energy points are the same + if (nuc % energy_0K(i_grid) == nuc % energy_0K(i_grid+1)) i_grid = i_grid + 1 + + ! calculate interpolation factor + f = (E - nuc%energy_0K(i_grid))/(nuc%energy_0K(i_grid+1) - nuc%energy_0K(i_grid)) + + ! Calculate microscopic nuclide elastic cross section + xs_out = (ONE - f) * nuc % elastic_0K(i_grid) + f * nuc % elastic_0K(i_grid+1) + + end function elastic_0K_xs end module cross_section diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 66b95be0de..41f79d1ad3 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -28,6 +28,7 @@ contains do i = 1, n_nuclides_total nuc => nuclides(i) call add_grid_points(list, nuc % energy) + if (nuc % resonant) call add_grid_points(list, nuc % energy_0K) end do ! Set size of unionized energy grid @@ -132,10 +133,10 @@ contains do i = 1, n_nuclides_total nuc => nuclides(i) allocate(nuc % grid_index(n_grid)) - + index_e = 1 energy = nuc % energy(index_e) - + do j = 1, n_grid union_energy = e_grid(j) if (union_energy >= energy .and. index_e < nuc % n_grid) then @@ -144,6 +145,23 @@ contains end if nuc % grid_index(j) = index_e - 1 end do + + if (nuc % resonant) then + allocate(nuc % grid_index_0K(n_grid)) + + index_e = 1 + energy = nuc % energy_0K(index_e) + + do j = 1, n_grid + union_energy = e_grid(j) + if (union_energy >= energy .and. index_e < nuc % n_grid_0K) then + index_e = index_e + 1 + energy = nuc % energy_0K(index_e) + end if + nuc % grid_index_0K(j) = index_e - 1 + end do + end if + end do end subroutine grid_pointers diff --git a/src/global.F90 b/src/global.F90 index 8b8e929a69..dac10ee8ac 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -1,7 +1,7 @@ module global use ace_header, only: Nuclide, SAlphaBeta, xsListing, NuclideMicroXS, & - MaterialMacroXS + MaterialMacroXS, Nuclide0K use bank_header, only: Bank use cmfd_header use constants @@ -367,7 +367,14 @@ module global logical :: output_summary = .false. logical :: output_xs = .false. logical :: output_tallies = .true. - + + ! ============================================================================ + ! RESONANCE SCATTERING VARIABLES + + logical :: treat_res_scat = .false. + integer :: n_res_scatterers_total = 0 + type(Nuclide0K), allocatable, target :: nuclides_0K(:) ! 0K nuclides + !$omp threadprivate(micro_xs, material_xs, fission_bank, n_bank, message, & !$omp& trace, thread_id, current_work, matching_bins) @@ -402,6 +409,10 @@ contains deallocate(nuclides) end if + if (allocated(nuclides_0K)) then + deallocate(nuclides_0K) + end if + if (allocated(sab_tables)) deallocate(sab_tables) if (allocated(xs_listings)) deallocate(xs_listings) if (allocated(micro_xs)) deallocate(micro_xs) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 5cfaa4bb2f..af4d289fe0 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -602,6 +602,21 @@ contains #endif end if + ! Resonance scattering parameters + if (lbound(resonance_scattering_ % scatterer, 1) > 0) then + treat_res_scat = .true. + n_res_scatterers_total = size(resonance_scattering_ % scatterer) + allocate(nuclides_0K(n_res_scatterers_total)) + do i = 1, n_res_scatterers_total + nuclides_0K(i) % nuclide = trim(resonance_scattering_ % scatterer(i)) + nuclides_0K(i) % scheme = trim(resonance_scattering_ % method(i)) + nuclides_0K(i) % name = trim(resonance_scattering_ % xs_label(i)) + nuclides_0K(i) % name_0K = trim(resonance_scattering_ % xs_label_0K(i)) + nuclides_0K(i) % E_min = resonance_scattering_ % E_min(i) + nuclides_0K(i) % E_max = resonance_scattering_ % E_max(i) + end do + end if + end subroutine read_settings_xml !=============================================================================== @@ -1301,7 +1316,7 @@ contains else mat % nuclide(j) = nuclide_dict % get_key(name) end if - + ! Copy name and atom/weight percent mat % names(j) = name mat % atom_density(j) = list_density % get_item(j) diff --git a/src/physics.F90 b/src/physics.F90 index 9acdc1393c..45660f50cb 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -655,7 +655,6 @@ contains real(8) :: beta_vt ! beta * speed of target real(8) :: beta_vt_sq ! (beta * speed of target)^2 real(8) :: vt ! speed of target -! real(8) :: E_old ! tmp storage of current energy real(8) :: E_rel ! trial relative energy real(8) :: xs_0K ! 0K xs at E_rel real(8) :: xs_eff ! effective elastic xs at temperature T @@ -671,7 +670,6 @@ contains ! Check if nuclide is a resonant scatterer and which sampling scheme ! to use based on neutron energy if (nuc % resonant) then - print*, 'aaaaaaaaaa' sampling_scheme = nuc % scheme sampling_scheme = trim(sampling_scheme) if (E > nuc % E_max) then @@ -794,6 +792,9 @@ contains xs_0K = elastic_0K_xs(E_rel, nuc) wcf = xs_0K / xs_eff wgt = wcf * wgt + if (wgt < ZERO) then +! print*, wgt, wcf, xs_0K, xs_eff + end if case default message = "Not a recognized resonance scattering treatment!" diff --git a/src/templates/settings_t.xml b/src/templates/settings_t.xml index dbceb7550d..57710206bf 100644 --- a/src/templates/settings_t.xml +++ b/src/templates/settings_t.xml @@ -43,12 +43,12 @@ - - - - - - + + + + + + From b3b02b8370d4ed02e382f3f1fc79307c7c58fd2e Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 27 Nov 2013 07:36:22 -0800 Subject: [PATCH 031/187] DBRC tentatively working --- src/physics.F90 | 124 ++++++++++++++++++++++++++++++++++++++++++++++-- 1 file changed, 119 insertions(+), 5 deletions(-) diff --git a/src/physics.F90 b/src/physics.F90 index 45660f50cb..012fbd2bd8 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,7 +2,8 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: elastic_0K_xs + use cross_section, only: elastic_0K_xs, find_energy_index, & + union_grid_index use endf, only: reaction_name use error, only: fatal_error, warning use fission, only: nu_total, nu_delayed @@ -641,7 +642,7 @@ contains real(8), intent(out) :: v_target(3) real(8), intent(in) :: v_neut(3) - real(8), intent(in) :: E + real(8), intent(inout) :: E real(8), intent(in) :: uvw(3) real(8), intent(inout) :: wgt @@ -659,6 +660,18 @@ contains real(8) :: xs_0K ! 0K xs at E_rel real(8) :: xs_eff ! effective elastic xs at temperature T real(8) :: wcf ! weight correction factor + real(8) :: E_red ! reduced energy + real(8) :: E_low ! lowest practical relative energy + real(8) :: E_up ! highest practical relative energy + real(8) :: E_old ! tmp storage of current energy + real(8) :: awr ! target/neutron mass ratio + integer :: i_E_low ! 0K index to lowest practical relative energy + integer :: i_E_up ! 0K index to highest practical relative energy + real(8) :: xs_max ! max 0K xs over practical relative energies + real(8) :: xs_low ! 0K xs at lowest practical relative energy + real(8) :: xs_up ! 0K xs at highest practical relative energy + real(8) :: m ! slope for interpolation + real(8) :: R_dbrc ! DBRC rejection criterion logical :: reject ! resample if true @@ -666,6 +679,7 @@ contains ! Determine equilibrium temperature in MeV kT = nuc % kT + awr = nuc % awr ! Check if nuclide is a resonant scatterer and which sampling scheme ! to use based on neutron energy @@ -792,9 +806,109 @@ contains xs_0K = elastic_0K_xs(E_rel, nuc) wcf = xs_0K / xs_eff wgt = wcf * wgt - if (wgt < ZERO) then -! print*, wgt, wcf, xs_0K, xs_eff - end if + + case ('dbrc') + ! reduced neutron energy + E_red = sqrt((awr * E) / kT) + + ! lower limit for range that max xs is determined over + E_low = (((E_red - 4.0_8)**2) * kT) / awr + + ! upper limit for range that max xs is determined over + E_up = (((E_red + 4.0_8)**2) * kT) / awr + + ! incident neutron energy + E_old = E + + ! find index and calculate 0K xs at lower energy bound + E = E_low + call find_energy_index(E) + ! nuclide energy grid index + i_E_low = nuc % grid_index(union_grid_index) + + ! find index and calculate 0K xs at upper energy bound + E = E_up + call find_energy_index(E) + ! nuclide energy grid index + i_E_up = nuc % grid_index(union_grid_index) + + ! reset particle energy to incident value + ! (it was only changed to calculate 0K xs at different energies) + E = E_old + + ! xs at lower bounding index + xs_low = nuc % elastic_0K(i_E_low) + + ! slope + m = (nuc % elastic_0K(i_E_low + 1) - xs_low) & + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + + ! actual lower bound 0K xs + xs_low = xs_low + m * (E_low - nuc % energy_0K(i_E_low)) + + ! xs at upper bounding index + xs_up = nuc % elastic_0K(i_E_up) + + ! slope + m = (nuc % elastic_0K(i_E_up + 1) - xs_up) & + & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) + + ! actual upper bound 0K xs + xs_up = xs_up + m * (E_up - nuc % energy_0K(i_E_up)) + + ! get max 0K xs value + xs_max = max(xs_low, maxval(nuc % elastic_0K(i_E_low + 1 : i_E_up - 1)), xs_up) + + ! calculate beta + beta_vn = sqrt(awr * E / kT) + alpha = ONE / (ONE + sqrt(pi) * beta_vn / TWO) + + do + ! Sample two random numbers + r1 = prn() + r2 = prn() + + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler + beta_vt_sq = -log(r1 * r2) + else + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler + c = cos(PI / TWO * prn()) + beta_vt_sq = -log(r1) - log(r2) * c**2 + end if + + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) + + ! Sample cosine of angle between neutron and target velocity + mu = TWO * prn() - ONE + + ! Determine rejection probability + accept_prob = sqrt(beta_vn * beta_vn + beta_vt_sq - 2 * beta_vn * beta_vt * mu) & + / (beta_vn + beta_vt) + + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) then + vt = sqrt(beta_vt_sq * kT / awr) + v_target = vt * rotate_angle(uvw, mu) + + E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) + + xs_0K = elastic_0K_xs(E_rel, nuc) + + R_dbrc = xs_0K / xs_max + + if (prn() < R_dbrc) then + reject = .false. + end if + end if + + if (.not. reject) exit + end do case default message = "Not a recognized resonance scattering treatment!" From 9b03eedc90d9d4b0147866b0fda0949f6626376b Mon Sep 17 00:00:00 2001 From: walshjon Date: Sun, 1 Dec 2013 18:03:11 -0800 Subject: [PATCH 032/187] fixed calculation of 0K xs --- src/ace_header.F90 | 5 ++++- src/physics.F90 | 9 ++++----- 2 files changed, 8 insertions(+), 6 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 8e41e77c48..a19795d8eb 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -355,7 +355,10 @@ module ace_header this % nu_fission, this % absorption) if (allocated(this % energy_0K)) & - deallocate(this % elastic_0K, this % xs_cdf) + deallocate(this % elastic_0K) + + if (allocated(this % xs_cdf)) & + deallocate(this % xs_cdf) if (allocated(this % heating)) & deallocate(this % heating) diff --git a/src/physics.F90 b/src/physics.F90 index 012fbd2bd8..2c16402023 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -824,13 +824,13 @@ contains E = E_low call find_energy_index(E) ! nuclide energy grid index - i_E_low = nuc % grid_index(union_grid_index) + i_E_low = nuc % grid_index_0K(union_grid_index) ! find index and calculate 0K xs at upper energy bound E = E_up call find_energy_index(E) ! nuclide energy grid index - i_E_up = nuc % grid_index(union_grid_index) + i_E_up = nuc % grid_index_0K(union_grid_index) ! reset particle energy to incident value ! (it was only changed to calculate 0K xs at different energies) @@ -894,6 +894,7 @@ contains ! Perform rejection sampling on vt and mu if (prn() < accept_prob) then vt = sqrt(beta_vt_sq * kT / awr) + v_target = vt * rotate_angle(uvw, mu) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) @@ -902,9 +903,7 @@ contains R_dbrc = xs_0K / xs_max - if (prn() < R_dbrc) then - reject = .false. - end if + if (prn() < R_dbrc) reject = .false. end if if (.not. reject) exit From 3c6781facf213f4d09d0a870e6941237d5932b20 Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 6 Dec 2013 19:09:53 -0800 Subject: [PATCH 033/187] new free gas subroutine to remove duplicate code in DBRC, CXS, WCM --- src/Makefile | 4 +- src/ace_header.F90 | 2 +- src/cross_section.F90 | 9 +- src/energy_grid.F90 | 4 +- src/global.F90 | 6 +- src/input_xml.F90 | 3 +- src/physics.F90 | 451 ++++++++++++++++++------------------------ 7 files changed, 202 insertions(+), 277 deletions(-) diff --git a/src/Makefile b/src/Makefile index 94da0f5288..03c370e07a 100644 --- a/src/Makefile +++ b/src/Makefile @@ -13,7 +13,7 @@ COMPILER = gnu DEBUG = no PROFILE = no OPTIMIZE = no -MPI = yes +MPI = no OPENMP = no HDF5 = no PETSC = no @@ -22,7 +22,7 @@ PETSC = no # External Library Paths #=============================================================================== -MPI_DIR = /opt/mpich/3.0.2-$(COMPILER) +MPI_DIR = /opt/mpich/3.0.4-$(COMPILER) HDF5_DIR = /opt/hdf5/1.8.11-$(COMPILER) PHDF5_DIR = /opt/phdf5/1.8.11-$(COMPILER) PETSC_DIR = /opt/petsc/3.4.2-$(COMPILER) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index a19795d8eb..de9d115b3f 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -112,7 +112,7 @@ module ace_header logical :: resonant = .false. ! resonant scatterer? character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c character(16) :: scheme ! target velocity sampling scheme - integer :: n_grid_0K + integer :: n_grid_0K ! number of 0K energy grid points real(8), allocatable :: grid_index_0K(:) ! pointers to union grid real(8), allocatable :: energy_0K(:) ! energy grid for 0K xs real(8), allocatable :: elastic_0K(:) ! Microscopic elastic cross section diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 7a30330a1d..a8be4f5c87 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -468,7 +468,6 @@ contains ! if particle's energy is outside of energy grid range, set to first or last ! index. Otherwise, do a binary search through the union energy grid. - if (E < e_grid(1)) then union_grid_index = 1 elseif (E > e_grid(n_grid)) then @@ -480,11 +479,11 @@ contains end subroutine find_energy_index !=============================================================================== -! ELASTIC_0K_XS determines the microscopic 0K elastic cross section for a -! nuclide of a given index in the nuclides array at the energy of the particle +! CALCULATE_0K_ELASTIC_XS determines the microscopic 0K elastic cross section +! for a given nuclide at the trial relative energy used in resonance scattering !=============================================================================== - function elastic_0K_xs(E, nuc) result(xs_out) + function calculate_0K_elastic_xs(E, nuc) result(xs_out) type(Nuclide), pointer :: nuc ! target nuclide at temperature integer :: i_grid ! index on nuclide energy grid @@ -525,6 +524,6 @@ contains ! Calculate microscopic nuclide elastic cross section xs_out = (ONE - f) * nuc % elastic_0K(i_grid) + f * nuc % elastic_0K(i_grid+1) - end function elastic_0K_xs + end function calculate_0K_elastic_xs end module cross_section diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 41f79d1ad3..097b74ff5d 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -133,10 +133,10 @@ contains do i = 1, n_nuclides_total nuc => nuclides(i) allocate(nuc % grid_index(n_grid)) - + index_e = 1 energy = nuc % energy(index_e) - + do j = 1, n_grid union_energy = e_grid(j) if (union_energy >= energy .and. index_e < nuc % n_grid) then diff --git a/src/global.F90 b/src/global.F90 index dac10ee8ac..9f646ba04e 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -68,9 +68,9 @@ module global type(NuclideMicroXS), allocatable :: micro_xs(:) ! Cache for each nuclide type(MaterialMacroXS) :: material_xs ! Cache for current material - integer :: n_nuclides_total ! Number of nuclide cross section tables - integer :: n_sab_tables ! Number of S(a,b) thermal scattering tables - integer :: n_listings ! Number of listings in cross_sections.xml + integer :: n_nuclides_total ! Number of nuclide cross section tables + integer :: n_sab_tables ! Number of S(a,b) thermal scattering tables + integer :: n_listings ! Number of listings in cross_sections.xml ! Dictionaries to look up cross sections and listings type(DictCharInt) :: nuclide_dict diff --git a/src/input_xml.F90 b/src/input_xml.F90 index cc55a242b8..95c6ab5f8f 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -1457,7 +1457,6 @@ contains call get_node_value(node_nuc, "wo", temp_dble) call list_density % append(-temp_dble) end if - end do INDIVIDUAL_NUCLIDES ! ======================================================================= @@ -1557,7 +1556,7 @@ contains else mat % nuclide(j) = nuclide_dict % get_key(name) end if - + ! Copy name and atom/weight percent mat % names(j) = name mat % atom_density(j) = list_density % get_item(j) diff --git a/src/physics.F90 b/src/physics.F90 index 2c16402023..722678cd9b 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,7 +2,7 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: elastic_0K_xs, find_energy_index, & + use cross_section, only: calculate_0K_elastic_xs, find_energy_index, & union_grid_index use endf, only: reaction_name use error, only: fatal_error, warning @@ -435,7 +435,8 @@ contains ! Sample velocity of target nucleus if (.not. micro_xs(i_nuclide) % use_ptable) then - call sample_target_velocity(nuc, v_t, E, uvw, v_n, wgt, micro_xs(i_nuclide) % elastic) + call sample_target_velocity(nuc, v_t, E, uvw, v_n, wgt, & + & micro_xs(i_nuclide) % elastic) else v_t = ZERO end if @@ -628,9 +629,8 @@ contains end subroutine sab_scatter !=============================================================================== -! SAMPLE_TARGET_VELOCITY samples the target velocity based on the free gas -! scattering formulation used by most Monte Carlo codes. Excellent documentation -! for this method can be found in FRA-TM-123. Methods for correctly accounting +! SAMPLE_TARGET_VELOCITY samples the target velocity. The constant cross section +! free gas model is the default method. Methods for correctly accounting ! for the energy dependence of cross sections in treating resonance elastic ! scattering such as the DBRC, WCM, and a new, accelerated scheme are also ! implemented here. @@ -638,15 +638,151 @@ contains subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt, xs_eff) - type(Nuclide), pointer :: nuc ! target nuclide at temperature + type(Nuclide), pointer :: nuc ! target nuclide at temperature - real(8), intent(out) :: v_target(3) - real(8), intent(in) :: v_neut(3) - real(8), intent(inout) :: E - real(8), intent(in) :: uvw(3) - real(8), intent(inout) :: wgt + real(8), intent(out) :: v_target(3) ! target velocity + real(8), intent(in) :: v_neut(3) ! neutron velocity + real(8), intent(in) :: E ! particle energy + real(8), intent(in) :: uvw(3) ! direction cosines + real(8), intent(inout) :: wgt ! particle weight + + real(8) :: awr ! target/neutron mass ratio + real(8) :: kT ! equilibrium temperature of target in MeV + real(8) :: E_rel ! trial relative energy + real(8) :: xs_0K ! 0K xs at E_rel + real(8) :: xs_eff ! effective elastic xs at temperature T + real(8) :: wcf ! weight correction factor + real(8) :: E_red ! reduced energy (same as used by Cullen in SIGMA1) + real(8) :: E_low ! lowest practical relative energy + real(8) :: E_up ! highest practical relative energy + real(8) :: xs_max ! max 0K xs over practical relative energies + real(8) :: xs_low ! 0K xs at lowest practical relative energy + real(8) :: xs_up ! 0K xs at highest practical relative energy + real(8) :: m ! slope for interpolation + real(8) :: R_dbrc ! DBRC rejection criterion + + integer :: i_E_low ! 0K index to lowest practical relative energy + integer :: i_E_up ! 0K index to highest practical relative energy + + logical :: reject ! resample if true + + character(80) :: sampling_scheme ! method of target velocity sampling + + kT = nuc % kT + awr = nuc % awr + + ! Check if nuclide is a resonant scatterer + if (nuc % resonant) then + + ! sampling scheme to use + sampling_scheme = nuc % scheme + sampling_scheme = trim(sampling_scheme) + + ! upper resonance scattering energy bound (target is at rest above this E) + if (E > nuc % E_max) then + v_target = ZERO + return + + ! lower resonance scattering energy bound (should be no resonances below) + else if (E < nuc % E_min) then + sampling_scheme = 'cxs' + sampling_scheme = trim(sampling_scheme) + end if + + ! Otherwise, use free gas model + else + if (E >= FREE_GAS_THRESHOLD * kT .and. awr > ONE) then + v_target = ZERO + return + else + sampling_scheme = 'cxs' + sampling_scheme = trim(sampling_scheme) + end if + end if + + ! Use appropriate target velocity sampling method + select case (sampling_scheme) + + case ('cxs') + + ! sample target velocity with the constant cross section (cxs) approx. + call sample_cxs_target_velocity(nuc, v_target, E, uvw) + + case ('wcm') + + ! sample target velocity with the constant cross section (cxs) approx. + call sample_cxs_target_velocity(nuc, v_target, E, uvw) + + ! Adjust weight as prescribed by the weight correction method (wcm) + E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) + xs_0K = calculate_0K_elastic_xs(E_rel, nuc) + wcf = xs_0K / xs_eff + wgt = wcf * wgt + + case ('dbrc') + E_red = sqrt((awr * E) / kT) + E_low = (((E_red - 4.0_8)**2) * kT) / awr + E_up = (((E_red + 4.0_8)**2) * kT) / awr + + ! find lower and upper energy bound indices + call find_energy_index(E_low) + i_E_low = nuc % grid_index_0K(union_grid_index) + call find_energy_index(E_up) + i_E_up = nuc % grid_index_0K(union_grid_index) + + ! interpolate xs since we're not exactly at the energy indices + xs_low = nuc % elastic_0K(i_E_low) + m = (nuc % elastic_0K(i_E_low + 1) - xs_low) & + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + xs_low = xs_low + m * (E_low - nuc % energy_0K(i_E_low)) + xs_up = nuc % elastic_0K(i_E_up) + m = (nuc % elastic_0K(i_E_up + 1) - xs_up) & + & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) + xs_up = xs_up + m * (E_up - nuc % energy_0K(i_E_up)) + + ! get max 0K xs value over range of practical relative energies + xs_max = max(xs_low, & + & maxval(nuc % elastic_0K(i_E_low + 1 : i_E_up - 1)), xs_up) + + reject = .true. + + ! sample target velocities until one is accepted by the DBRC + do + + ! sample target velocity with the constant cross section (cxs) approx. + call sample_cxs_target_velocity(nuc, v_target, E, uvw) + + ! perform Doppler broadening rejection correction (dbrc) + E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) + xs_0K = calculate_0K_elastic_xs(E_rel, nuc) + R_dbrc = xs_0K / xs_max + if (prn() < R_dbrc) reject = .false. + if (.not. reject) exit + end do + + case default + message = "Not a recognized resonance scattering treatment!" + call fatal_error() + end select + + end subroutine sample_target_velocity + +!=============================================================================== +! SAMPLE_CXS_TARGET_VELOCITY samples a target velocity based on the free gas +! scattering formulation, used by most Monte Carlo codes, in which cross section +! is assumed to be constant in energy. Excellent documentation for this method +! can be found in FRA-TM-123. +!=============================================================================== + + subroutine sample_cxs_target_velocity(nuc, v_target, E, uvw) + + type(Nuclide), pointer :: nuc ! target nuclide at temperature + real(8), intent(out) :: v_target(3) + real(8), intent(in) :: E + real(8), intent(in) :: uvw(3) real(8) :: kT ! equilibrium temperature of target in MeV + real(8) :: awr ! target/neutron mass ratio real(8) :: alpha ! probability of sampling f2 over f1 real(8) :: mu ! cosine of angle between neutron and target vel real(8) :: r1, r2 ! pseudo-random numbers @@ -656,265 +792,56 @@ contains real(8) :: beta_vt ! beta * speed of target real(8) :: beta_vt_sq ! (beta * speed of target)^2 real(8) :: vt ! speed of target - real(8) :: E_rel ! trial relative energy - real(8) :: xs_0K ! 0K xs at E_rel - real(8) :: xs_eff ! effective elastic xs at temperature T - real(8) :: wcf ! weight correction factor - real(8) :: E_red ! reduced energy - real(8) :: E_low ! lowest practical relative energy - real(8) :: E_up ! highest practical relative energy - real(8) :: E_old ! tmp storage of current energy - real(8) :: awr ! target/neutron mass ratio - integer :: i_E_low ! 0K index to lowest practical relative energy - integer :: i_E_up ! 0K index to highest practical relative energy - real(8) :: xs_max ! max 0K xs over practical relative energies - real(8) :: xs_low ! 0K xs at lowest practical relative energy - real(8) :: xs_up ! 0K xs at highest practical relative energy - real(8) :: m ! slope for interpolation - real(8) :: R_dbrc ! DBRC rejection criterion - logical :: reject ! resample if true - - character(80) :: sampling_scheme - - ! Determine equilibrium temperature in MeV kT = nuc % kT awr = nuc % awr - ! Check if nuclide is a resonant scatterer and which sampling scheme - ! to use based on neutron energy - if (nuc % resonant) then - sampling_scheme = nuc % scheme - sampling_scheme = trim(sampling_scheme) - if (E > nuc % E_max) then - v_target = ZERO - return - else if (E < nuc % E_min) then - sampling_scheme = 'cxs' - sampling_scheme = trim(sampling_scheme) - end if - else - if (E >= FREE_GAS_THRESHOLD * kT .and. nuc % awr > ONE) then - v_target = ZERO - return + beta_vn = sqrt(awr * E / kT) + alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) + + do + ! Sample two random numbers + r1 = prn() + r2 = prn() + + if (prn() < alpha) then + ! With probability alpha, we sample the distribution p(y) = + ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte + ! Carlo sampler + + beta_vt_sq = -log(r1*r2) + else - sampling_scheme = 'cxs' - sampling_scheme = trim(sampling_scheme) + ! With probability 1-alpha, we sample the distribution p(y) = y^2 * + ! e^(-y^2). This can be done with sampling scheme C61 from the Monte + ! Carlo sampler + + c = cos(PI/TWO * prn()) + beta_vt_sq = -log(r1) - log(r2)*c*c end if - end if - - ! reject unless criteria are satisfied - reject = .true. + + ! Determine beta * vt + beta_vt = sqrt(beta_vt_sq) + + ! Sample cosine of angle between neutron and target velocity + mu = TWO*prn() - ONE + + ! Determine rejection probability + accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & + /(beta_vn + beta_vt) + + ! Perform rejection sampling on vt and mu + if (prn() < accept_prob) exit + end do - select case (sampling_scheme) - case ('cxs') - ! calculate beta, alpha - beta_vn = sqrt(nuc%awr * E / kT) - alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - - do - ! Sample two random numbers - r1 = prn() - r2 = prn() - - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler - - beta_vt_sq = -log(r1*r2) - - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler - - c = cos(PI/TWO * prn()) - beta_vt_sq = -log(r1) - log(r2)*c*c - end if - - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) - - ! Sample cosine of angle between neutron and target velocity - mu = TWO*prn() - ONE - - ! Determine rejection probability - accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) - - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) exit - end do - - ! determine speed of target nucleus - vt = sqrt(beta_vt_sq*kT/nuc % awr) - - ! determine velocity vector of target nucleus based on neutron's velocity - ! and the sampled angle between them - v_target = vt * rotate_angle(uvw, mu) - - case ('wcm') - ! calculate beta, alpha - beta_vn = sqrt(nuc%awr * E / kT) - alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - - do - ! Sample two random numbers - r1 = prn() - r2 = prn() - - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler - - beta_vt_sq = -log(r1*r2) - - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler - - c = cos(PI/TWO * prn()) - beta_vt_sq = -log(r1) - log(r2)*c*c - end if - - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) - - ! Sample cosine of angle between neutron and target velocity - mu = TWO*prn() - ONE - - ! Determine rejection probability - accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & - /(beta_vn + beta_vt) - - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) exit - end do - - ! determine speed of target nucleus - vt = sqrt(beta_vt_sq*kT/nuc % awr) - - ! determine velocity vector of target nucleus based on neutron's velocity - ! and the sampled angle between them - v_target = vt * rotate_angle(uvw, mu) - - ! adjust particle weight - E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = elastic_0K_xs(E_rel, nuc) - wcf = xs_0K / xs_eff - wgt = wcf * wgt - - case ('dbrc') - ! reduced neutron energy - E_red = sqrt((awr * E) / kT) - - ! lower limit for range that max xs is determined over - E_low = (((E_red - 4.0_8)**2) * kT) / awr - - ! upper limit for range that max xs is determined over - E_up = (((E_red + 4.0_8)**2) * kT) / awr - - ! incident neutron energy - E_old = E - - ! find index and calculate 0K xs at lower energy bound - E = E_low - call find_energy_index(E) - ! nuclide energy grid index - i_E_low = nuc % grid_index_0K(union_grid_index) - - ! find index and calculate 0K xs at upper energy bound - E = E_up - call find_energy_index(E) - ! nuclide energy grid index - i_E_up = nuc % grid_index_0K(union_grid_index) - - ! reset particle energy to incident value - ! (it was only changed to calculate 0K xs at different energies) - E = E_old - - ! xs at lower bounding index - xs_low = nuc % elastic_0K(i_E_low) - - ! slope - m = (nuc % elastic_0K(i_E_low + 1) - xs_low) & - & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) - - ! actual lower bound 0K xs - xs_low = xs_low + m * (E_low - nuc % energy_0K(i_E_low)) - - ! xs at upper bounding index - xs_up = nuc % elastic_0K(i_E_up) - - ! slope - m = (nuc % elastic_0K(i_E_up + 1) - xs_up) & - & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) - - ! actual upper bound 0K xs - xs_up = xs_up + m * (E_up - nuc % energy_0K(i_E_up)) - - ! get max 0K xs value - xs_max = max(xs_low, maxval(nuc % elastic_0K(i_E_low + 1 : i_E_up - 1)), xs_up) - - ! calculate beta - beta_vn = sqrt(awr * E / kT) - alpha = ONE / (ONE + sqrt(pi) * beta_vn / TWO) - - do - ! Sample two random numbers - r1 = prn() - r2 = prn() - - if (prn() < alpha) then - ! With probability alpha, we sample the distribution p(y) = - ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte - ! Carlo sampler - beta_vt_sq = -log(r1 * r2) - else - ! With probability 1-alpha, we sample the distribution p(y) = y^2 * - ! e^(-y^2). This can be done with sampling scheme C61 from the Monte - ! Carlo sampler - c = cos(PI / TWO * prn()) - beta_vt_sq = -log(r1) - log(r2) * c**2 - end if - - ! Determine beta * vt - beta_vt = sqrt(beta_vt_sq) - - ! Sample cosine of angle between neutron and target velocity - mu = TWO * prn() - ONE - - ! Determine rejection probability - accept_prob = sqrt(beta_vn * beta_vn + beta_vt_sq - 2 * beta_vn * beta_vt * mu) & - / (beta_vn + beta_vt) - - ! Perform rejection sampling on vt and mu - if (prn() < accept_prob) then - vt = sqrt(beta_vt_sq * kT / awr) - - v_target = vt * rotate_angle(uvw, mu) - - E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - - xs_0K = elastic_0K_xs(E_rel, nuc) - - R_dbrc = xs_0K / xs_max - - if (prn() < R_dbrc) reject = .false. - end if - - if (.not. reject) exit - end do - - case default - message = "Not a recognized resonance scattering treatment!" - call fatal_error() - end select + ! determine speed of target nucleus + vt = sqrt(beta_vt_sq*kT/awr) - end subroutine sample_target_velocity + ! determine velocity vector of target nucleus based on neutron's velocity + ! and the sampled angle between them + v_target = vt * rotate_angle(uvw, mu) + + end subroutine sample_cxs_target_velocity !=============================================================================== ! CREATE_FISSION_SITES determines the average total, prompt, and delayed From e59f05e3c1cd826af2cd9b3d6ede52f3aa41a85e Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 7 Dec 2013 17:31:32 -0800 Subject: [PATCH 034/187] cleaned up error handling, comments --- src/Makefile | 4 +- src/ace.F90 | 31 ++++++----- src/ace_header.F90 | 16 +++--- src/cross_section.F90 | 6 +-- src/energy_grid.F90 | 3 ++ src/global.F90 | 6 +-- src/input_xml.F90 | 112 +++++++++++++++++++++++++++++---------- src/physics.F90 | 38 ++++++------- src/relaxng/settings.rnc | 26 ++++----- 9 files changed, 154 insertions(+), 88 deletions(-) diff --git a/src/Makefile b/src/Makefile index 03c370e07a..94da0f5288 100644 --- a/src/Makefile +++ b/src/Makefile @@ -13,7 +13,7 @@ COMPILER = gnu DEBUG = no PROFILE = no OPTIMIZE = no -MPI = no +MPI = yes OPENMP = no HDF5 = no PETSC = no @@ -22,7 +22,7 @@ PETSC = no # External Library Paths #=============================================================================== -MPI_DIR = /opt/mpich/3.0.4-$(COMPILER) +MPI_DIR = /opt/mpich/3.0.2-$(COMPILER) HDF5_DIR = /opt/hdf5/1.8.11-$(COMPILER) PHDF5_DIR = /opt/phdf5/1.8.11-$(COMPILER) PETSC_DIR = /opt/petsc/3.4.2-$(COMPILER) diff --git a/src/ace.F90 b/src/ace.F90 index 02eafa6911..894d7fcdc0 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -80,18 +80,23 @@ contains ! array call read_ace_table(i_nuclide, i_listing) + ! 0K resonant scatterer information, if treating resonance scattering if (treat_res_scat) then do n = 1, n_res_scatterers_total if (name == nuclides_0K(n) % name) then nuclides(i_nuclide) % resonant = .true. nuclides(i_nuclide) % name_0K = nuclides_0K(n) % name_0K - nuclides(i_nuclide) % name_0K = trim(nuclides(i_nuclide) % name_0K) + nuclides(i_nuclide) % name_0K = trim(nuclides(i_nuclide) % & + & name_0K) nuclides(i_nuclide) % scheme = nuclides_0K(n) % scheme - nuclides(i_nuclide) % scheme = trim(nuclides(i_nuclide) % scheme) + nuclides(i_nuclide) % scheme = trim(nuclides(i_nuclide) % & + & scheme) nuclides(i_nuclide) % E_min = nuclides_0K(n) % E_min nuclides(i_nuclide) % E_max = nuclides_0K(n) % E_max - if (.not. already_read % contains(nuclides(i_nuclide) % name_0K)) then - i_listing = xs_listing_dict % get_key(nuclides(i_nuclide) % name_0K) + if (.not. already_read % contains(nuclides(i_nuclide) % & + & name_0K)) then + i_listing = xs_listing_dict % get_key(nuclides(i_nuclide) % & + & name_0K) call read_ace_table(i_nuclide, i_listing) end if exit @@ -226,7 +231,6 @@ contains type(Nuclide), pointer :: nuc => null() type(SAlphaBeta), pointer :: sab => null() type(XsListing), pointer :: listing => null() - type(SetChar) :: already_read ! determine path, record length, and location of table listing => xs_listings(i_listing) @@ -321,6 +325,8 @@ contains select case(listing % type) case (ACE_NEUTRON) + + ! only read in a resonant scatterers info once nuc => nuclides(i_table) if (trim(adjustl(name)) /= nuc % name_0K) then nuc % name = name @@ -331,6 +337,8 @@ contains ! read all blocks call read_esz(nuc) + + ! don't read unnecessary 0K data for resonant scatterers if (.not. allocated(nuc % energy_0K)) then call read_nu_data(nuc) call read_reactions(nuc) @@ -349,7 +357,8 @@ contains ! for fissionable nuclides, precalculate microscopic nu-fission cross ! sections so that we don't need to call the nu_total function during - ! cross section lookups + ! cross section lookups (except if we're dealing w/ 0K data for resonant + ! scatterers) if (nuc % fissionable .and. .not. allocated(nuc % energy_0K)) then call generate_nu_fission(nuc) @@ -386,17 +395,13 @@ contains NE = NXS(3) ! allocate storage for energy grid and cross section arrays + + ! read in 0K data if we've already read in non-0K data if (allocated(nuc % energy)) then nuc % n_grid_0K = NE allocate(nuc % energy_0K(NE)) allocate(nuc % elastic_0K(NE)) - nuc % elastic_0K = ZERO - - ! Read data from XSS -- only the energy grid, elastic scattering and heating - ! cross section values are actually read from here. The total and absorption - ! cross sections are reconstructed from the partial reaction data. - XSS_index = 1 nuc % energy_0K = get_real(NE) @@ -406,7 +411,7 @@ contains ! Continue reading elastic scattering and heating nuc % elastic_0K = get_real(NE) - else + else ! read in non-0K data nuc % n_grid = NE allocate(nuc % energy(NE)) allocate(nuc % total(NE)) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index de9d115b3f..14cc984928 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -156,18 +156,18 @@ module ace_header end type Nuclide !=============================================================================== -! NUCLIDE_0K contains all 0K cross section data and other parameters needed to -! treat resonance scattering +! NUCLIDE_0K temporarily contains all 0K cross section data and other parameters +! needed to treat resonance scattering before transferring them to NUCLIDE !=============================================================================== type Nuclide0K - character(10) :: nuclide ! name of nuclide, e.g. U-238 - character(16) :: scheme ! target velocity sampling scheme - character(10) :: name ! name of nuclide, e.g. 92235.03c - character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c - real(8) :: E_min ! lower cutoff energy for res scattering - real(8) :: E_max ! upper cutoff energy for res scattering + character(10) :: nuclide ! name of nuclide, e.g. U-238 + character(16) :: scheme = 'dbrc' ! target velocity sampling scheme + character(10) :: name ! name of nuclide, e.g. 92235.03c + character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c + real(8) :: E_min = 0.1e-6 ! lower cutoff energy for res scattering + real(8) :: E_max = 1000.0e-6 ! upper cutoff energy for res scattering end type Nuclide0K diff --git a/src/cross_section.F90 b/src/cross_section.F90 index a8be4f5c87..9b5073235a 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -487,9 +487,9 @@ contains type(Nuclide), pointer :: nuc ! target nuclide at temperature integer :: i_grid ! index on nuclide energy grid - real(8) :: f ! interp factor on nuclide energy grid - real(8), intent(inout) :: E ! trial energy - real(8) :: xs_out + real(8) :: f ! interp factor on nuclide energy grid + real(8), intent(inout) :: E ! trial energy + real(8) :: xs_out ! 0K xs at trial energy ! Determine index on nuclide energy grid select case (grid_method) diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 097b74ff5d..642b86b100 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -28,6 +28,8 @@ contains do i = 1, n_nuclides_total nuc => nuclides(i) call add_grid_points(list, nuc % energy) + + ! add 0K points to the grid if (nuc % resonant) call add_grid_points(list, nuc % energy_0K) end do @@ -146,6 +148,7 @@ contains nuc % grid_index(j) = index_e - 1 end do + ! set pointers for 0K energy grid to the unionized grid if (nuc % resonant) then allocate(nuc % grid_index_0K(n_grid)) diff --git a/src/global.F90 b/src/global.F90 index 9f646ba04e..4da06301b4 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -371,9 +371,9 @@ module global ! ============================================================================ ! RESONANCE SCATTERING VARIABLES - logical :: treat_res_scat = .false. - integer :: n_res_scatterers_total = 0 - type(Nuclide0K), allocatable, target :: nuclides_0K(:) ! 0K nuclides + logical :: treat_res_scat = .false. ! is resonance scattering treated? + integer :: n_res_scatterers_total = 0 ! total number of resonant scatterers + type(Nuclide0K), allocatable, target :: nuclides_0K(:) ! 0K nuclides info !$omp threadprivate(micro_xs, material_xs, fission_bank, n_bank, message, & !$omp& trace, thread_id, current_work, matching_bins) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 95c6ab5f8f..6fcbb1c7b6 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -61,17 +61,19 @@ contains character(MAX_FILE_LEN) :: env_variable character(MAX_WORD_LEN) :: type character(MAX_LINE_LEN) :: filename - type(Node), pointer :: doc => null() - type(Node), pointer :: node_mode => null() - type(Node), pointer :: node_source => null() - type(Node), pointer :: node_dist => null() - type(Node), pointer :: node_cutoff => null() - type(Node), pointer :: node_entropy => null() - type(Node), pointer :: node_ufs => null() - type(Node), pointer :: node_sp => null() - type(Node), pointer :: node_output => null() - type(Node), pointer :: node_verb => null() - type(Node), pointer :: node_res_scat => null() + type(Node), pointer :: doc => null() + type(Node), pointer :: node_mode => null() + type(Node), pointer :: node_source => null() + type(Node), pointer :: node_dist => null() + type(Node), pointer :: node_cutoff => null() + type(Node), pointer :: node_entropy => null() + type(Node), pointer :: node_ufs => null() + type(Node), pointer :: node_sp => null() + type(Node), pointer :: node_output => null() + type(Node), pointer :: node_verb => null() + type(Node), pointer :: node_res_scat => null() + type(Node), pointer :: node_scatterer => null() + type(NodeList), pointer :: node_scat_list => null() ! Display output message message = "Reading settings XML file..." @@ -712,26 +714,72 @@ contains ! Resonance scattering parameters if (check_for_node(doc, "resonance_scattering")) then - ! Get pointer to output node call get_node_ptr(doc, "resonance_scattering", node_res_scat) - ! Check if any resonant scatterers specified - if (get_arraysize_string(node_res_scat, "scatterer") >= 1) then + call get_node_list(node_res_scat, "scatterer", node_scat_list) + + ! check that a nuclide is specified + if (get_list_size(node_scat_list) >= 1) then treat_res_scat = .true. - n_res_scatterers_total = get_arraysize_string(node_res_scat, "scatterer") + n_res_scatterers_total = get_list_size(node_scat_list) + + ! store 0K info for resonant scatterers allocate(nuclides_0K(n_res_scatterers_total)) - call get_node_array(node_res_scat, "scatterer", nuclides_0K % nuclide) - call get_node_array(node_res_scat, "method", nuclides_0K % scheme) - call get_node_array(node_res_scat, "xs_label", nuclides_0K % name) - call get_node_array(node_res_scat, "xs_label_0K", nuclides_0K % name_0K) - call get_node_array(node_res_scat, "E_min", nuclides_0K % E_min) - call get_node_array(node_res_scat, "E_max", nuclides_0K % E_max) + do i = 1, n_res_scatterers_total + call get_list_item(node_scat_list, i, node_scatterer) + + ! check to make sure a nuclide is specified + if (.not. check_for_node(node_scatterer, "nuclide")) then + message = "No nuclide specified for scatterer " // trim(to_str(i)) & + // " in settings.xml file!" + call fatal_error() + end if + call get_node_value(node_scatterer, "nuclide", & + nuclides_0K(i) % nuclide) + + if (check_for_node(node_scatterer, "method")) then + call get_node_value(node_scatterer, "method", & + nuclides_0K(i) % scheme) + end if + + ! check to make sure xs name for which method is applied is given + if (.not. check_for_node(node_scatterer, "xs_label")) then + message = "Must specify the temperature dependent name of " // '' & + //"scatterer " // trim(to_str(i)) // " given in cross_sections.xml" + call fatal_error() + end if + call get_node_value(node_scatterer, "xs_label", & + nuclides_0K(i) % name) + + ! check to make sure 0K xs name for which method is applied is given + if (.not. check_for_node(node_scatterer, "xs_label_0K")) then + message = "Must specify the 0K name of " // '' & + //"scatterer "// trim(to_str(i)) // " given in cross_sections.xml" + call fatal_error() + end if + call get_node_value(node_scatterer, "xs_label_0K", & + nuclides_0K(i) % name_0K) + + if (check_for_node(node_scatterer, "E_min")) then + call get_node_value(node_scatterer, "E_min", & + nuclides_0K(i) % E_min) + end if + + if (check_for_node(node_scatterer, "E_max")) then + call get_node_value(node_scatterer, "E_max", & + nuclides_0K(i) % E_max) + end if + + nuclides_0K(i) % nuclide = trim(nuclides_0K(i) % nuclide) + nuclides_0K(i) % scheme = trim(nuclides_0K(i) % scheme) + call lower_case(nuclides_0K(i) % scheme) + nuclides_0K(i) % name = trim(nuclides_0K(i) % name) + nuclides_0K(i) % name_0K = trim(nuclides_0K(i) % name_0K) + end do + else + message = "No resonant scatterers are specified within the " // "" & + // "resonance_scattering element in settings.xml" + call fatal_error() end if - do i = 1, n_res_scatterers_total - nuclides_0K(i) % nuclide = trim(nuclides_0K(i) % nuclide) - nuclides_0K(i) % scheme = trim(nuclides_0K(i) % scheme) - nuclides_0K(i) % name = trim(nuclides_0K(i) % name) - nuclides_0K(i) % name_0K = trim(nuclides_0K(i) % name_0K) - end do end if ! Close settings XML file @@ -1245,7 +1293,6 @@ contains integer :: i ! loop index for materials integer :: j ! loop index for nuclides - integer :: k ! loop index for resonant scatterers integer :: n ! number of nuclides integer :: n_sab ! number of sab tables for a material integer :: index_list ! index in xs_listings array @@ -3002,6 +3049,15 @@ contains end if end do + ! Check that 0K nuclides are listed in the cross_sections.xml file + do i = 1, n_res_scatterers_total + if (.not. xs_listing_dict % has_key(trim(nuclides_0K(i) % name_0K))) then + message = "Could not find nuclide " // trim(nuclides_0K(i) % name_0K) // & + " in cross_sections.xml file!" + call fatal_error() + end if + end do + ! Close cross sections XML file call close_xmldoc(doc) diff --git a/src/physics.F90 b/src/physics.F90 index 722678cd9b..dec8db1adf 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -638,7 +638,7 @@ contains subroutine sample_target_velocity(nuc, v_target, E, uvw, v_neut, wgt, xs_eff) - type(Nuclide), pointer :: nuc ! target nuclide at temperature + type(Nuclide), pointer :: nuc ! target nuclide at temperature T real(8), intent(out) :: v_target(3) ! target velocity real(8), intent(in) :: v_neut(3) ! neutron velocity @@ -671,7 +671,7 @@ contains kT = nuc % kT awr = nuc % awr - ! Check if nuclide is a resonant scatterer + ! check if nuclide is a resonant scatterer if (nuc % resonant) then ! sampling scheme to use @@ -689,7 +689,7 @@ contains sampling_scheme = trim(sampling_scheme) end if - ! Otherwise, use free gas model + ! otherwise, use free gas model else if (E >= FREE_GAS_THRESHOLD * kT .and. awr > ONE) then v_target = ZERO @@ -700,20 +700,20 @@ contains end if end if - ! Use appropriate target velocity sampling method + ! use appropriate target velocity sampling method select case (sampling_scheme) case ('cxs') ! sample target velocity with the constant cross section (cxs) approx. call sample_cxs_target_velocity(nuc, v_target, E, uvw) - + case ('wcm') ! sample target velocity with the constant cross section (cxs) approx. call sample_cxs_target_velocity(nuc, v_target, E, uvw) - ! Adjust weight as prescribed by the weight correction method (wcm) + ! adjust weight as prescribed by the weight correction method (wcm) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) xs_0K = calculate_0K_elastic_xs(E_rel, nuc) wcf = xs_0K / xs_eff @@ -798,46 +798,46 @@ contains beta_vn = sqrt(awr * E / kT) alpha = ONE/(ONE + sqrt(pi)*beta_vn/TWO) - + do ! Sample two random numbers r1 = prn() r2 = prn() - + if (prn() < alpha) then ! With probability alpha, we sample the distribution p(y) = ! y*e^(-y). This can be done with sampling scheme C45 frmo the Monte ! Carlo sampler - + beta_vt_sq = -log(r1*r2) - + else ! With probability 1-alpha, we sample the distribution p(y) = y^2 * ! e^(-y^2). This can be done with sampling scheme C61 from the Monte ! Carlo sampler - + c = cos(PI/TWO * prn()) beta_vt_sq = -log(r1) - log(r2)*c*c end if - + ! Determine beta * vt beta_vt = sqrt(beta_vt_sq) - + ! Sample cosine of angle between neutron and target velocity mu = TWO*prn() - ONE - + ! Determine rejection probability accept_prob = sqrt(beta_vn*beta_vn + beta_vt_sq - 2*beta_vn*beta_vt*mu) & /(beta_vn + beta_vt) - + ! Perform rejection sampling on vt and mu if (prn() < accept_prob) exit end do - - ! determine speed of target nucleus + + ! Determine speed of target nucleus vt = sqrt(beta_vt_sq*kT/awr) - - ! determine velocity vector of target nucleus based on neutron's velocity + + ! Determine velocity vector of target nucleus based on neutron's velocity ! and the sampled angle between them v_target = vt * rotate_angle(uvw, mu) diff --git a/src/relaxng/settings.rnc b/src/relaxng/settings.rnc index 609815f411..eb78483a3f 100644 --- a/src/relaxng/settings.rnc +++ b/src/relaxng/settings.rnc @@ -119,17 +119,19 @@ element settings { }? & element resonance_scattering { - (element method { list { xsd:string { maxLength = "16" }+ } | - attribute method { list { xsd:string { maxLength = "16" }+ }) & - (element scatterer { list { xsd:string { maxLength = "12" }+ } } | - attribute scatterer { list { xsd:string { maxLength = "12" }+ } }) & - (element xs_label { list { xsd:string { maxLength = "12" }+ } } | - attribute xs_label { list { xsd:string { maxLength = "12" }+ } }) & - (element xs_label_0K { list { xsd:string { maxLength = "12" }+ } } | - attribute xs_label_0K { list { xsd:string { maxLength = "12" }+ } }) & - (element E_min { list { xsd:double+ } } | - attribute E_min { list { xsd:double+ } }) & - (element E_max { list { xsd:double+ } } | - attribute E_max { list { xsd:double+ } }) + element scatterer { + (element nuclide { xsd:string { maxLength = "12" } } | + attribute nuclide { xsd:string { maxLength = "12" } }) & + (element method { xsd:string { maxLength = "16" } } | + attribute method { xsd:string { maxLength = "16" } }) & + (element xs_label { xsd:string { maxLength = "12" } } | + attribute xs_label { xsd:string { maxLength = "12" } }) & + (element xs_label_0K { xsd:string { maxLength = "12" } } | + attribute xs_label_0K { xsd:string { maxLength = "12" } }) & + (element E_min { xsd:double } | + attribute E_min { xsd:double }) & + (element E_max { xsd:double } | + attribute E_max { xsd:double })? + }* }? } From 649f3b109a1bb0c0fb906ef987c1a99e7c0258ae Mon Sep 17 00:00:00 2001 From: walshjon Date: Sun, 8 Dec 2013 20:51:30 -0800 Subject: [PATCH 035/187] changed 0K grid pointers to integers --- src/ace_header.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 14cc984928..12808dd9f3 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -113,7 +113,7 @@ module ace_header character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c character(16) :: scheme ! target velocity sampling scheme integer :: n_grid_0K ! number of 0K energy grid points - real(8), allocatable :: grid_index_0K(:) ! pointers to union grid + integer, allocatable :: grid_index_0K(:) ! pointers to union grid real(8), allocatable :: energy_0K(:) ! energy grid for 0K xs real(8), allocatable :: elastic_0K(:) ! Microscopic elastic cross section real(8), allocatable :: xs_cdf(:) ! CDF of v_rel times cross section From 771670f87303cb392b6f40fdced2e866005ede09 Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 23 Dec 2013 17:01:24 -0800 Subject: [PATCH 036/187] handle negative 0K elastic xs values by setting to ZERO --- src/ace.F90 | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/ace.F90 b/src/ace.F90 index e902b516db..6aec1702dc 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -398,6 +398,7 @@ contains type(Nuclide), pointer :: nuc integer :: NE ! number of energy points for total and elastic cross sections + integer :: i ! index in 0K elastic xs array for this nuclide ! determine number of energy points NE = NXS(3) @@ -419,6 +420,12 @@ contains ! Continue reading elastic scattering and heating nuc % elastic_0K = get_real(NE) + ! Negative cross sections result in a CDF that is not monotonically + ! increasing. Set all negative xs values to ZERO. + do i = 1, nuc % n_grid_0K + if (nuc % elastic_0K(i) < ZERO) nuc % elastic_0K(i) = ZERO + end do + else ! read in non-0K data nuc % n_grid = NE allocate(nuc % energy(NE)) From f7f61bb575a9b9a962f625e3e340f03f7295ba3b Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 19 Feb 2014 18:26:29 -0500 Subject: [PATCH 037/187] Make many scripts in src/utils Python 3 compatible. --- src/utils/analyze_source.py | 6 ++++-- src/utils/build_dependencies.py | 5 +++-- src/utils/convert_xsdata.py | 2 +- src/utils/convert_xsdir.py | 2 +- src/utils/eigenfunction_rms.py | 12 ++++++----- src/utils/memory_usage.py | 11 ++++++++--- src/utils/plot_mesh_tally.py | 33 ++++++++++++++++++------------- src/utils/split_nuclide.py | 3 ++- src/utils/statepoint_histogram.py | 3 ++- src/utils/tally_conv.py | 3 ++- 10 files changed, 49 insertions(+), 31 deletions(-) diff --git a/src/utils/analyze_source.py b/src/utils/analyze_source.py index 0209bfd51a..0b044c67d0 100755 --- a/src/utils/analyze_source.py +++ b/src/utils/analyze_source.py @@ -1,4 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python + +from __future__ import print_function import sys import os @@ -36,7 +38,7 @@ for sourceFile in source: commentChar = '!' elif ending == 'F90': commentChar = '!' - + for line in open(sourceFile, 'r'): line = line.strip() if line.startswith(commentChar): diff --git a/src/utils/build_dependencies.py b/src/utils/build_dependencies.py index 2a42b07456..7aab269da4 100755 --- a/src/utils/build_dependencies.py +++ b/src/utils/build_dependencies.py @@ -1,4 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python + +from __future__ import print_function import glob import re @@ -18,7 +20,6 @@ for src in glob.iglob('*.F90'): if deps: dependencies[module] = sorted(list(deps)) - for module in sorted(dependencies.keys()): for dep in dependencies[module]: print("{0}.o: {1}.o".format(module, dep)) diff --git a/src/utils/convert_xsdata.py b/src/utils/convert_xsdata.py index 215b9256a7..708a196f97 100755 --- a/src/utils/convert_xsdata.py +++ b/src/utils/convert_xsdata.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python import os import sys diff --git a/src/utils/convert_xsdir.py b/src/utils/convert_xsdir.py index edee1a66c7..7e1606fc4c 100755 --- a/src/utils/convert_xsdir.py +++ b/src/utils/convert_xsdir.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python import os import sys diff --git a/src/utils/eigenfunction_rms.py b/src/utils/eigenfunction_rms.py index 568d173f40..44394ae483 100644 --- a/src/utils/eigenfunction_rms.py +++ b/src/utils/eigenfunction_rms.py @@ -1,12 +1,14 @@ -#!/usr/bin/python2 -# Filename: eigenfunction_rms.py +#!/usr/bin/env python + +from __future__ import print_function -# import packages -import statepoint -import numpy as np import os import sys +import numpy as np + +import statepoint + def main(tally_id, score_id, batch_start, batch_end, name): # read in statepoint header data diff --git a/src/utils/memory_usage.py b/src/utils/memory_usage.py index bf3cc1efd7..32655c62c7 100755 --- a/src/utils/memory_usage.py +++ b/src/utils/memory_usage.py @@ -1,7 +1,12 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python -# This script reads a cross_sections.out file, adds up the memory usage for -# each nuclide and S(a,b) table, and displays the total memory usage +""" +This script reads a cross_sections.out file, adds up the memory usage for each +nuclide and S(a,b) table, and displays the total memory usage. + +""" + +from __future__ import print_function import sys import os diff --git a/src/utils/plot_mesh_tally.py b/src/utils/plot_mesh_tally.py index fb5b8cb839..ad51a8bb35 100755 --- a/src/utils/plot_mesh_tally.py +++ b/src/utils/plot_mesh_tally.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python """Python script to plot tally data generated by OpenMC.""" @@ -15,12 +15,16 @@ from statepoint import * if sys.version_info[0] < 3: import Tkinter as tk + import tkFileDialog as filedialog + import tkFont as font + import tkMessageBox as messagebox + import ttk as ttk else: import tkinter as tk -import tkFileDialog -import tkFont -import tkMessageBox -import ttk + import tkinter.filedialog as filedialog + import tkinter.font as font + import tkinter.messagebox as messagebox + import tkinter.ttk as ttk class MeshPlotter(tk.Frame): @@ -111,8 +115,9 @@ class MeshPlotter(tk.Frame): self.scoreBox.bind('<>', self.redraw) # Filter label - font = tkFont.Font(weight='bold') - labelFilters = tk.Label(self.selectFrame, text='Filters:', font=font) + boldfont = font.Font(weight='bold') + labelFilters = tk.Label(self.selectFrame, text='Filters:', + font=boldfont) labelFilters.grid(row=5, column=0, sticky=tk.W) def update(self, event=None): @@ -201,7 +206,7 @@ class MeshPlotter(tk.Frame): # Create spec_list spec_list = [] - for f in selectedTally.filters.values(): + for f in list(selectedTally.filters.values()): if f.type == 'mesh': continue index = self.filterBoxes[f.type].current() @@ -296,8 +301,8 @@ class MeshPlotter(tk.Frame): self.meshTallies.append(itally) if not self.meshTallies: - tkMessageBox.showerror("Invalid StatePoint File", - "File does not contain mesh tallies!") + messagebox.showerror("Invalid StatePoint File", + "File does not contain mesh tallies!") sys.exit(1) @@ -308,16 +313,16 @@ if __name__ == '__main__': # If no filename given as command-line argument, open file dialog if len(sys.argv) < 2: - filename = tkFileDialog.askopenfilename(title='Select statepoint file', - initialdir='.') + filename = filedialog.askopenfilename(title='Select statepoint file', + initialdir='.') else: filename = sys.argv[1] if filename: # Check to make sure file exists if not os.path.isfile(filename): - tkMessageBox.showerror("File not found", - "Could not find regular file: " + filename) + messagebox.showerror("File not found", + "Could not find regular file: " + filename) sys.exit(1) app = MeshPlotter(root, filename) diff --git a/src/utils/split_nuclide.py b/src/utils/split_nuclide.py index 2a816ac69d..d91cf9b777 100755 --- a/src/utils/split_nuclide.py +++ b/src/utils/split_nuclide.py @@ -1,5 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python +from __future__ import print_function import sys if len(sys.argv) != 3: diff --git a/src/utils/statepoint_histogram.py b/src/utils/statepoint_histogram.py index 6276fde056..e16d368dfb 100755 --- a/src/utils/statepoint_histogram.py +++ b/src/utils/statepoint_histogram.py @@ -1,5 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python +from __future__ import print_function from sys import argv from math import sqrt diff --git a/src/utils/tally_conv.py b/src/utils/tally_conv.py index 99574bbb91..8f60dd2067 100755 --- a/src/utils/tally_conv.py +++ b/src/utils/tally_conv.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python # This program takes OpenMC statepoint binary files and creates a variety of # outputs from them which should provide the user with an idea of the @@ -15,6 +15,7 @@ # fileType, printxs, showImg, and savetoCSV. See the options block for more # information. +from __future__ import print_function from math import sqrt, pow from glob import glob From cf739db807adc1b57e05b5e0cd649f730ead817a Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 10 Mar 2014 16:08:53 -0700 Subject: [PATCH 038/187] added accelerated sampling scheme --- src/ace.F90 | 17 ++++++-- src/physics.F90 | 105 +++++++++++++++++++++++++++++++++++++++++------- 2 files changed, 104 insertions(+), 18 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 6aec1702dc..41596e2fe1 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -400,6 +400,8 @@ contains integer :: NE ! number of energy points for total and elastic cross sections integer :: i ! index in 0K elastic xs array for this nuclide + real(8) :: xs_cdf_sum = ZERO ! xs cdf value + ! determine number of energy points NE = NXS(3) @@ -410,7 +412,9 @@ contains nuc % n_grid_0K = NE allocate(nuc % energy_0K(NE)) allocate(nuc % elastic_0K(NE)) + allocate(nuc % xs_cdf(NE)) nuc % elastic_0K = ZERO + nuc % xs_cdf = ZERO XSS_index = 1 nuc % energy_0K = get_real(NE) @@ -420,10 +424,17 @@ contains ! Continue reading elastic scattering and heating nuc % elastic_0K = get_real(NE) - ! Negative cross sections result in a CDF that is not monotonically - ! increasing. Set all negative xs values to ZERO. - do i = 1, nuc % n_grid_0K + do i = 1, nuc % n_grid_0K - 1 + + ! Negative cross sections result in a CDF that is not monotonically + ! increasing. Set all negative xs values to ZERO. if (nuc % elastic_0K(i) < ZERO) nuc % elastic_0K(i) = ZERO + + ! build xs cdf + xs_cdf_sum = xs_cdf_sum + (sqrt(nuc % energy_0K(i)) * nuc % elastic_0K(i) & + & + sqrt(nuc % energy_0K(i+1)) * nuc % elastic_0K(i+1)) / TWO & + & * (nuc % energy_0K(i+1) - nuc % energy_0K(i)) + nuc % xs_cdf(i) = xs_cdf_sum end do else ! read in non-0K data diff --git a/src/physics.F90 b/src/physics.F90 index adbfa28719..e16c9d3068 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -745,25 +745,36 @@ contains real(8), intent(in) :: uvw(3) ! direction cosines real(8), intent(inout) :: wgt ! particle weight - real(8) :: awr ! target/neutron mass ratio - real(8) :: kT ! equilibrium temperature of target in MeV - real(8) :: E_rel ! trial relative energy - real(8) :: xs_0K ! 0K xs at E_rel - real(8) :: xs_eff ! effective elastic xs at temperature T - real(8) :: wcf ! weight correction factor - real(8) :: E_red ! reduced energy (same as used by Cullen in SIGMA1) - real(8) :: E_low ! lowest practical relative energy - real(8) :: E_up ! highest practical relative energy - real(8) :: xs_max ! max 0K xs over practical relative energies - real(8) :: xs_low ! 0K xs at lowest practical relative energy - real(8) :: xs_up ! 0K xs at highest practical relative energy - real(8) :: m ! slope for interpolation - real(8) :: R_dbrc ! DBRC rejection criterion + real(8) :: awr ! target/neutron mass ratio + real(8) :: kT ! equilibrium temperature of target in MeV + real(8) :: E_rel ! trial relative energy + real(8) :: xs_0K ! 0K xs at E_rel + real(8) :: xs_eff ! effective elastic xs at temperature T + real(8) :: wcf ! weight correction factor + real(8) :: E_red ! reduced energy (same as used by Cullen in SIGMA1) + real(8) :: E_low ! lowest practical relative energy + real(8) :: E_up ! highest practical relative energy + real(8) :: E_mode ! most probable Maxwellian energy + real(8) :: E_t_max ! highest practical target energy + real(8) :: E_t ! trial target energy + real(8) :: xs_max ! max 0K xs over practical relative energies + real(8) :: xs_low ! 0K xs at lowest practical relative energy + real(8) :: xs_up ! 0K xs at highest practical relative energy + real(8) :: m ! slope for interpolation + real(8) :: R_dbrc ! DBRC rejection criterion + real(8) :: R_speed ! target speed rejection criterion + real(8) :: cdf_low ! xs cdf at lowest practical relative energy + real(8) :: cdf_up ! xs cdf at highest practical relative energy + real(8) :: cdf_rel ! trial xs cdf value + real(8) :: p_mode ! probability at most probable energy + real(8) :: p_t ! probability at trial target energy + real(8) :: mu ! cosine between neutron and target velocities integer :: i_E_low ! 0K index to lowest practical relative energy integer :: i_E_up ! 0K index to highest practical relative energy + integer :: i_E_rel ! index to trial relative energy - logical :: reject ! resample if true + logical :: reject ! resample if true character(80) :: sampling_scheme ! method of target velocity sampling @@ -859,6 +870,70 @@ contains if (.not. reject) exit end do + case ('arts') + E_red = sqrt((awr * E) / kT) + E_low = (((E_red - 4.0_8)**2) * kT) / awr + E_up = (((E_red + 4.0_8)**2) * kT) / awr + + ! find lower and upper energy bound indices + call find_energy_index(E_low) + i_E_low = nuc % grid_index_0K(union_grid_index) + call find_energy_index(E_up) + i_E_up = nuc % grid_index_0K(union_grid_index) + + ! interpolate xs CDF since we're not exactly at the energy indices + m = (nuc % xs_cdf(i_E_low) - nuc % xs_cdf(i_E_low - 1)) & + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + cdf_low = nuc % xs_cdf(i_E_low - 1) + m * (E_low - nuc % energy_0K(i_E_low)) + m = (nuc % xs_cdf(i_E_up) - nuc % xs_cdf(i_E_up - 1)) & + & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) + cdf_up = nuc % xs_cdf(i_E_up - 1) + m * (E_up - nuc % energy_0K(i_E_up)) + + ! values used to sample the Maxwellian + E_mode = kT + p_mode = TWO * sqrt(E_mode / pi) * sqrt((ONE / kT)**3) & + & * exp(-E_mode / kT) + E_t_max = 16.0_8 * E_mode + + reject = .true. + + do + + ! perform Maxwellian rejection sampling + E_t = E_t_max * prn()**2 + p_t = TWO * sqrt(E_t / pi) * sqrt((ONE / kT)**3) & + & * exp(-E_t / kT) + R_speed = p_t / p_mode + + if (prn() < R_speed) then + + ! sample a relative energy using the xs cdf + cdf_rel = cdf_low + prn() * (cdf_up - cdf_low) + i_E_rel = binary_search(nuc % xs_cdf(i_E_low-1:i_E_up), & + & i_E_up - i_E_low + 2, cdf_rel) + E_rel = nuc % energy_0K(i_E_low + i_E_rel - 1) + m = (nuc % xs_cdf(i_E_low + i_E_rel - 1) & + & - nuc % xs_cdf(i_E_low + i_E_rel - 2)) & + & / (nuc % energy_0K(i_E_low + i_E_rel) & + & - nuc % energy_0K(i_E_low + i_E_rel - 1)) + E_rel = E_rel + (cdf_rel - nuc % xs_cdf(i_E_low + i_E_rel - 2)) / m + + ! perform rejection sampling on cosine between + ! neutron and target velocities + mu = (E_t + awr * (E - E_rel)) / (TWO * sqrt(awr * E * E_t)) + + if (abs(mu) < ONE) then + + ! set and accept target velocity + E_t = E_t / awr + v_target = sqrt(E_t) * rotate_angle(uvw, mu) + reject = .false. + end if + end if + + if (.not. reject) exit + end do + case default message = "Not a recognized resonance scattering treatment!" call fatal_error() From 9d28e6817019964279ffb81aacd40c5bb32df053 Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 19 Mar 2014 17:23:51 -0400 Subject: [PATCH 039/187] Update publications.rst --- docs/source/publications.rst | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/docs/source/publications.rst b/docs/source/publications.rst index df7ca639bc..70ad1a6b64 100644 --- a/docs/source/publications.rst +++ b/docs/source/publications.rst @@ -4,6 +4,10 @@ Publications ============ +- Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Accelerated sampling + of the free gas resonance elastic scattering kernel," *Ann. Nucl. Energy*, + **69**, 116--124 (2014). ``_ + - Benoit Forget, Sheng Xu, and Kord Smith, "Direct Doppler broadening in Monte Carlo simulations using the multipole representation," *Ann. Nucl. Energy*, **64**, 78--85 (2014). ``_ From 67a1e50b964039e09ef9f918e6f969a8fe9117d9 Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 19 Mar 2014 18:30:49 -0400 Subject: [PATCH 040/187] updated input.rst w/ resonance scattering info --- docs/source/usersguide/input.rst | 56 ++++++++++++++++++++++++++++++++ 1 file changed, 56 insertions(+) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 83eb2a3d8a..5cc8f46b5e 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -237,6 +237,62 @@ or sub-elements and can be set to either "false" or "true". *Default*: true +```` Element +---------------------- + +The ``resonance_scattering`` element can contain one or more of the following +attributes or sub-elements: + + :scatterer: + An element with attributes/sub-elements called ``nuclide``, ``method``, + ``xs_label``, ``xs_label_0K``, ``E_min``, and ``E_max``. The ``nuclide`` + attribute is the name, as given by the ``name`` attribute within the + ``nuclide`` sub-element of the ``material`` element in ``materials.xml``, + of the nuclide to which a resonance scattering treatment is to be applied. + The ``method`` attribute gives the type of resonance scattering treatment + that is to be applied to the ``nuclide``. Acceptable inputs for the + ``method`` attribute are ``ARTS``, ``CXS``, ``WCM``, and ``DBRC``. + Descriptions of each of these methods are documented here_. The + ``xs_label`` attribute gives the label for the cross section data of the + ``nuclide`` at a given temperature. The ``xs_label_0K`` gives the label + for the 0 K cross section data for the ``nuclide``. The ``E_min`` attribute + gives the minimum energy above which the ``method`` is applied. The + ``E_max`` attribute gives the maximum energy below which the ``method`` is + applied. One example would be as follows: + + .. _here: http://dx.doi.org/10.1016/j.anucene.2014.01.017 + + .. code-block:: xml + + + + U-238 + ARTS + 92238.72c + 92238.00c + 5.0e-6 + 40.0e-6 + + + Pu-239 + dbrc + 94239.72c + 94239.00c + 0.01e-6 + 210.0e-6 + + + + .. note:: The free gas, constant cross section (``cxs``) scattering model, + which has historically been used by Monte Carlo codes to sample + target velocities, is the default ``method``. Below ``E_min``, + the ``cxs`` default method is applied and above ``E_max``, the + target-at-rest (asymptotic) kernel is used. An arbitrary number of + ``scatterer`` elements may be specified, each corresponding to a + single nuclide at a single material temperature. + + *Default*: None + ```` Element ---------------------- From 436b4fd95afb5be4deeb443bba9b98a38f342c79 Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 19 Mar 2014 19:04:21 -0400 Subject: [PATCH 041/187] added reference to resonance scattering paper --- docs/source/methods/physics.rst | 15 ++++++++++++--- 1 file changed, 12 insertions(+), 3 deletions(-) diff --git a/docs/source/methods/physics.rst b/docs/source/methods/physics.rst index 54dc913455..55051d5979 100644 --- a/docs/source/methods/physics.rst +++ b/docs/source/methods/physics.rst @@ -997,9 +997,14 @@ Carlo code, it must be done in such a way that preserves the thermally-averaged reaction rate as per equation :eq:`doppler-broaden`. The method by which most Monte Carlo codes sample the target velocity for use in -elastic scattering kinematics is outlined in detail by [Gelbard]_. The -derivation here largely follows that of Gelbard. Let us first write the reaction -rate as a function of the velocity of the target nucleus: +elastic scattering kinematics is outlined in detail by [Gelbard]_. This is the +default method for sampling target velocities in OpenMC. Alternate methods for +treating thermal target motion which reproduce the exact elastic scattering kernel +have been implemented in OpenMC and are described by [Walsh]_. + +Here, the derivation of the default method largely follows that of Gelbard. Let +us first write the reaction rate as a function of the velocity of the target +nucleus: .. math:: :label: reaction-rate @@ -1559,6 +1564,10 @@ References .. [Gelbard] Ely M. Gelbard, "Epithermal Scattering in VIM," FRA-TM-123, Argonne National Laboratory (1979). + +.. [Walsh] Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Accelerated + sampling of the free gas resonance elastic scattering kernel," *Ann. Nucl. + Energy*, **69**, 116-124 (2014). http://dx.doi.org/10.1016/j.anucene.2014.01.017 .. [Levitt] Leo B. Levitt, "The Probability Table Method for Treating Unresolved Neutron Resonances in Monte Carlo Calculations," *Nucl. Sci. Eng.*, **49**, From 10aa60dc7843d16d06d2354b59dc83dc622fe428 Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 21 Mar 2014 12:09:30 -0700 Subject: [PATCH 042/187] Revert "added reference to resonance scattering paper" This reverts commit 436b4fd95afb5be4deeb443bba9b98a38f342c79. --- docs/source/methods/physics.rst | 15 +++------------ 1 file changed, 3 insertions(+), 12 deletions(-) diff --git a/docs/source/methods/physics.rst b/docs/source/methods/physics.rst index 55051d5979..54dc913455 100644 --- a/docs/source/methods/physics.rst +++ b/docs/source/methods/physics.rst @@ -997,14 +997,9 @@ Carlo code, it must be done in such a way that preserves the thermally-averaged reaction rate as per equation :eq:`doppler-broaden`. The method by which most Monte Carlo codes sample the target velocity for use in -elastic scattering kinematics is outlined in detail by [Gelbard]_. This is the -default method for sampling target velocities in OpenMC. Alternate methods for -treating thermal target motion which reproduce the exact elastic scattering kernel -have been implemented in OpenMC and are described by [Walsh]_. - -Here, the derivation of the default method largely follows that of Gelbard. Let -us first write the reaction rate as a function of the velocity of the target -nucleus: +elastic scattering kinematics is outlined in detail by [Gelbard]_. The +derivation here largely follows that of Gelbard. Let us first write the reaction +rate as a function of the velocity of the target nucleus: .. math:: :label: reaction-rate @@ -1564,10 +1559,6 @@ References .. [Gelbard] Ely M. Gelbard, "Epithermal Scattering in VIM," FRA-TM-123, Argonne National Laboratory (1979). - -.. [Walsh] Jonathan A. Walsh, Benoit Forget, and Kord S. Smith, "Accelerated - sampling of the free gas resonance elastic scattering kernel," *Ann. Nucl. - Energy*, **69**, 116-124 (2014). http://dx.doi.org/10.1016/j.anucene.2014.01.017 .. [Levitt] Leo B. Levitt, "The Probability Table Method for Treating Unresolved Neutron Resonances in Monte Carlo Calculations," *Nucl. Sci. Eng.*, **49**, From 23929d49b9586dad42ae3acc3de8e406a8e9d0f3 Mon Sep 17 00:00:00 2001 From: walshjon Date: Sat, 22 Mar 2014 15:56:45 -0400 Subject: [PATCH 043/187] add resonance scattering test case --- tests/test_resonance_scattering/geometry.xml | 8 ++++ tests/test_resonance_scattering/materials.xml | 9 ++++ tests/test_resonance_scattering/results.py | 25 +++++++++++ .../results_true.dat | 2 + tests/test_resonance_scattering/settings.xml | 27 ++++++++++++ .../test_resonance_scattering.py | 44 +++++++++++++++++++ 6 files changed, 115 insertions(+) create mode 100644 tests/test_resonance_scattering/geometry.xml create mode 100644 tests/test_resonance_scattering/materials.xml create mode 100644 tests/test_resonance_scattering/results.py create mode 100644 tests/test_resonance_scattering/results_true.dat create mode 100644 tests/test_resonance_scattering/settings.xml create mode 100644 tests/test_resonance_scattering/test_resonance_scattering.py diff --git a/tests/test_resonance_scattering/geometry.xml b/tests/test_resonance_scattering/geometry.xml new file mode 100644 index 0000000000..612e46132e --- /dev/null +++ b/tests/test_resonance_scattering/geometry.xml @@ -0,0 +1,8 @@ + + + + + + + + diff --git a/tests/test_resonance_scattering/materials.xml b/tests/test_resonance_scattering/materials.xml new file mode 100644 index 0000000000..f1f941f6b8 --- /dev/null +++ b/tests/test_resonance_scattering/materials.xml @@ -0,0 +1,9 @@ + + + + + + + + + diff --git a/tests/test_resonance_scattering/results.py b/tests/test_resonance_scattering/results.py new file mode 100644 index 0000000000..8ff10971cd --- /dev/null +++ b/tests/test_resonance_scattering/results.py @@ -0,0 +1,25 @@ +#!/usr/bin/env python + +import sys + +# import statepoint +sys.path.append('../../src/utils') +import statepoint + +# read in statepoint file +if len(sys.argv) > 1: + sp = statepoint.StatePoint(sys.argv[1]) +else: + sp = statepoint.StatePoint('statepoint.10.binary') +sp.read_results() + +# set up output string +outstr = '' + +# write out k-combined +outstr += 'k-combined:\n' +outstr += "{0:12.6E} {1:12.6E}\n".format(sp.k_combined[0], sp.k_combined[1]) + +# write results to file +with open('results_test.dat','w') as fh: + fh.write(outstr) diff --git a/tests/test_resonance_scattering/results_true.dat b/tests/test_resonance_scattering/results_true.dat new file mode 100644 index 0000000000..caf9941fe0 --- /dev/null +++ b/tests/test_resonance_scattering/results_true.dat @@ -0,0 +1,2 @@ +k-combined: +6.712684E-02 1.123945E-03 diff --git a/tests/test_resonance_scattering/settings.xml b/tests/test_resonance_scattering/settings.xml new file mode 100644 index 0000000000..2ac47de972 --- /dev/null +++ b/tests/test_resonance_scattering/settings.xml @@ -0,0 +1,27 @@ + + + + + + U-238 + cxs + 92238.72c + 92238.72c + 5.0e-6 + 40.0e-6 + + + + + 10 + 5 + 1000 + + + + + -4 -4 -4 4 4 4 + + + + diff --git a/tests/test_resonance_scattering/test_resonance_scattering.py b/tests/test_resonance_scattering/test_resonance_scattering.py new file mode 100644 index 0000000000..64d20b6115 --- /dev/null +++ b/tests/test_resonance_scattering/test_resonance_scattering.py @@ -0,0 +1,44 @@ +#!/usr/bin/env python + +import os +from subprocess import Popen, STDOUT, PIPE, call +import filecmp +from nose_mpi import NoseMPI +import glob + +pwd = os.path.dirname(__file__) + +def setup(): + os.putenv('PWD', pwd) + os.chdir(pwd) + +def test_run(): + openmc_path = pwd + '/../../src/openmc' + if int(NoseMPI.mpi_np) > 0: + proc = Popen([NoseMPI.mpi_exec, '-np', NoseMPI.mpi_np, openmc_path], + stderr=STDOUT, stdout=PIPE) + else: + proc = Popen([openmc_path], stderr=STDOUT, stdout=PIPE) + print(proc.communicate()[0]) + returncode = proc.returncode + assert returncode == 0 + +def test_created_statepoint(): + statepoint = glob.glob(pwd + '/statepoint.10.*') + assert len(statepoint) == 1 + assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5') + +def test_results(): + statepoint = glob.glob(pwd + '/statepoint.10.*') + call(['python', 'results.py', statepoint[0]]) + compare = filecmp.cmp('results_test.dat', 'results_true.dat') + if not compare: + os.rename('results_test.dat', 'results_error.dat') + assert compare + +def teardown(): + output = glob.glob(pwd + '/statepoint.10.*') + output.append(pwd + '/results_test.dat') + for f in output: + if os.path.exists(f): + os.remove(f) From b5ddfa0355c81730c2be5ba1fe334fdbe6cfb41d Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 16:06:15 -0400 Subject: [PATCH 044/187] removed extraneous character trimming --- src/physics.F90 | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/physics.F90 b/src/physics.F90 index bc5cf9bc38..118e1c2816 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -786,7 +786,6 @@ contains ! sampling scheme to use sampling_scheme = nuc % scheme - sampling_scheme = trim(sampling_scheme) ! upper resonance scattering energy bound (target is at rest above this E) if (E > nuc % E_max) then @@ -796,7 +795,6 @@ contains ! lower resonance scattering energy bound (should be no resonances below) else if (E < nuc % E_min) then sampling_scheme = 'cxs' - sampling_scheme = trim(sampling_scheme) end if ! otherwise, use free gas model @@ -806,7 +804,6 @@ contains return else sampling_scheme = 'cxs' - sampling_scheme = trim(sampling_scheme) end if end if From ca561f4d6c67695a419fd22069e42cb07b604d4a Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 16:14:48 -0400 Subject: [PATCH 045/187] changed calculate_0K_elastic_xs to 0K_elastic_xs --- src/cross_section.F90 | 6 +++--- src/physics.F90 | 6 +++--- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 9b5073235a..82e01c8798 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -479,11 +479,11 @@ contains end subroutine find_energy_index !=============================================================================== -! CALCULATE_0K_ELASTIC_XS determines the microscopic 0K elastic cross section +! 0K_ELASTIC_XS determines the microscopic 0K elastic cross section ! for a given nuclide at the trial relative energy used in resonance scattering !=============================================================================== - function calculate_0K_elastic_xs(E, nuc) result(xs_out) + function 0K_elastic_xs(E, nuc) result(xs_out) type(Nuclide), pointer :: nuc ! target nuclide at temperature integer :: i_grid ! index on nuclide energy grid @@ -524,6 +524,6 @@ contains ! Calculate microscopic nuclide elastic cross section xs_out = (ONE - f) * nuc % elastic_0K(i_grid) + f * nuc % elastic_0K(i_grid+1) - end function calculate_0K_elastic_xs + end function 0K_elastic_xs end module cross_section diff --git a/src/physics.F90 b/src/physics.F90 index 118e1c2816..0d27f1fc7d 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,7 +2,7 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: calculate_0K_elastic_xs, find_energy_index, & + use cross_section, only: 0K_elastic_xs, find_energy_index, & union_grid_index use endf, only: reaction_name use error, only: fatal_error, warning @@ -822,7 +822,7 @@ contains ! adjust weight as prescribed by the weight correction method (wcm) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = calculate_0K_elastic_xs(E_rel, nuc) + xs_0K = 0K_elastic_xs(E_rel, nuc) wcf = xs_0K / xs_eff wgt = wcf * wgt @@ -861,7 +861,7 @@ contains ! perform Doppler broadening rejection correction (dbrc) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = calculate_0K_elastic_xs(E_rel, nuc) + xs_0K = 0K_elastic_xs(E_rel, nuc) R_dbrc = xs_0K / xs_max if (prn() < R_dbrc) reject = .false. if (.not. reject) exit From daaf718870d22fc7349a05c60536d6977a8c6f5d Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 16:15:41 -0400 Subject: [PATCH 046/187] deallocate 0 K energy grid --- src/ace_header.F90 | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 2f2c4c3f3f..70958259f2 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -376,6 +376,9 @@ module ace_header this % nu_fission, this % absorption) if (allocated(this % energy_0K)) & + deallocate(this % energy_0K) + + if (allocated(this % elastic_0K)) & deallocate(this % elastic_0K) if (allocated(this % xs_cdf)) & From 423136518f7c79c4af065e0e00848f19f493d215 Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 16:23:01 -0400 Subject: [PATCH 047/187] changed default resonance scattering treatment to arts --- src/ace_header.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 70958259f2..bbf1c6fb98 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -163,10 +163,10 @@ module ace_header type Nuclide0K character(10) :: nuclide ! name of nuclide, e.g. U-238 - character(16) :: scheme = 'dbrc' ! target velocity sampling scheme + character(16) :: scheme = 'arts' ! target velocity sampling scheme character(10) :: name ! name of nuclide, e.g. 92235.03c character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c - real(8) :: E_min = 0.1e-6 ! lower cutoff energy for res scattering + real(8) :: E_min = 0.01e-6 ! lower cutoff energy for res scattering real(8) :: E_max = 1000.0e-6 ! upper cutoff energy for res scattering end type Nuclide0K From a38c3e393750f4e393e3fa13f5f010cb5caa7fad Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 17:37:22 -0400 Subject: [PATCH 048/187] changed 0K_elastic_xs to elastic_xs_0K --- src/cross_section.F90 | 4 ++-- src/physics.F90 | 6 +++--- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 82e01c8798..efb38fe0e1 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -483,7 +483,7 @@ contains ! for a given nuclide at the trial relative energy used in resonance scattering !=============================================================================== - function 0K_elastic_xs(E, nuc) result(xs_out) + function elastic_xs_0K(E, nuc) result(xs_out) type(Nuclide), pointer :: nuc ! target nuclide at temperature integer :: i_grid ! index on nuclide energy grid @@ -524,6 +524,6 @@ contains ! Calculate microscopic nuclide elastic cross section xs_out = (ONE - f) * nuc % elastic_0K(i_grid) + f * nuc % elastic_0K(i_grid+1) - end function 0K_elastic_xs + end function elastic_xs_0K end module cross_section diff --git a/src/physics.F90 b/src/physics.F90 index 0d27f1fc7d..4584416bd8 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,7 +2,7 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: 0K_elastic_xs, find_energy_index, & + use cross_section, only: elastic_xs_0K, find_energy_index, & union_grid_index use endf, only: reaction_name use error, only: fatal_error, warning @@ -822,7 +822,7 @@ contains ! adjust weight as prescribed by the weight correction method (wcm) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = 0K_elastic_xs(E_rel, nuc) + xs_0K = elastic_xs_0K(E_rel, nuc) wcf = xs_0K / xs_eff wgt = wcf * wgt @@ -861,7 +861,7 @@ contains ! perform Doppler broadening rejection correction (dbrc) E_rel = dot_product((v_neut - v_target), (v_neut - v_target)) - xs_0K = 0K_elastic_xs(E_rel, nuc) + xs_0K = elastic_xs_0K(E_rel, nuc) R_dbrc = xs_0K / xs_max if (prn() < R_dbrc) reject = .false. if (.not. reject) exit From 979b0b13bc70c9c562589e5492e5506847820911 Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 18:02:39 -0400 Subject: [PATCH 049/187] cleaned up reading in of 0 K data --- src/ace.F90 | 20 ++++++++++++++------ 1 file changed, 14 insertions(+), 6 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index c5afb2a219..da3631c706 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -222,6 +222,7 @@ contains real(8) :: awrs(16) ! list of atomic weight ratios (not used) real(8) :: awr ! atomic weight ratio for table logical :: file_exists ! does ACE library exist? + logical :: data_0K ! are we reading 0K data? character(7) :: readable ! is ACE library readable? character(10) :: name ! name of ACE table character(10) :: date_ ! date ACE library was processed @@ -328,7 +329,10 @@ contains ! only read in a resonant scatterers info once nuc => nuclides(i_table) - if (trim(adjustl(name)) /= nuc % name_0K) then + data_0K = .false. + if (trim(adjustl(name)) == nuc % name_0K) then + data_0K = .true. + else nuc % name = name nuc % awr = awr nuc % kT = kT @@ -336,10 +340,12 @@ contains end if ! read all blocks - call read_esz(nuc) + call read_esz(nuc, data_0K) ! don't read unnecessary 0K data for resonant scatterers - if (.not. allocated(nuc % energy_0K)) then + if (data_0K) then + continue + else call read_nu_data(nuc) call read_reactions(nuc) call read_angular_dist(nuc) @@ -360,7 +366,7 @@ contains ! cross section lookups (except if we're dealing w/ 0K data for resonant ! scatterers) - if (nuc % fissionable .and. .not. allocated(nuc % energy_0K)) then + if (nuc % fissionable .and. .not. data_0K) then call generate_nu_fission(nuc) end if @@ -393,10 +399,12 @@ contains ! total xs, absorption xs, elastic scattering xs, and heating numbers. !=============================================================================== - subroutine read_esz(nuc) + subroutine read_esz(nuc, data_0K) type(Nuclide), pointer :: nuc + logical :: data_0K ! are we reading 0K data? + integer :: NE ! number of energy points for total and elastic cross sections integer :: i ! index in 0K elastic xs array for this nuclide @@ -408,7 +416,7 @@ contains ! allocate storage for energy grid and cross section arrays ! read in 0K data if we've already read in non-0K data - if (allocated(nuc % energy)) then + if (data_0K) then nuc % n_grid_0K = NE allocate(nuc % energy_0K(NE)) allocate(nuc % elastic_0K(NE)) From 044cad1f073fd51737c3ac18aa78e7c349bc5df3 Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 7 Apr 2014 18:28:28 -0400 Subject: [PATCH 050/187] reflect changes to resonance_scattering defaults --- docs/source/usersguide/input.rst | 37 +++++++++++++++++--------------- 1 file changed, 20 insertions(+), 17 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 2ba8df75bf..59209b52e3 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -250,15 +250,16 @@ attributes or sub-elements: ``nuclide`` sub-element of the ``material`` element in ``materials.xml``, of the nuclide to which a resonance scattering treatment is to be applied. The ``method`` attribute gives the type of resonance scattering treatment - that is to be applied to the ``nuclide``. Acceptable inputs for the - ``method`` attribute are ``ARTS``, ``CXS``, ``WCM``, and ``DBRC``. - Descriptions of each of these methods are documented here_. The - ``xs_label`` attribute gives the label for the cross section data of the - ``nuclide`` at a given temperature. The ``xs_label_0K`` gives the label - for the 0 K cross section data for the ``nuclide``. The ``E_min`` attribute - gives the minimum energy above which the ``method`` is applied. The - ``E_max`` attribute gives the maximum energy below which the ``method`` is - applied. One example would be as follows: + that is to be applied to the ``nuclide``. Acceptable inputs - none of + which are case-sensitive - for the ``method`` attribute are ``ARTS``, + ``CXS``, ``WCM``, and ``DBRC``. Descriptions of each of these methods + are documented here_. The ``xs_label`` attribute gives the label for the + cross section data of the ``nuclide`` at a given temperature. The + ``xs_label_0K`` gives the label for the 0 K cross section data for the + ``nuclide``. The ``E_min`` attribute gives the minimum energy above + which the ``method`` is applied. The ``E_max`` attribute gives the + maximum energy below which the ``method`` is applied. One example would + be as follows: .. _here: http://dx.doi.org/10.1016/j.anucene.2014.01.017 @@ -283,15 +284,17 @@ attributes or sub-elements: - .. note:: The free gas, constant cross section (``cxs``) scattering model, - which has historically been used by Monte Carlo codes to sample - target velocities, is the default ``method``. Below ``E_min``, - the ``cxs`` default method is applied and above ``E_max``, the - target-at-rest (asymptotic) kernel is used. An arbitrary number of - ``scatterer`` elements may be specified, each corresponding to a - single nuclide at a single material temperature. + .. note:: If the ``resonance_scattering`` element is not given, the free gas, + constant cross section (``cxs``) scattering model, which has + historically been used by Monte Carlo codes to sample target + velocities, is used to treat the target motion of all nuclides. If + ``resonance_scattering`` is present, the ``cxs`` method is applied + below ``E_min`` and the target-at-rest (asymptotic) kernel is used + above ``E_max``. An arbitrary number of ``scatterer`` elements may + be specified, each corresponding to a single nuclide at a single + temperature. - *Default*: None + *Defaults*: None (scatterer), ARTS (method), 0.01 eV (E_min), 1.0 keV (E_max) ```` Element ---------------------- From f8c0d77c40868ebc988f01cee209c9ea9823691b Mon Sep 17 00:00:00 2001 From: walshjon Date: Fri, 25 Apr 2014 07:16:51 -0400 Subject: [PATCH 051/187] modified resonance scattering test --- .../test_resonance_scattering.py | 49 ++++++++++++------- 1 file changed, 31 insertions(+), 18 deletions(-) diff --git a/tests/test_resonance_scattering/test_resonance_scattering.py b/tests/test_resonance_scattering/test_resonance_scattering.py index 64d20b6115..bcc3f8a819 100644 --- a/tests/test_resonance_scattering/test_resonance_scattering.py +++ b/tests/test_resonance_scattering/test_resonance_scattering.py @@ -3,42 +3,55 @@ import os from subprocess import Popen, STDOUT, PIPE, call import filecmp -from nose_mpi import NoseMPI import glob +from optparse import OptionParser -pwd = os.path.dirname(__file__) - -def setup(): - os.putenv('PWD', pwd) - os.chdir(pwd) +parser = OptionParser() +parser.add_option('--mpi_exec', dest='mpi_exec', default='') +parser.add_option('--mpi_np', dest='mpi_np', default='3') +parser.add_option('--exe', dest='exe') +(opts, args) = parser.parse_args() +cwd = os.getcwd() def test_run(): - openmc_path = pwd + '/../../src/openmc' - if int(NoseMPI.mpi_np) > 0: - proc = Popen([NoseMPI.mpi_exec, '-np', NoseMPI.mpi_np, openmc_path], + if opts.mpi_exec != '': + proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], stderr=STDOUT, stdout=PIPE) else: - proc = Popen([openmc_path], stderr=STDOUT, stdout=PIPE) + proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) returncode = proc.returncode - assert returncode == 0 + assert returncode == 0, 'OpenMC did not exit successfully.' def test_created_statepoint(): - statepoint = glob.glob(pwd + '/statepoint.10.*') - assert len(statepoint) == 1 - assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5') + statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' + assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ + 'Statepoint file is not a binary or hdf5 file.' def test_results(): - statepoint = glob.glob(pwd + '/statepoint.10.*') + statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: os.rename('results_test.dat', 'results_error.dat') - assert compare + assert compare, 'Results do not agree.' def teardown(): - output = glob.glob(pwd + '/statepoint.10.*') - output.append(pwd + '/results_test.dat') + output = glob.glob(os.path.join(cwd, 'statepoint.10.*')) + output.append(os.path.join(cwd, 'results_test.dat')) for f in output: if os.path.exists(f): os.remove(f) + +if __name__ == '__main__': + + # test for openmc executable + if opts.exe is None: + raise Exception('Must specify OpenMC executable from command line with --exe.') + + # run tests + test_run() + test_created_statepoint() + test_results() + teardown() From a35c705248bb7c759e638effdbf56b67ee67af12 Mon Sep 17 00:00:00 2001 From: walshjon Date: Mon, 12 May 2014 19:36:18 -0700 Subject: [PATCH 052/187] set lower cdf bound to zero if lower energy bound is below available data --- src/physics.F90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/physics.F90 b/src/physics.F90 index 4584416bd8..baf649b66a 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -882,6 +882,7 @@ contains m = (nuc % xs_cdf(i_E_low) - nuc % xs_cdf(i_E_low - 1)) & & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) cdf_low = nuc % xs_cdf(i_E_low - 1) + m * (E_low - nuc % energy_0K(i_E_low)) + if (i_E_low == 1) cdf_low = ZERO m = (nuc % xs_cdf(i_E_up) - nuc % xs_cdf(i_E_up - 1)) & & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) cdf_up = nuc % xs_cdf(i_E_up - 1) + m * (E_up - nuc % energy_0K(i_E_up)) From fc2681d65fcb79849a0f4cb38e49d10ce0dd30c8 Mon Sep 17 00:00:00 2001 From: "Jonathan A. Walsh" Date: Thu, 12 Jun 2014 15:30:38 -0600 Subject: [PATCH 053/187] don't resample ptable xs if diff temperature but same E --- src/ace_header.F90 | 1 + src/cross_section.F90 | 28 ++++++++++++++++++++++------ src/geometry.F90 | 1 + src/material_header.F90 | 1 + 4 files changed, 25 insertions(+), 6 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index e5bf1bb3a4..532a355d3f 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -241,6 +241,7 @@ module ace_header ! Information for URR probability table use logical :: use_ptable ! in URR range with probability tables? + real(8) :: last_prn end type NuclideMicroXS !=============================================================================== diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 7426519cda..80995da861 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -92,9 +92,9 @@ contains ! Calculate microscopic cross section for this nuclide if (p % E /= micro_xs(i_nuclide) % last_E) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E, mat % first_E) else if (i_sab /= micro_xs(i_nuclide) % last_index_sab) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E, mat % first_E) end if ! ======================================================================== @@ -135,11 +135,12 @@ contains ! given index in the nuclides array at the energy of the given particle !=============================================================================== - subroutine calculate_nuclide_xs(i_nuclide, i_sab, E) + subroutine calculate_nuclide_xs(i_nuclide, i_sab, E, first_E) integer, intent(in) :: i_nuclide ! index into nuclides array integer, intent(in) :: i_sab ! index into sab_tables array real(8), intent(in) :: E ! energy + real(8), intent(in) :: first_E ! particle energy when it entered this mat integer :: i_grid ! index on nuclide energy grid real(8) :: f ! interp factor on nuclide energy grid @@ -184,6 +185,8 @@ contains ! Initialize sab treatment to false micro_xs(i_nuclide) % index_sab = NONE micro_xs(i_nuclide) % elastic_sab = ZERO + + ! Initialize URR probability table treatment to false micro_xs(i_nuclide) % use_ptable = .false. ! Initialize nuclide cross-sections to zero @@ -233,7 +236,7 @@ contains if (urr_ptables_on .and. nuc % urr_present) then if (E > nuc % urr_data % energy(1) .and. & E < nuc % urr_data % energy(nuc % urr_data % n_energy)) then - call calculate_urr_xs(i_nuclide, E) + call calculate_urr_xs(i_nuclide, E, first_E) end if end if @@ -334,10 +337,11 @@ contains ! from probability tables !=============================================================================== - subroutine calculate_urr_xs(i_nuclide, E) + subroutine calculate_urr_xs(i_nuclide, E, first_E) integer, intent(in) :: i_nuclide ! index into nuclides array real(8), intent(in) :: E ! energy + real(8), intent(in) :: first_E ! particle energy when it entered this mat integer :: i_energy ! index for energy integer :: i_table ! index for table @@ -370,8 +374,20 @@ contains (urr % energy(i_energy + 1) - urr % energy(i_energy)) ! sample probability table using the cumulative distribution - r = prn() + ! (if we're dealing with an isotope that we've previously encountered at + ! this energy but a different temperature, use the original random number to ! preserve correlation of temperature in probability tables) + if (E /= ZERO .and. E == first_E .and. & + & minval(dble(abs(nuclides(:) % zaid - nuclides(i_nuclide) % zaid)) & + & + abs(micro_xs(:) % last_E - E)) == ZERO) then + r = micro_xs(minloc(dble(abs(nuclides(:) % zaid & + & - nuclides(i_nuclide) % zaid)) + abs(micro_xs(:) % last_E & + & - E),1)) % last_prn + else + r = prn() + end if + i_table = 1 + do if (urr % prob(i_energy, URR_CUM_PROB, i_table) > r) exit i_table = i_table + 1 diff --git a/src/geometry.F90 b/src/geometry.F90 index 24d3ef8b06..1a2544d28d 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -190,6 +190,7 @@ contains ! set material p % last_material = p % material p % material = c % material + materials(p % material) % first_E = p % E elseif (c % type == CELL_FILL) then ! ==================================================================== diff --git a/src/material_header.F90 b/src/material_header.F90 index cbfd917498..d4c7e81290 100644 --- a/src/material_header.F90 +++ b/src/material_header.F90 @@ -12,6 +12,7 @@ module material_header integer, allocatable :: nuclide(:) ! index in nuclides array real(8) :: density ! total atom density in atom/b-cm real(8), allocatable :: atom_density(:) ! nuclide atom density in atom/b-cm + real(8) :: first_E ! particle energy upon entering mat ! S(a,b) data references integer :: n_sab = 0 ! number of S(a,b) tables From ad3519a0efd8a49679e60486f0b2528196130fe9 Mon Sep 17 00:00:00 2001 From: "Jonathan A. Walsh" Date: Thu, 12 Jun 2014 16:48:24 -0600 Subject: [PATCH 054/187] set last prn of a nuclide whenever a prn is needed --- src/cross_section.F90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 80995da861..2f7bcf9e3a 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -384,6 +384,7 @@ contains & - E),1)) % last_prn else r = prn() + micro_xs(i_nuclide) % last_prn = r end if i_table = 1 From 8367a9727cc42c122ed83bb270cc82327fb7d3f7 Mon Sep 17 00:00:00 2001 From: walshjon Date: Thu, 19 Jun 2014 10:09:43 -0400 Subject: [PATCH 055/187] modified res scat test to use nndc data and at a provided temperature --- tests/test_resonance_scattering/materials.xml | 2 +- tests/test_resonance_scattering/results_true.dat | 2 +- tests/test_resonance_scattering/settings.xml | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tests/test_resonance_scattering/materials.xml b/tests/test_resonance_scattering/materials.xml index f1f941f6b8..52a8c04be2 100644 --- a/tests/test_resonance_scattering/materials.xml +++ b/tests/test_resonance_scattering/materials.xml @@ -3,7 +3,7 @@ - + diff --git a/tests/test_resonance_scattering/results_true.dat b/tests/test_resonance_scattering/results_true.dat index caf9941fe0..2649c4414f 100644 --- a/tests/test_resonance_scattering/results_true.dat +++ b/tests/test_resonance_scattering/results_true.dat @@ -1,2 +1,2 @@ k-combined: -6.712684E-02 1.123945E-03 +6.822440E-02 6.306868E-04 diff --git a/tests/test_resonance_scattering/settings.xml b/tests/test_resonance_scattering/settings.xml index 2ac47de972..7ce4f23ac7 100644 --- a/tests/test_resonance_scattering/settings.xml +++ b/tests/test_resonance_scattering/settings.xml @@ -5,8 +5,8 @@ U-238 cxs - 92238.72c - 92238.72c + 92238.71c + 92238.71c 5.0e-6 40.0e-6 From d3f4efde4631e0c1c5dcb5e22d1837f9a96716e9 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Tue, 1 Jul 2014 14:14:31 +0200 Subject: [PATCH 056/187] Added particle restart case for fixed_source runs --- src/fixed_source.F90 | 1 - src/global.F90 | 3 +++ src/particle_restart_write.F90 | 7 ++++++- 3 files changed, 9 insertions(+), 2 deletions(-) diff --git a/src/fixed_source.F90 b/src/fixed_source.F90 index 54c0a26979..0aee9bddb6 100644 --- a/src/fixed_source.F90 +++ b/src/fixed_source.F90 @@ -11,7 +11,6 @@ module fixed_source use tally, only: synchronize_tallies, setup_active_usertallies use tracking, only: transport - type(Bank), pointer :: source_site => null() !$omp threadprivate(source_site) contains diff --git a/src/global.F90 b/src/global.F90 index 02b99bfc89..159c7065db 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -256,6 +256,9 @@ module global ! Mode to run in (fixed source, eigenvalue, plotting, etc) integer :: run_mode = NONE + ! Fixed source particle bank + type(Bank), pointer :: source_site => null() + ! Restart run logical :: restart_run = .false. integer :: restart_batch diff --git a/src/particle_restart_write.F90 b/src/particle_restart_write.F90 index ba22d19d0e..90675d6343 100644 --- a/src/particle_restart_write.F90 +++ b/src/particle_restart_write.F90 @@ -42,7 +42,12 @@ contains call pr % file_create(filename) ! Get information about source particle - src => source_bank(current_work) + select case (run_mode) + case (MODE_EIGENVALUE) + src => source_bank(current_work) + case (MODE_FIXEDSOURCE) + src => source_site + end select ! Write data to file call pr % write_data(FILETYPE_PARTICLE_RESTART, 'filetype') From 0bd1394f871777dec10ed8418cf82135a3979575 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Tue, 1 Jul 2014 17:33:02 +0200 Subject: [PATCH 057/187] Fixed the fixed_source seed and updated the tests --- src/fixed_source.F90 | 5 +++++ src/particle_restart.F90 | 19 ++++++++++++++----- src/particle_restart_write.F90 | 1 + src/utils/particle_restart.py | 1 + tests/test_fixed_source/results_true.dat | 4 ++-- tests/test_particle_restart/results.py | 4 +++- tests/test_particle_restart/results_true.dat | 10 ++++++---- .../test_particle_restart.py | 6 +++--- 8 files changed, 35 insertions(+), 15 deletions(-) diff --git a/src/fixed_source.F90 b/src/fixed_source.F90 index 0aee9bddb6..bb26d671fe 100644 --- a/src/fixed_source.F90 +++ b/src/fixed_source.F90 @@ -68,6 +68,11 @@ contains ! grab source particle from bank call sample_source_particle(p) + ! Reset random number seed (it was changed during source sampling and + ! it should be set before transport is called to make it consistent + ! with eigenvalue and particle_restart). + call set_particle_seed(p % id) + ! transport particle call transport(p) diff --git a/src/particle_restart.F90 b/src/particle_restart.F90 index c524170a69..723d162495 100644 --- a/src/particle_restart.F90 +++ b/src/particle_restart.F90 @@ -9,7 +9,7 @@ module particle_restart use output, only: write_message, print_particle use output_interface, only: BinaryOutput use particle_header, only: Particle - use random_lcg, only: set_particle_seed + use random_lcg, only: set_particle_seed, prn use tracking, only: transport implicit none @@ -28,6 +28,7 @@ contains subroutine run_particle_restart() integer(8) :: particle_seed + integer :: previous_run_mode type(Particle) :: p ! Set verbosity high @@ -37,14 +38,20 @@ contains call p % initialize() ! Read in the restart information - call read_particle_restart(p) + call read_particle_restart(p, previous_run_mode) ! Set all tallies to 0 for now (just tracking errors) n_tallies = 0 ! Compute random number seed - particle_seed = ((current_batch - 1)*gen_per_batch + & - current_gen - 1)*n_particles + p % id + select case (previous_run_mode) + case (MODE_EIGENVALUE) + particle_seed = ((current_batch - 1)*gen_per_batch + & + current_gen - 1)*n_particles + p % id + case (MODE_FIXEDSOURCE) + particle_seed = p % id + end select + call set_particle_seed(particle_seed) ! Transport neutron @@ -59,9 +66,10 @@ contains ! READ_PARTICLE_RESTART reads the particle restart file !=============================================================================== - subroutine read_particle_restart(p) + subroutine read_particle_restart(p, previous_run_mode) integer :: int_scalar + integer, intent(inout) :: previous_run_mode type(Particle), intent(inout) :: p ! Write meessage @@ -79,6 +87,7 @@ contains call pr % read_data(gen_per_batch, 'gen_per_batch') call pr % read_data(current_gen, 'current_gen') call pr % read_data(n_particles, 'n_particles') + call pr % read_data(previous_run_mode, 'run_mode') call pr % read_data(p % id, 'id') call pr % read_data(p % wgt, 'weight') call pr % read_data(p % E, 'energy') diff --git a/src/particle_restart_write.F90 b/src/particle_restart_write.F90 index 90675d6343..9fcabe9229 100644 --- a/src/particle_restart_write.F90 +++ b/src/particle_restart_write.F90 @@ -56,6 +56,7 @@ contains call pr % write_data(gen_per_batch, 'gen_per_batch') call pr % write_data(current_gen, 'current_gen') call pr % write_data(n_particles, 'n_particles') + call pr % write_data(run_mode, 'run_mode') call pr % write_data(p % id, 'id') call pr % write_data(src % wgt, 'weight') call pr % write_data(src % E, 'energy') diff --git a/src/utils/particle_restart.py b/src/utils/particle_restart.py index 92d28910c6..87b039e4a6 100644 --- a/src/utils/particle_restart.py +++ b/src/utils/particle_restart.py @@ -30,6 +30,7 @@ class Particle(object): self.gen_per_batch = self._get_int(path='gen_per_batch')[0] self.current_gen = self._get_int(path='current_gen')[0] self.n_particles = self._get_long(path='n_particles')[0] + self.run_mode = self._get_int(path='run_mode')[0] # Read particle properties self.id = self._get_long(path='id')[0] diff --git a/tests/test_fixed_source/results_true.dat b/tests/test_fixed_source/results_true.dat index 64dff1821c..e25333acf3 100644 --- a/tests/test_fixed_source/results_true.dat +++ b/tests/test_fixed_source/results_true.dat @@ -1,3 +1,3 @@ tallies: -4.538492E+02 -2.066738E+04 +4.339791E+02 +1.898784E+04 diff --git a/tests/test_particle_restart/results.py b/tests/test_particle_restart/results.py index 515274f1ee..7c10762449 100644 --- a/tests/test_particle_restart/results.py +++ b/tests/test_particle_restart/results.py @@ -10,7 +10,7 @@ import particle_restart as pr if len(sys.argv) > 1: p = pr.Particle(sys.argv[1]) else: - p = pr.Particle('particle_12_192.binary') + p = pr.Particle('particle_12_556.binary') # set up output string outstr = '' @@ -22,6 +22,8 @@ outstr += 'current gen:\n' outstr += "{0:12.6E}\n".format(p.current_gen) outstr += 'particle id:\n' outstr += "{0:12.6E}\n".format(p.id) +outstr += 'run mode:\n' +outstr += "{0:12.6E}\n".format(p.run_mode) outstr += 'particle weight:\n' outstr += "{0:12.6E}\n".format(p.weight) outstr += 'particle energy:\n' diff --git a/tests/test_particle_restart/results_true.dat b/tests/test_particle_restart/results_true.dat index a59e626ce8..7139ec8450 100644 --- a/tests/test_particle_restart/results_true.dat +++ b/tests/test_particle_restart/results_true.dat @@ -3,12 +3,14 @@ current batch: current gen: 1.000000E+00 particle id: -1.920000E+02 +5.560000E+02 +run mode: +2.000000E+00 particle weight: 1.000000E+00 particle energy: -3.643953E+00 +1.691175E+00 particle xyz: --4.855597E+01 5.269521E+01 3.202196E+01 +-3.806864E+01 6.026401E+01 1.932278E+01 particle uvw: --8.742346E-01 4.493061E-01 -1.839506E-01 +4.129564E-01 -8.535159E-01 3.177696E-01 diff --git a/tests/test_particle_restart/test_particle_restart.py b/tests/test_particle_restart/test_particle_restart.py index 3342c0af10..fdb2b6ba55 100644 --- a/tests/test_particle_restart/test_particle_restart.py +++ b/tests/test_particle_restart/test_particle_restart.py @@ -24,13 +24,13 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_created_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) assert len(particle) == 1, 'Either multiple or no particle restart files exist.' assert particle[0].endswith('binary') or \ particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' def test_results(): - particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) call(['python', 'results.py', particle[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -38,7 +38,7 @@ def test_results(): assert compare, 'Results do not agree.' def test_run_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) returncode = proc.returncode From 3bd733bd89f88157870aaba94d4ea3b81ef5d47f Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Thu, 10 Jul 2014 18:24:53 +0200 Subject: [PATCH 058/187] Added zero-padded statepoint names --- src/state_point.F90 | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/src/state_point.F90 b/src/state_point.F90 index 83d768a1ba..e3ce3f9972 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -36,15 +36,26 @@ contains subroutine write_state_point() + character(MAX_FILE_LEN) :: batch_form + character(MAX_FILE_LEN) :: batch_string character(MAX_FILE_LEN) :: filename + integer :: n_digits integer :: i integer :: j integer, allocatable :: temp_array(:) type(TallyObject), pointer :: t => null() + ! Count digits needed to represent largest batch number (for file name). + n_digits = 1 + do while (n_batches / 10**(n_digits) /= 0 & + & .and. n_batches / 10 **(n_digits-1) /= 1) + n_digits = n_digits + 1 + end do + ! Convert the current batch batch to a zero-padded string. + write(batch_form, '("(I", I0, ".", I0, ")")') n_digits, n_digits + write(batch_string, batch_form) current_batch ! Set filename for state point - filename = trim(path_output) // 'statepoint.' // & - trim(to_str(current_batch)) + filename = trim(path_output) // 'statepoint.' // batch_string ! Append appropriate extension #ifdef HDF5 From d1f863b2be48078281e6a56d05b5ae22f1b38093 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 11 Jul 2014 16:04:10 +0200 Subject: [PATCH 059/187] Wrapped batch number zero padding into a function --- src/state_point.F90 | 40 +++++++++++++++++++++++++++------------- 1 file changed, 27 insertions(+), 13 deletions(-) diff --git a/src/state_point.F90 b/src/state_point.F90 index e3ce3f9972..5cb2f5ad7a 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -36,26 +36,14 @@ contains subroutine write_state_point() - character(MAX_FILE_LEN) :: batch_form - character(MAX_FILE_LEN) :: batch_string character(MAX_FILE_LEN) :: filename - integer :: n_digits integer :: i integer :: j integer, allocatable :: temp_array(:) type(TallyObject), pointer :: t => null() - ! Count digits needed to represent largest batch number (for file name). - n_digits = 1 - do while (n_batches / 10**(n_digits) /= 0 & - & .and. n_batches / 10 **(n_digits-1) /= 1) - n_digits = n_digits + 1 - end do - ! Convert the current batch batch to a zero-padded string. - write(batch_form, '("(I", I0, ".", I0, ")")') n_digits, n_digits - write(batch_string, batch_form) current_batch ! Set filename for state point - filename = trim(path_output) // 'statepoint.' // batch_string + filename = trim(path_output) // 'statepoint.' // zero_padded_batch() ! Append appropriate extension #ifdef HDF5 @@ -821,6 +809,32 @@ contains end subroutine load_state_point +!=============================================================================== +! STATE_POINT -- This module handles writing and reading state point +!=============================================================================== + + function zero_padded_batch() + character(MAX_FILE_LEN) :: zero_padded_batch + + character(MAX_FILE_LEN) :: batch_form + character(MAX_FILE_LEN) :: batch_string + character(MAX_FILE_LEN) :: filename + integer :: n_digits + + ! Count digits needed to represent largest batch number. + n_digits = 1 + do while (n_batches / 10**(n_digits) /= 0 & + & .and. n_batches / 10 **(n_digits-1) /= 1) + n_digits = n_digits + 1 + end do + + ! Write a format string of the form In.n where n is n_digits. + write(batch_form, '("(I", I0, ".", I0, ")")') n_digits, n_digits + + ! Format the batch number + write(zero_padded_batch, batch_form) current_batch + end function zero_padded_batch + subroutine read_source ! TODO write this routine ! TODO what if n_particles does not match source bank From 244e9970e216f21820f858c1206c8467e24d50cf Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 11 Jul 2014 16:09:16 +0200 Subject: [PATCH 060/187] Added zero padded filenames for source files Also correcteted statepoint filenames in write_source_point --- src/state_point.F90 | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/state_point.F90 b/src/state_point.F90 index 5cb2f5ad7a..cb276e2700 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -304,7 +304,7 @@ contains if (source_separate) then ! Set filename - filename = trim(path_output) // 'source.' // trim(to_str(current_batch)) + filename = trim(path_output) // 'source.' // zero_padded_batch() #ifdef HDF5 filename = trim(filename) // '.h5' #else @@ -324,8 +324,7 @@ contains else ! Set filename for state point - filename = trim(path_output) // 'statepoint.' // & - trim(to_str(current_batch)) + filename = trim(path_output) // 'statepoint.' // zero_padded_batch() #ifdef HDF5 filename = trim(filename) // '.h5' #else From aa2f94ef3485a40968dc78823d6c740cad036552 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 11 Jul 2014 17:29:56 +0200 Subject: [PATCH 061/187] Updated tests for zero padded filenames --- tests/test_sourcepoint_batch/results.py | 2 +- .../test_sourcepoint_batch.py | 2 +- tests/test_sourcepoint_interval/results.py | 2 +- .../test_sourcepoint_interval.py | 2 +- .../test_sourcepoint_restart.py | 14 +++++------ tests/test_statepoint_batch/results.py | 2 +- .../test_statepoint_batch.py | 14 +++++------ .../test_statepoint_interval.py | 16 ++++++------- tests/test_statepoint_restart/results.py | 2 +- .../test_statepoint_restart.py | 24 +++++++++---------- 10 files changed, 40 insertions(+), 40 deletions(-) diff --git a/tests/test_sourcepoint_batch/results.py b/tests/test_sourcepoint_batch/results.py index 9b0f577eb0..96984b2fae 100644 --- a/tests/test_sourcepoint_batch/results.py +++ b/tests/test_sourcepoint_batch/results.py @@ -10,7 +10,7 @@ import statepoint if len(sys.argv) > 1: sp = statepoint.StatePoint(sys.argv[1]) else: - sp = statepoint.StatePoint('statepoint.8.binary') + sp = statepoint.StatePoint('statepoint.08.binary') sp.read_results() sp.read_source() diff --git a/tests/test_sourcepoint_batch/test_sourcepoint_batch.py b/tests/test_sourcepoint_batch/test_sourcepoint_batch.py index a1c89690b8..4258a54de7 100644 --- a/tests/test_sourcepoint_batch/test_sourcepoint_batch.py +++ b/tests/test_sourcepoint_batch/test_sourcepoint_batch.py @@ -30,7 +30,7 @@ def test_statepoint_exists(): 'Statepoint file detected that is not binary or hdf5.' def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.8.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: diff --git a/tests/test_sourcepoint_interval/results.py b/tests/test_sourcepoint_interval/results.py index 9b0f577eb0..96984b2fae 100644 --- a/tests/test_sourcepoint_interval/results.py +++ b/tests/test_sourcepoint_interval/results.py @@ -10,7 +10,7 @@ import statepoint if len(sys.argv) > 1: sp = statepoint.StatePoint(sys.argv[1]) else: - sp = statepoint.StatePoint('statepoint.8.binary') + sp = statepoint.StatePoint('statepoint.08.binary') sp.read_results() sp.read_source() diff --git a/tests/test_sourcepoint_interval/test_sourcepoint_interval.py b/tests/test_sourcepoint_interval/test_sourcepoint_interval.py index a583370c35..2a089747f6 100644 --- a/tests/test_sourcepoint_interval/test_sourcepoint_interval.py +++ b/tests/test_sourcepoint_interval/test_sourcepoint_interval.py @@ -30,7 +30,7 @@ def test_statepoint_exists(): 'Statepoint file detected that is not binary or hdf5.' def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.8.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: diff --git a/tests/test_sourcepoint_restart/test_sourcepoint_restart.py b/tests/test_sourcepoint_restart/test_sourcepoint_restart.py index d42763be3e..47033b0121 100644 --- a/tests/test_sourcepoint_restart/test_sourcepoint_restart.py +++ b/tests/test_sourcepoint_restart/test_sourcepoint_restart.py @@ -28,7 +28,7 @@ def test_created_statepoint(): assert len(statepoint) == 2, '2 statepoint files must exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint file must either be binary or hdf5.' - sourcepoint = glob.glob(os.path.join(cwd, 'source.7.*')) + sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) assert len(sourcepoint) == 1, 'Either multiple or no source files found.' assert sourcepoint[0].endswith('binary') or sourcepoint[0].endswith('h5'),\ 'Source file must either be binary or hdf5.' @@ -43,8 +43,8 @@ def test_results(): os.remove(statepoint[0]) def test_restart_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) + sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) if opts.mpi_exec != '': proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-r', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) @@ -70,8 +70,8 @@ def test_results_form1(): os.remove(statepoint[0]) def test_restart_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) + sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) if opts.mpi_exec != '': proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '--restart', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) @@ -97,8 +97,8 @@ def test_results_form2(): os.remove(statepoint[0]) def test_restart_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) - sourcepoint = glob.glob(os.path.join(cwd, 'source.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) + sourcepoint = glob.glob(os.path.join(cwd, 'source.07.*')) proc = Popen([opts.exe, '--restart', statepoint[0], sourcepoint[0], cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) returncode = proc.returncode diff --git a/tests/test_statepoint_batch/results.py b/tests/test_statepoint_batch/results.py index 31c0ac3caa..112c005167 100644 --- a/tests/test_statepoint_batch/results.py +++ b/tests/test_statepoint_batch/results.py @@ -10,7 +10,7 @@ import statepoint if len(sys.argv) > 1: sp = statepoint.StatePoint(sys.argv[1]) else: - sp = statepoint.StatePoint('statepoint.9.binary') + sp = statepoint.StatePoint('statepoint.09.binary') sp.read_results() # set up output string diff --git a/tests/test_statepoint_batch/test_statepoint_batch.py b/tests/test_statepoint_batch/test_statepoint_batch.py index a594b2c5a9..e1951d23fd 100644 --- a/tests/test_statepoint_batch/test_statepoint_batch.py +++ b/tests/test_statepoint_batch/test_statepoint_batch.py @@ -24,21 +24,21 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_statepoints_exist(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.3.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.3 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.03.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.03 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.3 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.6.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.6 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.06.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.06 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.6 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.9.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.9 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.09.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.09 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.9 file is not a binary or hdf5 file.' def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.9.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.09.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: diff --git a/tests/test_statepoint_interval/test_statepoint_interval.py b/tests/test_statepoint_interval/test_statepoint_interval.py index b7c30d3384..1099566e58 100644 --- a/tests/test_statepoint_interval/test_statepoint_interval.py +++ b/tests/test_statepoint_interval/test_statepoint_interval.py @@ -25,20 +25,20 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_statepoints_exist(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.2.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.2 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.02.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.02 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.2 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.4.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.4 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.04.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.04 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.4 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.6.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.6 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.06.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.06 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.6 file is not a binary or hdf5 file.' - statepoint = glob.glob(os.path.join(cwd, 'statepoint.8.*')) - assert len(statepoint) == 1, 'Either multiple or no statepoint.8 files exist.' + statepoint = glob.glob(os.path.join(cwd, 'statepoint.08.*')) + assert len(statepoint) == 1, 'Either multiple or no statepoint.08 files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint.8 file is not a binary or hdf5 file.' statepoint = glob.glob(os.path.join(cwd, 'statepoint.10.*')) diff --git a/tests/test_statepoint_restart/results.py b/tests/test_statepoint_restart/results.py index d0b3a55e04..dd9dedd035 100644 --- a/tests/test_statepoint_restart/results.py +++ b/tests/test_statepoint_restart/results.py @@ -11,7 +11,7 @@ import statepoint if len(sys.argv) > 1: sp = statepoint.StatePoint(sys.argv[1]) else: - sp = statepoint.StatePoint('statepoint.7.binary') + sp = statepoint.StatePoint('statepoint.07.binary') sp.read_results() # extract tally results and convert to vector diff --git a/tests/test_statepoint_restart/test_statepoint_restart.py b/tests/test_statepoint_restart/test_statepoint_restart.py index 9473cc6923..a26a94442a 100644 --- a/tests/test_statepoint_restart/test_statepoint_restart.py +++ b/tests/test_statepoint_restart/test_statepoint_restart.py @@ -24,13 +24,13 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_created_statepoint(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint file is not a binary or hdf5 file.' def test_results(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -38,7 +38,7 @@ def test_results(): assert compare, 'Initial test results do not agree.' def test_restart_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) if opts.mpi_exec != '': proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '-r', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) @@ -49,13 +49,13 @@ def test_restart_form1(): assert returncode == 0, 'OpenMC restart 1 did not exit successfully.' def test_created_statepoint_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint file is not a binary or hdf5 file.' def test_results_form1(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -63,7 +63,7 @@ def test_results_form1(): assert compare, 'Restart 1 test results do not agree.' def test_restart_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) if opts.mpi_exec != '': proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, '--restart', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) @@ -74,13 +74,13 @@ def test_restart_form2(): assert returncode == 0, 'OpenMC restart 2 did not exit successfully.' def test_created_statepoint_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint file is not a binary or hdf5 file.' def test_results_form2(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -88,20 +88,20 @@ def test_results_form2(): assert compare, 'Restart 2 test results do not agree.' def test_restart_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) proc = Popen([opts.exe, '--restart', statepoint[0], cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) returncode = proc.returncode assert returncode == 0, 'OpenMC restart serial did not exit successfully.' def test_created_statepoint_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) assert len(statepoint) == 1, 'Either multiple or no statepoint files exist.' assert statepoint[0].endswith('binary') or statepoint[0].endswith('h5'),\ 'Statepoint file is not a binary or hdf5 file.' def test_results_serial(): - statepoint = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + statepoint = glob.glob(os.path.join(cwd, 'statepoint.07.*')) call(['python', 'results.py', statepoint[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -109,7 +109,7 @@ def test_results_serial(): assert compare, 'Restart serial test results do not agree.' def teardown(): - output = glob.glob(os.path.join(cwd, 'statepoint.7.*')) + output = glob.glob(os.path.join(cwd, 'statepoint.07.*')) output.append(os.path.join(cwd, 'results_test.dat')) for f in output: if os.path.exists(f): From 147af675fefc671bb9a4b1fa4fb9090fdae693c3 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 11 Jul 2014 17:36:09 +0200 Subject: [PATCH 062/187] Commented zero_padded_batch --- src/state_point.F90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/state_point.F90 b/src/state_point.F90 index cb276e2700..a4c4375722 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -809,7 +809,9 @@ contains end subroutine load_state_point !=============================================================================== -! STATE_POINT -- This module handles writing and reading state point +! ZERO_PADDED_BATCH -- This function returns the current batch number as a +! string formatted into a zero padded integer. For example, batch 3 out of 100 +! will be returned as '003'. !=============================================================================== function zero_padded_batch() From 884fcac8465d04609a113a7e25b28c3b9aa39b92 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Wed, 16 Jul 2014 20:47:15 +0200 Subject: [PATCH 063/187] Corrected tests for fixed_source particle restarts --- tests/test_particle_restart/results.py | 2 +- tests/test_particle_restart/results_true.dat | 8 ++++---- tests/test_particle_restart/test_particle_restart.py | 6 +++--- 3 files changed, 8 insertions(+), 8 deletions(-) diff --git a/tests/test_particle_restart/results.py b/tests/test_particle_restart/results.py index 7c10762449..b8ff2f5f0a 100644 --- a/tests/test_particle_restart/results.py +++ b/tests/test_particle_restart/results.py @@ -10,7 +10,7 @@ import particle_restart as pr if len(sys.argv) > 1: p = pr.Particle(sys.argv[1]) else: - p = pr.Particle('particle_12_556.binary') + p = pr.Particle('particle_12_192.binary') # set up output string outstr = '' diff --git a/tests/test_particle_restart/results_true.dat b/tests/test_particle_restart/results_true.dat index 7139ec8450..7f7b6912a5 100644 --- a/tests/test_particle_restart/results_true.dat +++ b/tests/test_particle_restart/results_true.dat @@ -3,14 +3,14 @@ current batch: current gen: 1.000000E+00 particle id: -5.560000E+02 +1.920000E+02 run mode: 2.000000E+00 particle weight: 1.000000E+00 particle energy: -1.691175E+00 +3.643953E+00 particle xyz: --3.806864E+01 6.026401E+01 1.932278E+01 +-4.855597E+01 5.269521E+01 3.202196E+01 particle uvw: -4.129564E-01 -8.535159E-01 3.177696E-01 +-8.742346E-01 4.493061E-01 -1.839506E-01 diff --git a/tests/test_particle_restart/test_particle_restart.py b/tests/test_particle_restart/test_particle_restart.py index fdb2b6ba55..3342c0af10 100644 --- a/tests/test_particle_restart/test_particle_restart.py +++ b/tests/test_particle_restart/test_particle_restart.py @@ -24,13 +24,13 @@ def test_run(): assert returncode == 0, 'OpenMC did not exit successfully.' def test_created_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) assert len(particle) == 1, 'Either multiple or no particle restart files exist.' assert particle[0].endswith('binary') or \ particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' def test_results(): - particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) call(['python', 'results.py', particle[0]]) compare = filecmp.cmp('results_test.dat', 'results_true.dat') if not compare: @@ -38,7 +38,7 @@ def test_results(): assert compare, 'Results do not agree.' def test_run_restart(): - particle = glob.glob(os.path.join(cwd, 'particle_12_556.*')) + particle = glob.glob(os.path.join(cwd, 'particle_12_192.*')) proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) print(proc.communicate()[0]) returncode = proc.returncode From df261e9a92a6125d7e88dc52aa128ab29c610630 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 18 Jul 2014 15:27:36 +0200 Subject: [PATCH 064/187] Moved zero-padding features to string.F90 --- src/state_point.F90 | 40 +++++++---------------------------- src/string.F90 | 51 ++++++++++++++++++++++++++++++++++++++++++++- 2 files changed, 58 insertions(+), 33 deletions(-) diff --git a/src/state_point.F90 b/src/state_point.F90 index a4c4375722..8aff2ec364 100644 --- a/src/state_point.F90 +++ b/src/state_point.F90 @@ -16,7 +16,7 @@ module state_point use error, only: fatal_error, warning use global use output, only: write_message, time_stamp - use string, only: to_str + use string, only: to_str, zero_padded, count_digits use output_interface use tally_header, only: TallyObject @@ -43,7 +43,8 @@ contains type(TallyObject), pointer :: t => null() ! Set filename for state point - filename = trim(path_output) // 'statepoint.' // zero_padded_batch() + filename = trim(path_output) // 'statepoint.' // & + & zero_padded(current_batch, count_digits(n_batches)) ! Append appropriate extension #ifdef HDF5 @@ -304,7 +305,9 @@ contains if (source_separate) then ! Set filename - filename = trim(path_output) // 'source.' // zero_padded_batch() + filename = trim(path_output) // 'source.' // & + & zero_padded(current_batch, count_digits(n_batches)) + #ifdef HDF5 filename = trim(filename) // '.h5' #else @@ -324,7 +327,8 @@ contains else ! Set filename for state point - filename = trim(path_output) // 'statepoint.' // zero_padded_batch() + filename = trim(path_output) // 'statepoint.' // & + & zero_padded(current_batch, count_digits(n_batches)) #ifdef HDF5 filename = trim(filename) // '.h5' #else @@ -808,34 +812,6 @@ contains end subroutine load_state_point -!=============================================================================== -! ZERO_PADDED_BATCH -- This function returns the current batch number as a -! string formatted into a zero padded integer. For example, batch 3 out of 100 -! will be returned as '003'. -!=============================================================================== - - function zero_padded_batch() - character(MAX_FILE_LEN) :: zero_padded_batch - - character(MAX_FILE_LEN) :: batch_form - character(MAX_FILE_LEN) :: batch_string - character(MAX_FILE_LEN) :: filename - integer :: n_digits - - ! Count digits needed to represent largest batch number. - n_digits = 1 - do while (n_batches / 10**(n_digits) /= 0 & - & .and. n_batches / 10 **(n_digits-1) /= 1) - n_digits = n_digits + 1 - end do - - ! Write a format string of the form In.n where n is n_digits. - write(batch_form, '("(I", I0, ".", I0, ")")') n_digits, n_digits - - ! Format the batch number - write(zero_padded_batch, batch_form) current_batch - end function zero_padded_batch - subroutine read_source ! TODO write this routine ! TODO what if n_particles does not match source bank diff --git a/src/string.F90 b/src/string.F90 index e322894b55..d04dbd0532 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -1,7 +1,7 @@ module string use constants, only: MAX_WORDS, MAX_LINE_LEN, ERROR_INT, ERROR_REAL - use error, only: warning + use error, only: fatal_error, warning use global, only: message implicit none @@ -184,6 +184,39 @@ contains end subroutine upper_case +!=============================================================================== +! ZERO_PADDED returns a string of the input integer padded with zeros to the +! desired number of digits. Do not include the sign in n_digits for negative +! integers. +!=============================================================================== + +function zero_padded(num, n_digits) result(str) + integer, intent(in) :: num + integer, intent(in) :: n_digits + character(11) :: str + + character(8) :: zp_form + + ! Make sure n_digits is reasonable. 10 digits is the maximum needed for the + ! largest integer(4). + if (n_digits > 10) then + message = 'int4_to_padstr called with unreasonably large n_digits (>10)' + call fatal_error() + end if + + ! Write a format string of the form '(In.m)' where n is the max width and + ! m is the min width. If a sign is present, then n must be one greater + ! than m. + if (num < 0) then + write(zp_form, '("(I", I0, ".", I0, ")")') n_digits+1, n_digits + else + write(zp_form, '("(I", I0, ".", I0, ")")') n_digits, n_digits + end if + + ! Format the number. + write(str, zp_form) num +end function zero_padded + !=============================================================================== ! IS_NUMBER determines whether a string of characters is all 0-9 characters !=============================================================================== @@ -268,6 +301,22 @@ contains end function ends_with +!=============================================================================== +! COUNT_DIGITS returns the number of digits needed to represent the input +! integer. +!=============================================================================== + + function count_digits(num) result(n_digits) + integer, intent(in) :: num + integer :: n_digits + + n_digits = 1 + do while (num / 10**(n_digits) /= 0 .and. abs(num / 10 **(n_digits-1)) /= 1) + n_digits = n_digits + 1 + end do + + end function count_digits + !=============================================================================== ! INT4_TO_STR converts an integer(4) to a string. !=============================================================================== From e99f964d475d2023511a937f2ac3f9d26a97bf1b Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Tue, 29 Jul 2014 10:25:46 +0200 Subject: [PATCH 065/187] Fixed zero_padded error message typo --- src/string.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/string.F90 b/src/string.F90 index d04dbd0532..c53645c15e 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -200,7 +200,7 @@ function zero_padded(num, n_digits) result(str) ! Make sure n_digits is reasonable. 10 digits is the maximum needed for the ! largest integer(4). if (n_digits > 10) then - message = 'int4_to_padstr called with unreasonably large n_digits (>10)' + message = 'zero_padded called with an unreasonably large n_digits (>10)' call fatal_error() end if From 0c998286ad92b5e7e890ec8c28275841188e70e5 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Wed, 30 Jul 2014 15:07:03 +0200 Subject: [PATCH 066/187] Fixed overflow error in count_digits --- src/string.F90 | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/string.F90 b/src/string.F90 index c53645c15e..f78b94d07f 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -311,7 +311,10 @@ end function zero_padded integer :: n_digits n_digits = 1 - do while (num / 10**(n_digits) /= 0 .and. abs(num / 10 **(n_digits-1)) /= 1) + do while (num / 10**(n_digits) /= 0 .and. abs(num / 10 **(n_digits-1)) /= 1& + &.and. n_digits /= 10) + ! Note that 10 digits is the maximum needed to represent an integer(4) so + ! the loop automatically exits when n_digits = 10. n_digits = n_digits + 1 end do From 3d38155179383ab2ab284dc7aa3a393e7e07874a Mon Sep 17 00:00:00 2001 From: Jon Walsh Date: Wed, 30 Jul 2014 19:06:31 -0600 Subject: [PATCH 067/187] fixed comment that was over 80 characters --- src/cross_section.F90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 2f7bcf9e3a..815e6e90d7 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -374,8 +374,10 @@ contains (urr % energy(i_energy + 1) - urr % energy(i_energy)) ! sample probability table using the cumulative distribution + ! (if we're dealing with an isotope that we've previously encountered at - ! this energy but a different temperature, use the original random number to ! preserve correlation of temperature in probability tables) + ! this energy but a different temperature, use the original random number to + ! preserve correlation of temperature in probability tables) if (E /= ZERO .and. E == first_E .and. & & minval(dble(abs(nuclides(:) % zaid - nuclides(i_nuclide) % zaid)) & & + abs(micro_xs(:) % last_E - E)) == ZERO) then From 560e979836afb8d0cb135af565da09f235c16d0f Mon Sep 17 00:00:00 2001 From: Jon Walsh Date: Wed, 30 Jul 2014 22:10:49 -0600 Subject: [PATCH 068/187] check for void material to avoid out of bounds --- src/geometry.F90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/geometry.F90 b/src/geometry.F90 index 1a2544d28d..03eddb5ec4 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -190,7 +190,8 @@ contains ! set material p % last_material = p % material p % material = c % material - materials(p % material) % first_E = p % E + if(p % material /= MATERIAL_VOID) & + & materials(p % material) % first_E = p % E elseif (c % type == CELL_FILL) then ! ==================================================================== From 60127faddca151c328f397012c118ae2afd13760 Mon Sep 17 00:00:00 2001 From: Jon Walsh Date: Thu, 31 Jul 2014 21:22:14 -0600 Subject: [PATCH 069/187] removed vestigial check, variable --- src/cross_section.F90 | 14 ++++++-------- src/geometry.F90 | 2 -- src/material_header.F90 | 1 - 3 files changed, 6 insertions(+), 11 deletions(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 815e6e90d7..cb97e5512a 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -92,9 +92,9 @@ contains ! Calculate microscopic cross section for this nuclide if (p % E /= micro_xs(i_nuclide) % last_E) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E, mat % first_E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E) else if (i_sab /= micro_xs(i_nuclide) % last_index_sab) then - call calculate_nuclide_xs(i_nuclide, i_sab, p % E, mat % first_E) + call calculate_nuclide_xs(i_nuclide, i_sab, p % E) end if ! ======================================================================== @@ -135,12 +135,11 @@ contains ! given index in the nuclides array at the energy of the given particle !=============================================================================== - subroutine calculate_nuclide_xs(i_nuclide, i_sab, E, first_E) + subroutine calculate_nuclide_xs(i_nuclide, i_sab, E) integer, intent(in) :: i_nuclide ! index into nuclides array integer, intent(in) :: i_sab ! index into sab_tables array real(8), intent(in) :: E ! energy - real(8), intent(in) :: first_E ! particle energy when it entered this mat integer :: i_grid ! index on nuclide energy grid real(8) :: f ! interp factor on nuclide energy grid @@ -236,7 +235,7 @@ contains if (urr_ptables_on .and. nuc % urr_present) then if (E > nuc % urr_data % energy(1) .and. & E < nuc % urr_data % energy(nuc % urr_data % n_energy)) then - call calculate_urr_xs(i_nuclide, E, first_E) + call calculate_urr_xs(i_nuclide, E) end if end if @@ -337,11 +336,10 @@ contains ! from probability tables !=============================================================================== - subroutine calculate_urr_xs(i_nuclide, E, first_E) + subroutine calculate_urr_xs(i_nuclide, E) integer, intent(in) :: i_nuclide ! index into nuclides array real(8), intent(in) :: E ! energy - real(8), intent(in) :: first_E ! particle energy when it entered this mat integer :: i_energy ! index for energy integer :: i_table ! index for table @@ -378,7 +376,7 @@ contains ! (if we're dealing with an isotope that we've previously encountered at ! this energy but a different temperature, use the original random number to ! preserve correlation of temperature in probability tables) - if (E /= ZERO .and. E == first_E .and. & + if (E /= ZERO .and. & & minval(dble(abs(nuclides(:) % zaid - nuclides(i_nuclide) % zaid)) & & + abs(micro_xs(:) % last_E - E)) == ZERO) then r = micro_xs(minloc(dble(abs(nuclides(:) % zaid & diff --git a/src/geometry.F90 b/src/geometry.F90 index 03eddb5ec4..24d3ef8b06 100644 --- a/src/geometry.F90 +++ b/src/geometry.F90 @@ -190,8 +190,6 @@ contains ! set material p % last_material = p % material p % material = c % material - if(p % material /= MATERIAL_VOID) & - & materials(p % material) % first_E = p % E elseif (c % type == CELL_FILL) then ! ==================================================================== diff --git a/src/material_header.F90 b/src/material_header.F90 index d4c7e81290..cbfd917498 100644 --- a/src/material_header.F90 +++ b/src/material_header.F90 @@ -12,7 +12,6 @@ module material_header integer, allocatable :: nuclide(:) ! index in nuclides array real(8) :: density ! total atom density in atom/b-cm real(8), allocatable :: atom_density(:) ! nuclide atom density in atom/b-cm - real(8) :: first_E ! particle energy upon entering mat ! S(a,b) data references integer :: n_sab = 0 ! number of S(a,b) tables From d720072dc310df7c5799a60ed84a97170d64297c Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 5 Aug 2014 22:03:39 -0400 Subject: [PATCH 070/187] Make many Python utilities compatible with Python3. --- src/utils/eigenfunction_rms.py | 3 +- src/utils/particle_restart.py | 6 +- src/utils/plot_mesh_tally.py | 2 +- src/utils/statepoint.py | 26 ++++----- src/utils/statepoint_3d.py | 98 ++++++++++++++++---------------- src/utils/statepoint_cmp.py | 2 +- src/utils/statepoint_meshplot.py | 4 +- src/utils/voxel.py | 28 ++++----- 8 files changed, 85 insertions(+), 84 deletions(-) diff --git a/src/utils/eigenfunction_rms.py b/src/utils/eigenfunction_rms.py index 44394ae483..b0883d8dbb 100644 --- a/src/utils/eigenfunction_rms.py +++ b/src/utils/eigenfunction_rms.py @@ -10,7 +10,6 @@ import numpy as np import statepoint def main(tally_id, score_id, batch_start, batch_end, name): - # read in statepoint header data sp = statepoint.StatePoint('statepoint.ref.binary') @@ -52,7 +51,7 @@ def main(tally_id, score_id, batch_start, batch_end, name): norms[i - batch_start] = norm # print - print 'Batch: '+str(i)+' Histories: '+str(n_histories)+' Norm: '+str(norm) + print('Batch: {0} Histories: {1} Norm: {2}'.format(i, n_histories, norm)) i += 1 diff --git a/src/utils/particle_restart.py b/src/utils/particle_restart.py index 92d28910c6..c547234b06 100644 --- a/src/utils/particle_restart.py +++ b/src/utils/particle_restart.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python import struct @@ -50,9 +50,9 @@ class Particle(object): def _get_long(self, n=1, path=None): if self._hdf5: - return [long(v) for v in self._f[path].value] + return [int(v) for v in self._f[path].value] else: - return [long(v) for v in self._get_data(n, 'q', 8)] + return [int(v) for v in self._get_data(n, 'q', 8)] def _get_float(self, n=1, path=None): if self._hdf5: diff --git a/src/utils/plot_mesh_tally.py b/src/utils/plot_mesh_tally.py index ad51a8bb35..b78305ebb6 100755 --- a/src/utils/plot_mesh_tally.py +++ b/src/utils/plot_mesh_tally.py @@ -206,7 +206,7 @@ class MeshPlotter(tk.Frame): # Create spec_list spec_list = [] - for f in list(selectedTally.filters.values()): + for f in selectedTally.filters.values(): if f.type == 'mesh': continue index = self.filterBoxes[f.type].current() diff --git a/src/utils/statepoint.py b/src/utils/statepoint.py index 3799aa7253..5a9764d92b 100644 --- a/src/utils/statepoint.py +++ b/src/utils/statepoint.py @@ -302,7 +302,7 @@ class StatePoint(object): # Set up stride stride = 1 - for f in t.filters.values()[::-1]: + for f in list(t.filters.values())[::-1]: f.stride = stride stride *= f.length @@ -501,15 +501,15 @@ class StatePoint(object): try: tally = self.tallies[tally_id-1] except: - print 'Tally does not exist' + print('Tally does not exist') return # get the score index if it is present try: idx = tally.scores.index(score_str) except ValueError: - print 'Score does not exist' - print tally.scores + print('Score does not exist') + print(tally.scores) return # create numpy array for mean and 95% CI @@ -543,7 +543,7 @@ class StatePoint(object): # get bounds of filter bins for akey in tally.filters.keys(): - idx = tally.filters.keys().index(akey) + idx = list(tally.filters.keys()).index(akey) filtmax[n_filters - idx] = tally.filters[akey].length # compute bin info @@ -554,11 +554,11 @@ class StatePoint(object): np.prod(filtmax[0:i+2]))/(np.prod(filtmax[0:i+1]))) + 1 # append in dictionary bin with filter - data.update({tally.filters.keys()[n_filters - i - 1]: - filters[:,n_filters - i - 1]}) + data.update({list(tally.filters.keys())[n_filters - i - 1]: + filters[:,n_filters - i - 1]}) # check for mesh - if tally.filters.keys()[n_filters - i - 1] == 'mesh': + if list(tally.filters.keys())[n_filters - i - 1] == 'mesh': dims = list(self.meshes[tally.filters['mesh'].bins[0] - 1].dimension) dims.reverse() dims = np.asarray(dims) @@ -572,12 +572,12 @@ class StatePoint(object): np.prod(meshmax[0:3]))/(np.prod(meshmax[0:2]))) + 1 mesh_bins[:,0] = np.floor(((filters[:,n_filters - i - 1] - 1) % np.prod(meshmax[0:4]))/(np.prod(meshmax[0:3]))) + 1 - data.update({'mesh':zip(mesh_bins[:,0],mesh_bins[:,1], - mesh_bins[:,2])}) + data.update({'mesh': list(zip(mesh_bins[:,0], mesh_bins[:,1], + mesh_bins[:,2]))}) i += 1 # add in maximum bin filters and order - b = tally.filters.keys() + b = list(tally.filters.keys()) b.reverse() filtmax = list(filtmax[1:]) try: @@ -604,9 +604,9 @@ class StatePoint(object): def _get_long(self, n=1, path=None): if self._hdf5: - return [long(v) for v in self._f[path].value] + return [int(v) for v in self._f[path].value] else: - return [long(v) for v in self._get_data(n, 'q', 8)] + return [int(v) for v in self._get_data(n, 'q', 8)] def _get_float(self, n=1, path=None): if self._hdf5: diff --git a/src/utils/statepoint_3d.py b/src/utils/statepoint_3d.py index 904148cd35..d65ad31a87 100755 --- a/src/utils/statepoint_3d.py +++ b/src/utils/statepoint_3d.py @@ -1,6 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python -from __future__ import division +from __future__ import division, print_function import sys import itertools @@ -17,7 +17,7 @@ err = False def parse_options(): """Process command line arguments""" - + def tallies_callback(option, opt, value, parser): """Option parser function for list of tallies""" @@ -42,7 +42,7 @@ def parse_options(): except: p.print_help() err = True - + def filters_callback(option, opt, value, parser): """Option parser function for list of filters""" global err @@ -59,7 +59,7 @@ def parse_options(): except: p.print_help() err = True - + from optparse import OptionParser usage = r"""%prog [options] @@ -98,12 +98,12 @@ You can list the available tallies, scores, and filters with the -l option: p.add_option('-o', '--output', action='store', dest='output', default='tally', help='path to output SILO file.') p.add_option('-e', '--error', dest='valerr', default=False, - action='store_true', + action='store_true', help='Flag to extract errors instead of values.') p.add_option('-v', '--vtk', action='store_true', dest='vtk', default=False, help='Flag to convert to VTK instead of SILO.') parsed = p.parse_args() - + if not parsed[1]: p.print_help() return parsed, err @@ -118,35 +118,35 @@ You can list the available tallies, scores, and filters with the -l option: ################################################################################ def main(file_, o): """Main program""" - + sp = StatePoint(file_) sp.read_results() validate_options(sp, o) - + if o.list: print_available(sp) return - + if o.vtk: if not o.output[-4:] == ".vtm": o.output += ".vtm" else: if not o.output[-5:] == ".silo": o.output += ".silo" - + if o.vtk: try: import vtk except: - print 'The vtk python bindings do not appear to be installed properly.\n'+\ - 'On Ubuntu: sudo apt-get install python-vtk\n'+\ - 'See: http://www.vtk.org/' + print('The vtk python bindings do not appear to be installed properly.\n' + 'On Ubuntu: sudo apt-get install python-vtk\n' + 'See: http://www.vtk.org/') return else: try: import silomesh except: - print 'The silomesh package does not appear to be installed properly.\n'+\ - 'See: https://github.com/nhorelik/silomesh/' + print('The silomesh package does not appear to be installed properly.\n' + 'See: https://github.com/nhorelik/silomesh/') return if o.vtk: @@ -158,20 +158,20 @@ def main(file_, o): # Tally loop ################################################################# for tally in sp.tallies: - + # skip non-mesh tallies or non-user-specified tallies if o.tallies and not tally.id in o.tallies: continue if not 'mesh' in tally.filters: continue - - print "Processing Tally {}...".format(tally.id) - + + print("Processing Tally {}...".format(tally.id)) + # extract filter options and mesh parameters for this tally filtercombos = get_filter_combos(tally) meshparms = get_mesh_parms(sp, tally) nx,ny,nz = meshparms[:3] ll = meshparms[3:6] ur = meshparms[6:9] - + if o.vtk: ww = [(u-l)/n for u,l,n in zip(ur,ll,(nx,ny,nz))] grid = grid = vtk.vtkImageData() @@ -180,17 +180,17 @@ def main(file_, o): grid.SetSpacing(*ww) else: silomesh.init_mesh('Tally_{}'.format(tally.id), *meshparms) - + # Score loop ############################################################### for sid,score in enumerate(tally.scores): - + # skip non-user-specified scrores for this tally if o.scores and tally.id in o.scores and not sid in o.scores[tally.id]: continue - + # Filter loop ############################################################ for filterspec in filtercombos: - + # skip non-user-specified filter bins skip = False if o.filters and tally.id in o.filters: @@ -200,7 +200,7 @@ def main(file_, o): skip = True break if skip: continue - + # find and sanitize the variable name for this score varname = get_sanitized_filterspec_name(tally, score, filterspec) if o.vtk: @@ -209,9 +209,9 @@ def main(file_, o): dataforvtk = {} else: silomesh.init_var(varname) - + lbl = "\t Score {}.{} {}:\t\t{}".format(tally.id, sid+1, score, varname) - + # Mesh fill loop ####################################################### for x in range(1,nx+1): sys.stdout.write(lbl+" {0}%\r".format(int(x/nx*100))) @@ -226,27 +226,27 @@ def main(file_, o): dataforvtk[i] = float(val) else: silomesh.set_value(float(val), x, y, z) - + # end mesh fill loop - print + print() if o.vtk: for i in range(nx*ny*nz): vtkdata.InsertNextValue(dataforvtk[i]) grid.GetCellData().AddArray(vtkdata) del vtkdata - + else: silomesh.finalize_var() - + # end filter loop - + # end score loop if o.vtk: blocks.SetBlock(block_idx, grid) block_idx += 1 else: silomesh.finalize_mesh() - + # end tally loop if o.vtk: writer = vtk.vtkXMLMultiBlockDataWriter() @@ -259,7 +259,7 @@ def main(file_, o): ################################################################################ def get_sanitized_filterspec_name(tally, score, filterspec): """Returns a name fit for silo vars for a given filterspec, tally and score""" - + comboname = "_"+" ".join(["{}_{}".format(filter_, bin) for filter_, bin in filterspec[1:]]) if len(filterspec[1:]) == 0: comboname = '' @@ -274,16 +274,16 @@ def get_filter_combos(tally): Each combo has the mesh spec as the first element, to be set later. These filter specs correspond with the second argument to StatePoint.get_value """ - + specs = [] if len(tally.filters) == 1: return [[['mesh', [1, 1, 1]]]] - - filters = tally.filters.keys() + + filters = list(tally.filters.keys()) filters.pop(filters.index('mesh')) nbins = [tally.filters[f].length for f in filters] - + combos = [ [b] for b in range(nbins[0])] for i,b in enumerate(nbins[1:]): prod = list(itertools.product(combos, range(b))) @@ -311,25 +311,25 @@ def get_mesh_parms(sp, tally): ################################################################################ def print_available(sp): """Prints available tallies/scores in a statepoint""" - - print "Available tally and score indices:" + + print("Available tally and score indices:") for tally in sp.tallies: mesh = "" if not 'mesh' in tally.filters: mesh = "(no mesh)" - print "\tTally {} {}".format(tally.id, mesh) - scores = ["{}.{}: {}".format(tally.id, sid, score) + print("\tTally {} {}".format(tally.id, mesh)) + scores = ["{}.{}: {}".format(tally.id, sid, score) for sid, score in enumerate(tally.scores)] for score in scores: - print "\t\tScore {}".format(score) + print("\t\tScore {}".format(score)) for filter_ in tally.filters: if filter_ == 'mesh': continue for bin in range(tally.filters[filter_].length): - print "\t\t\tFilters: {}.{}.{}".format(tally.id, filter_, bin) + print("\t\t\tFilters: {}.{}.{}".format(tally.id, filter_, bin)) ################################################################################ def validate_options(sp,o): """Validates specified tally/score options for the current statepoint""" - + available_tallies = [t.id for t in sp.tallies] if o.tallies: for otally in o.tallies: @@ -345,7 +345,7 @@ def validate_options(sp,o): for oscore in o.scores[otally]: if oscore > len(tally.scores): warnings.warn('No score {} in tally {}'.format(oscore, otally)) - + if o.scores: for otally in o.scores.keys(): if not otally in available_tallies: @@ -355,7 +355,7 @@ def validate_options(sp,o): warnings.warn( 'Skipping scores for tally {}, excluded by tally list'.format(otally)) continue - + if o.filters: for otally in o.filters.keys(): if not otally in available_tallies: @@ -380,7 +380,7 @@ def validate_options(sp,o): warnings.warn( 'No bin {} in tally {} filter {}'.format(bin, otally, filter_)) -################################################################################ +################################################################################ # monkeypatch to suppress the source echo produced by warnings def formatwarning(message, category, filename, lineno, line): return "{}:{}: {}: {}\n".format(filename, lineno, category.__name__, message) diff --git a/src/utils/statepoint_cmp.py b/src/utils/statepoint_cmp.py index d1108a7bd5..0e3d8a94f6 100755 --- a/src/utils/statepoint_cmp.py +++ b/src/utils/statepoint_cmp.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python import sys diff --git a/src/utils/statepoint_meshplot.py b/src/utils/statepoint_meshplot.py index 23ed910e70..d62d9337d9 100755 --- a/src/utils/statepoint_meshplot.py +++ b/src/utils/statepoint_meshplot.py @@ -1,4 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python + +from __future__ import print_function from sys import argv from math import sqrt diff --git a/src/utils/voxel.py b/src/utils/voxel.py index 89041f8027..1d79484120 100755 --- a/src/utils/voxel.py +++ b/src/utils/voxel.py @@ -1,6 +1,6 @@ -#!/usr/bin/env python2 +#!/usr/bin/env python -from __future__ import division +from __future__ import division, print_function import struct import sys @@ -25,7 +25,7 @@ def parse_options(): ################################################################################ def main(file_, o): - print file_ + print(file_) fh = open(file_,'rb') header = get_header(fh) meshparms = header['dimension'] + header['lower_left'] + header['upper_right'] @@ -36,18 +36,18 @@ def main(file_, o): try: import vtk except: - print 'The vtk python bindings do not appear to be installed properly.\n'+\ - 'On Ubuntu: sudo apt-get install python-vtk\n'+\ - 'See: http://www.vtk.org/' + print('The vtk python bindings do not appear to be installed properly.\n' + 'On Ubuntu: sudo apt-get install python-vtk\n' + 'See: http://www.vtk.org/') return - + origin = [(l+w*n/2.) for n,l,w in zip((nx,ny,nz),ll,header['width'])] - + grid = vtk.vtkImageData() grid.SetDimensions(nx+1,ny+1,nz+1) grid.SetOrigin(*ll) grid.SetSpacing(*header['width']) - + data = vtk.vtkDoubleArray() data.SetName("id") data.SetNumberOfTuples(nx*ny*nz) @@ -60,7 +60,7 @@ def main(file_, o): id_ = get_int(fh)[0] data.SetValue(i, id_) grid.GetCellData().AddArray(data) - + writer = vtk.vtkXMLImageDataWriter() writer.SetInput(grid) if not o.output[-4:] == ".vti": o.output += ".vti" @@ -72,8 +72,8 @@ def main(file_, o): try: import silomesh except: - print 'The silomesh package does not appear to be installed properly.\n'+\ - 'See: https://github.com/nhorelik/silomesh/' + print('The silomesh package does not appear to be installed properly.\n' + 'See: https://github.com/nhorelik/silomesh/') return if not o.output[-5:] == ".silo": o.output += ".silo" silomesh.init_silo(o.output) @@ -86,10 +86,10 @@ def main(file_, o): for z in range(1,nz+1): id_ = get_int(fh)[0] silomesh.set_value(float(id_), x, y, z) - print + print() silomesh.finalize_var() silomesh.finalize_mesh() - silomesh.finalize_silo() + silomesh.finalize_silo() ################################################################################ def get_header(file_): From de84c5d61098bfeda043cbaf85c27edc1beb20ce Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 5 Aug 2014 22:07:12 -0400 Subject: [PATCH 071/187] Removed build_dependencies.py since CMake determines dependencies. --- src/utils/build_dependencies.py | 26 -------------------------- 1 file changed, 26 deletions(-) delete mode 100755 src/utils/build_dependencies.py diff --git a/src/utils/build_dependencies.py b/src/utils/build_dependencies.py deleted file mode 100755 index 7aab269da4..0000000000 --- a/src/utils/build_dependencies.py +++ /dev/null @@ -1,26 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function - -import glob -import re - -dependencies = {} - -for src in glob.iglob('*.F90'): - module = src.strip('.F90') - deps = set() - d = re.findall(r'\n\s*use\s+(\w+)', - open(src, 'r').read()) - for name in d: - if name in ['mpi', 'hdf5', 'h5lt', 'petscsys', 'petscmat', 'petscksp', - 'petscsnes', 'petscvec', 'omp_lib', 'fox_dom']: - continue - deps.add(name) - if deps: - dependencies[module] = sorted(list(deps)) - -for module in sorted(dependencies.keys()): - for dep in dependencies[module]: - print("{0}.o: {1}.o".format(module, dep)) - print('') From b5c14deeda2c065930368d20ddd9aa7e3b9e3a07 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 5 Aug 2014 22:07:34 -0400 Subject: [PATCH 072/187] Removed split_nuclide.py since there is full support for specifying natural elements in a material. --- src/utils/abundances.txt | 291 ------------------------------ src/utils/abundances_modified.txt | 286 ----------------------------- src/utils/split_nuclide.py | 17 -- 3 files changed, 594 deletions(-) delete mode 100644 src/utils/abundances.txt delete mode 100644 src/utils/abundances_modified.txt delete mode 100755 src/utils/split_nuclide.py diff --git a/src/utils/abundances.txt b/src/utils/abundances.txt deleted file mode 100644 index c3d066a18f..0000000000 --- a/src/utils/abundances.txt +++ /dev/null @@ -1,291 +0,0 @@ -# IUPAC Isotopic Compositions of the Element 2009 -# Pure. Appl. Chem., Vol 83, No. 2, pp. 397-410 (2011) -# doi:10.1351/PAC-REP-10-06-02 -1 H 1 0.999885 -1 H 2 0.000115 -2 He 3 1.34e-06 -2 He 4 0.99999866 -3 Li 6 0.0759 -3 Li 7 0.9241 -4 Be 9 1.0 -5 B 10 0.199 -5 B 11 0.801 -6 C 12 0.9893 -6 C 13 0.0107 -7 N 14 0.99636 -7 N 15 0.00364 -8 O 16 0.99757 -8 O 17 0.00038 -8 O 18 0.00205 -9 F 19 1.0 -10 Ne 20 0.9048 -10 Ne 21 0.0027 -10 Ne 22 0.0925 -11 Na 23 1.0 -12 Mg 24 0.7899 -12 Mg 25 0.1 -12 Mg 26 0.1101 -13 Al 27 1.0 -14 Si 28 0.92223 -14 Si 29 0.04685 -14 Si 30 0.03092 -15 P 31 1.0 -16 S 32 0.9499 -16 S 33 0.0075 -16 S 34 0.0425 -16 S 36 0.0001 -17 Cl 35 0.7576 -17 Cl 37 0.2424 -18 Ar 36 0.003336 -18 Ar 38 0.000629 -18 Ar 40 0.996035 -19 K 39 0.932581 -19 K 40 0.000117 -19 K 41 0.067302 -20 Ca 40 0.96941 -20 Ca 42 0.00647 -20 Ca 43 0.00135 -20 Ca 44 0.02086 -20 Ca 46 4e-05 -20 Ca 48 0.00187 -21 Sc 45 1.0 -22 Ti 46 0.0825 -22 Ti 47 0.0744 -22 Ti 48 0.7372 -22 Ti 49 0.0541 -22 Ti 50 0.0518 -23 V 50 0.0025 -23 V 51 0.9975 -24 Cr 50 0.04345 -24 Cr 52 0.83789 -24 Cr 53 0.09501 -24 Cr 54 0.02365 -25 Mn 55 1.0 -26 Fe 54 0.05845 -26 Fe 56 0.91754 -26 Fe 57 0.02119 -26 Fe 58 0.00282 -27 Co 59 1.0 -28 Ni 58 0.68077 -28 Ni 60 0.26223 -28 Ni 61 0.011399 -28 Ni 62 0.036346 -28 Ni 64 0.009255 -29 Cu 63 0.6915 -29 Cu 65 0.3085 -30 Zn 64 0.4917 -30 Zn 66 0.2773 -30 Zn 67 0.0404 -30 Zn 68 0.1845 -30 Zn 70 0.0061 -31 Ga 69 0.60108 -31 Ga 71 0.39892 -32 Ge 70 0.2057 -32 Ge 72 0.2745 -32 Ge 73 0.0775 -32 Ge 74 0.3650 -32 Ge 76 0.0773 -33 As 75 1.0 -34 Se 74 0.0089 -34 Se 76 0.0937 -34 Se 77 0.0763 -34 Se 78 0.2377 -34 Se 80 0.4961 -34 Se 82 0.0873 -35 Br 79 0.5069 -35 Br 81 0.4931 -36 Kr 78 0.00355 -36 Kr 80 0.02286 -36 Kr 82 0.11593 -36 Kr 83 0.11500 -36 Kr 84 0.56987 -36 Kr 86 0.17279 -37 Rb 85 0.7217 -37 Rb 87 0.2783 -38 Sr 84 0.0056 -38 Sr 86 0.0986 -38 Sr 87 0.07 -38 Sr 88 0.8258 -39 Y 89 1.0 -40 Zr 90 0.5145 -40 Zr 91 0.1122 -40 Zr 92 0.1715 -40 Zr 94 0.1738 -40 Zr 96 0.028 -41 Nb 93 1.0 -42 Mo 92 0.1453 -42 Mo 94 0.0915 -42 Mo 95 0.1584 -42 Mo 96 0.1667 -42 Mo 97 0.0960 -42 Mo 98 0.2439 -42 Mo 100 0.0982 -44 Ru 96 0.0554 -44 Ru 98 0.0187 -44 Ru 99 0.1276 -44 Ru 100 0.126 -44 Ru 101 0.1706 -44 Ru 102 0.3155 -44 Ru 104 0.1862 -45 Rh 103 1.0 -46 Pd 102 0.0102 -46 Pd 104 0.1114 -46 Pd 105 0.2233 -46 Pd 106 0.2733 -46 Pd 108 0.2646 -46 Pd 110 0.1172 -47 Ag 107 0.51839 -47 Ag 109 0.48161 -48 Cd 106 0.0125 -48 Cd 108 0.0089 -48 Cd 110 0.1249 -48 Cd 111 0.128 -48 Cd 112 0.2413 -48 Cd 113 0.1222 -48 Cd 114 0.2873 -48 Cd 116 0.0749 -49 In 113 0.0429 -49 In 115 0.9571 -50 Sn 112 0.0097 -50 Sn 114 0.0066 -50 Sn 115 0.0034 -50 Sn 116 0.1454 -50 Sn 117 0.0768 -50 Sn 118 0.2422 -50 Sn 119 0.0859 -50 Sn 120 0.3258 -50 Sn 122 0.0463 -50 Sn 124 0.0579 -51 Sb 121 0.5721 -51 Sb 123 0.4279 -52 Te 120 0.0009 -52 Te 122 0.0255 -52 Te 123 0.0089 -52 Te 124 0.0474 -52 Te 125 0.0707 -52 Te 126 0.1884 -52 Te 128 0.3174 -52 Te 130 0.3408 -53 I 127 1.0 -54 Xe 124 0.000952 -54 Xe 126 0.000890 -54 Xe 128 0.019102 -54 Xe 129 0.264006 -54 Xe 130 0.040710 -54 Xe 131 0.212324 -54 Xe 132 0.269086 -54 Xe 134 0.104357 -54 Xe 136 0.088573 -55 Cs 133 1.0 -56 Ba 130 0.00106 -56 Ba 132 0.00101 -56 Ba 134 0.02417 -56 Ba 135 0.06592 -56 Ba 136 0.07854 -56 Ba 137 0.11232 -56 Ba 138 0.71698 -57 La 138 0.0008881 -57 La 139 0.9991119 -58 Ce 136 0.00185 -58 Ce 138 0.00251 -58 Ce 140 0.8845 -58 Ce 142 0.11114 -59 Pr 141 1.0 -60 Nd 142 0.27152 -60 Nd 143 0.12174 -60 Nd 144 0.23798 -60 Nd 145 0.08293 -60 Nd 146 0.17189 -60 Nd 148 0.05756 -60 Nd 150 0.05638 -62 Sm 144 0.0307 -62 Sm 147 0.1499 -62 Sm 148 0.1124 -62 Sm 149 0.1382 -62 Sm 150 0.0738 -62 Sm 152 0.2675 -62 Sm 154 0.2275 -63 Eu 151 0.4781 -63 Eu 153 0.5219 -64 Gd 152 0.002 -64 Gd 154 0.0218 -64 Gd 155 0.148 -64 Gd 156 0.2047 -64 Gd 157 0.1565 -64 Gd 158 0.2484 -64 Gd 160 0.2186 -65 Tb 159 1.0 -66 Dy 156 0.00056 -66 Dy 158 0.00095 -66 Dy 160 0.02329 -66 Dy 161 0.18889 -66 Dy 162 0.25475 -66 Dy 163 0.24896 -66 Dy 164 0.28260 -67 Ho 165 1.0 -68 Er 162 0.00139 -68 Er 164 0.01601 -68 Er 166 0.33503 -68 Er 167 0.22869 -68 Er 168 0.26978 -68 Er 170 0.14910 -69 Tm 169 1.0 -70 Yb 168 0.00123 -70 Yb 170 0.02982 -70 Yb 171 0.1409 -70 Yb 172 0.2168 -70 Yb 173 0.16103 -70 Yb 174 0.32026 -70 Yb 176 0.12996 -71 Lu 175 0.97401 -71 Lu 176 0.02599 -72 Hf 174 0.0016 -72 Hf 176 0.0526 -72 Hf 177 0.186 -72 Hf 178 0.2728 -72 Hf 179 0.1362 -72 Hf 180 0.3508 -73 Ta 180 0.0001201 -73 Ta 181 0.9998799 -74 W 180 0.0012 -74 W 182 0.265 -74 W 183 0.1431 -74 W 184 0.3064 -74 W 186 0.2843 -75 Re 185 0.374 -75 Re 187 0.626 -76 Os 184 0.0002 -76 Os 186 0.0159 -76 Os 187 0.0196 -76 Os 188 0.1324 -76 Os 189 0.1615 -76 Os 190 0.2626 -76 Os 192 0.4078 -77 Ir 191 0.373 -77 Ir 193 0.627 -78 Pt 190 0.00012 -78 Pt 192 0.00782 -78 Pt 194 0.3286 -78 Pt 195 0.3378 -78 Pt 196 0.2521 -78 Pt 198 0.07356 -79 Au 197 1.0 -80 Hg 196 0.0015 -80 Hg 198 0.0997 -80 Hg 199 0.1687 -80 Hg 200 0.231 -80 Hg 201 0.1318 -80 Hg 202 0.2986 -80 Hg 204 0.0687 -81 Tl 203 0.2952 -81 Tl 205 0.7048 -82 Pb 204 0.014 -82 Pb 206 0.241 -82 Pb 207 0.221 -82 Pb 208 0.524 -83 Bi 209 1.0 -90 Th 232 1.0 -91 Pa 231 1.0 -92 U 234 5.4e-05 -92 U 235 0.007204 -92 U 238 0.992742 diff --git a/src/utils/abundances_modified.txt b/src/utils/abundances_modified.txt deleted file mode 100644 index 3fb611a02b..0000000000 --- a/src/utils/abundances_modified.txt +++ /dev/null @@ -1,286 +0,0 @@ -# IUPAC Isotopic Compositions of the Element 2009 -# Pure. Appl. Chem., Vol 83, No. 2, pp. 397-410 (2011) -# doi:10.1351/PAC-REP-10-06-02 -# Modified to use only nuclides which exist in ENDF/B-VII.1 -1 H 1 0.999885 -1 H 2 0.000115 -2 He 3 1.34e-06 -2 He 4 0.99999866 -3 Li 6 0.0759 -3 Li 7 0.9241 -4 Be 9 1.0 -5 B 10 0.199 -5 B 11 0.801 -6 C Nat 1.0 -7 N 14 0.99636 -7 N 15 0.00364 -8 O 16 0.99757 -8 O 17 0.00038 -8 O 18 0.00205 -9 F 19 1.0 -10 Ne 20 0.9048 -10 Ne 21 0.0027 -10 Ne 22 0.0925 -11 Na 23 1.0 -12 Mg 24 0.7899 -12 Mg 25 0.1 -12 Mg 26 0.1101 -13 Al 27 1.0 -14 Si 28 0.92223 -14 Si 29 0.04685 -14 Si 30 0.03092 -15 P 31 1.0 -16 S 32 0.9499 -16 S 33 0.0075 -16 S 34 0.0425 -16 S 36 0.0001 -17 Cl 35 0.7576 -17 Cl 37 0.2424 -18 Ar 36 0.003336 -18 Ar 38 0.000629 -18 Ar 40 0.996035 -19 K 39 0.932581 -19 K 40 0.000117 -19 K 41 0.067302 -20 Ca 40 0.96941 -20 Ca 42 0.00647 -20 Ca 43 0.00135 -20 Ca 44 0.02086 -20 Ca 46 4e-05 -20 Ca 48 0.00187 -21 Sc 45 1.0 -22 Ti 46 0.0825 -22 Ti 47 0.0744 -22 Ti 48 0.7372 -22 Ti 49 0.0541 -22 Ti 50 0.0518 -23 V Nat 1.0 -24 Cr 50 0.04345 -24 Cr 52 0.83789 -24 Cr 53 0.09501 -24 Cr 54 0.02365 -25 Mn 55 1.0 -26 Fe 54 0.05845 -26 Fe 56 0.91754 -26 Fe 57 0.02119 -26 Fe 58 0.00282 -27 Co 59 1.0 -28 Ni 58 0.68077 -28 Ni 60 0.26223 -28 Ni 61 0.011399 -28 Ni 62 0.036346 -28 Ni 64 0.009255 -29 Cu 63 0.6915 -29 Cu 65 0.3085 -30 Zn Nat 1.0 -31 Ga 69 0.60108 -31 Ga 71 0.39892 -32 Ge 70 0.2057 -32 Ge 72 0.2745 -32 Ge 73 0.0775 -32 Ge 74 0.3650 -32 Ge 76 0.0773 -33 As 75 1.0 -34 Se 74 0.0089 -34 Se 76 0.0937 -34 Se 77 0.0763 -34 Se 78 0.2377 -34 Se 80 0.4961 -34 Se 82 0.0873 -35 Br 79 0.5069 -35 Br 81 0.4931 -36 Kr 78 0.00355 -36 Kr 80 0.02286 -36 Kr 82 0.11593 -36 Kr 83 0.11500 -36 Kr 84 0.56987 -36 Kr 86 0.17279 -37 Rb 85 0.7217 -37 Rb 87 0.2783 -38 Sr 84 0.0056 -38 Sr 86 0.0986 -38 Sr 87 0.07 -38 Sr 88 0.8258 -39 Y 89 1.0 -40 Zr 90 0.5145 -40 Zr 91 0.1122 -40 Zr 92 0.1715 -40 Zr 94 0.1738 -40 Zr 96 0.028 -41 Nb 93 1.0 -42 Mo 92 0.1453 -42 Mo 94 0.0915 -42 Mo 95 0.1584 -42 Mo 96 0.1667 -42 Mo 97 0.0960 -42 Mo 98 0.2439 -42 Mo 100 0.0982 -44 Ru 96 0.0554 -44 Ru 98 0.0187 -44 Ru 99 0.1276 -44 Ru 100 0.126 -44 Ru 101 0.1706 -44 Ru 102 0.3155 -44 Ru 104 0.1862 -45 Rh 103 1.0 -46 Pd 102 0.0102 -46 Pd 104 0.1114 -46 Pd 105 0.2233 -46 Pd 106 0.2733 -46 Pd 108 0.2646 -46 Pd 110 0.1172 -47 Ag 107 0.51839 -47 Ag 109 0.48161 -48 Cd 106 0.0125 -48 Cd 108 0.0089 -48 Cd 110 0.1249 -48 Cd 111 0.128 -48 Cd 112 0.2413 -48 Cd 113 0.1222 -48 Cd 114 0.2873 -48 Cd 116 0.0749 -49 In 113 0.0429 -49 In 115 0.9571 -50 Sn 112 0.0097 -50 Sn 114 0.0066 -50 Sn 115 0.0034 -50 Sn 116 0.1454 -50 Sn 117 0.0768 -50 Sn 118 0.2422 -50 Sn 119 0.0859 -50 Sn 120 0.3258 -50 Sn 122 0.0463 -50 Sn 124 0.0579 -51 Sb 121 0.5721 -51 Sb 123 0.4279 -52 Te 120 0.0009 -52 Te 122 0.0255 -52 Te 123 0.0089 -52 Te 124 0.0474 -52 Te 125 0.0707 -52 Te 126 0.1884 -52 Te 128 0.3174 -52 Te 130 0.3408 -53 I 127 1.0 -54 Xe 124 0.000952 -54 Xe 126 0.000890 -54 Xe 128 0.019102 -54 Xe 129 0.264006 -54 Xe 130 0.040710 -54 Xe 131 0.212324 -54 Xe 132 0.269086 -54 Xe 134 0.104357 -54 Xe 136 0.088573 -55 Cs 133 1.0 -56 Ba 130 0.00106 -56 Ba 132 0.00101 -56 Ba 134 0.02417 -56 Ba 135 0.06592 -56 Ba 136 0.07854 -56 Ba 137 0.11232 -56 Ba 138 0.71698 -57 La 138 0.0008881 -57 La 139 0.9991119 -58 Ce 136 0.00185 -58 Ce 138 0.00251 -58 Ce 140 0.8845 -58 Ce 142 0.11114 -59 Pr 141 1.0 -60 Nd 142 0.27152 -60 Nd 143 0.12174 -60 Nd 144 0.23798 -60 Nd 145 0.08293 -60 Nd 146 0.17189 -60 Nd 148 0.05756 -60 Nd 150 0.05638 -62 Sm 144 0.0307 -62 Sm 147 0.1499 -62 Sm 148 0.1124 -62 Sm 149 0.1382 -62 Sm 150 0.0738 -62 Sm 152 0.2675 -62 Sm 154 0.2275 -63 Eu 151 0.4781 -63 Eu 153 0.5219 -64 Gd 152 0.002 -64 Gd 154 0.0218 -64 Gd 155 0.148 -64 Gd 156 0.2047 -64 Gd 157 0.1565 -64 Gd 158 0.2484 -64 Gd 160 0.2186 -65 Tb 159 1.0 -66 Dy 156 0.00056 -66 Dy 158 0.00095 -66 Dy 160 0.02329 -66 Dy 161 0.18889 -66 Dy 162 0.25475 -66 Dy 163 0.24896 -66 Dy 164 0.28260 -67 Ho 165 1.0 -68 Er 162 0.00139 -68 Er 164 0.01601 -68 Er 166 0.33503 -68 Er 167 0.22869 -68 Er 168 0.26978 -68 Er 170 0.14910 -69 Tm 169 1.0 -70 Yb 168 0.00123 -70 Yb 170 0.02982 -70 Yb 171 0.1409 -70 Yb 172 0.2168 -70 Yb 173 0.16103 -70 Yb 174 0.32026 -70 Yb 176 0.12996 -71 Lu 175 0.97401 -71 Lu 176 0.02599 -72 Hf 174 0.0016 -72 Hf 176 0.0526 -72 Hf 177 0.186 -72 Hf 178 0.2728 -72 Hf 179 0.1362 -72 Hf 180 0.3508 -73 Ta 180 0.0001201 -73 Ta 181 0.9998799 -74 W 180 0.0012 -74 W 182 0.265 -74 W 183 0.1431 -74 W 184 0.3064 -74 W 186 0.2843 -75 Re 185 0.374 -75 Re 187 0.626 -76 Os 184 0.0002 -76 Os 186 0.0159 -76 Os 187 0.0196 -76 Os 188 0.1324 -76 Os 189 0.1615 -76 Os 190 0.2626 -76 Os 192 0.4078 -77 Ir 191 0.373 -77 Ir 193 0.627 -78 Pt 190 0.00012 -78 Pt 192 0.00782 -78 Pt 194 0.3286 -78 Pt 195 0.3378 -78 Pt 196 0.2521 -78 Pt 198 0.07356 -79 Au 197 1.0 -80 Hg 196 0.0015 -80 Hg 198 0.0997 -80 Hg 199 0.1687 -80 Hg 200 0.231 -80 Hg 201 0.1318 -80 Hg 202 0.2986 -80 Hg 204 0.0687 -81 Tl 203 0.2952 -81 Tl 205 0.7048 -82 Pb 204 0.014 -82 Pb 206 0.241 -82 Pb 207 0.221 -82 Pb 208 0.524 -83 Bi 209 1.0 -90 Th 232 1.0 -91 Pa 231 1.0 -92 U 234 5.4e-05 -92 U 235 0.007204 -92 U 238 0.992742 diff --git a/src/utils/split_nuclide.py b/src/utils/split_nuclide.py deleted file mode 100755 index d91cf9b777..0000000000 --- a/src/utils/split_nuclide.py +++ /dev/null @@ -1,17 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function -import sys - -if len(sys.argv) != 3: - print("Must supply element and atom/b-cm") - sys.exit(1) - -element = sys.argv[1] -ao = float(sys.argv[2]) - -for line in open('abundances_modified.txt', 'r'): - words = line.split() - if words[1] == element: - print(''.format( - element, words[2], float(words[3])*ao)) From 7c0557c321d424dc61772898cf08ec924883b564 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 5 Aug 2014 22:59:24 -0400 Subject: [PATCH 073/187] Make run_tests.py script Python3 compatible. --- tests/run_tests.py | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/tests/run_tests.py b/tests/run_tests.py index 12e6632cee..cad3731e2a 100755 --- a/tests/run_tests.py +++ b/tests/run_tests.py @@ -8,7 +8,7 @@ import shutil import re import glob import socket -from subprocess import call +from subprocess import call from collections import OrderedDict from optparse import OptionParser @@ -25,7 +25,7 @@ parser.add_option('-C', '--build-config', dest='build_config', Specific build configurations can be printed out with \ optional argument -p, --print. This uses standard \ regex syntax to select build configurations.") -parser.add_option('-l', '--list', action="store_true", +parser.add_option('-l', '--list', action="store_true", dest="list_build_configs", default=False, help="List out build configurations.") parser.add_option("-p", "--project", dest="project", default="", @@ -117,7 +117,7 @@ class Test(object): self.success = True self.msg = None self.skipped = False - self.valgrind_cmd = "" + self.valgrind_cmd = "" self.gcov_cmd = "" self.cmake = ['cmake', '-H../src', '-Bbuild'] @@ -263,7 +263,7 @@ class Test(object): # Simple function to add a test to the global tests dictionary def add_test(name, debug=False, optimize=False, mpi=False, openmp=False,\ hdf5=False, petsc=False, valgrind=False, coverage=False): - tests.update({name:Test(name, debug, optimize, mpi, openmp, hdf5, petsc, + tests.update({name:Test(name, debug, optimize, mpi, openmp, hdf5, petsc, valgrind, coverage)}) # List of all tests that may be run. User can add -C to command line to specify @@ -330,7 +330,7 @@ if options.build_config is not None: del tests[key] # Check for dashboard and determine whether to push results to server -# Note that there are only 3 basic dashboards: +# Note that there are only 3 basic dashboards: # Experimental, Nightly, Continuous. On the CDash end, these can be # reorganized into groups when a hostname, dashboard and build name # are matched. @@ -349,7 +349,7 @@ else: update = '' # Check for CTest scipts mode -# Sets up whether we should use just the basic ctest command or use +# Sets up whether we should use just the basic ctest command or use # CTest scripting to perform tests. if not options.dash is None or options.script: script_mode = True @@ -394,7 +394,7 @@ if not script_mode: del tests[key] # Check if tests empty -if len(tests.keys()) == 0: +if len(list(tests.keys())) == 0: print('No tests to run.') exit() @@ -416,7 +416,7 @@ for key in iter(tests): if not test.success: continue - # Get valgrind command + # Get valgrind command if test.valgrind: test.find_valgrind() if not test.success: @@ -427,7 +427,7 @@ for key in iter(tests): test.find_coverage() if not test.success: continue - + # Set test specific CTest script vars. Not used in non-script mode ctest_vars.update({'build_name' : test.get_build_name()}) ctest_vars.update({'build_opts' : test.get_build_opts()}) From f1fc8c7f5e19dc0777706de465cd722e95143f59 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Wed, 6 Aug 2014 10:56:52 +0200 Subject: [PATCH 074/187] Use different stream for source sampling This commit makes it easier for eigenvalue and fixed source runs to use the same seeds when sampling sources. --- src/constants.F90 | 8 ++++++++ src/fixed_source.F90 | 7 ------- src/global.F90 | 2 ++ src/particle_restart.F90 | 2 +- src/random_lcg.F90 | 7 ++----- src/source.F90 | 8 +++++++- 6 files changed, 20 insertions(+), 14 deletions(-) diff --git a/src/constants.F90 b/src/constants.F90 index 94edd9d2a2..f83f7bd2c1 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -348,6 +348,14 @@ module constants K_TRACKLENGTH = 3, & LEAKAGE = 4 + ! ============================================================================ + ! RANDOM NUMBER STREAM CONSTANTS + + integer, parameter :: N_STREAMS = 3 + integer, parameter :: STREAM_TRACKING = 1 + integer, parameter :: STREAM_TALLIES = 2 + integer, parameter :: STREAM_SOURCE = 3 + ! ============================================================================ ! EXTERNAL SOURCE PARAMETERS diff --git a/src/fixed_source.F90 b/src/fixed_source.F90 index bb26d671fe..11290db538 100644 --- a/src/fixed_source.F90 +++ b/src/fixed_source.F90 @@ -11,8 +11,6 @@ module fixed_source use tally, only: synchronize_tallies, setup_active_usertallies use tracking, only: transport -!$omp threadprivate(source_site) - contains subroutine run_fixedsource() @@ -68,11 +66,6 @@ contains ! grab source particle from bank call sample_source_particle(p) - ! Reset random number seed (it was changed during source sampling and - ! it should be set before transport is called to make it consistent - ! with eigenvalue and particle_restart). - call set_particle_seed(p % id) - ! transport particle call transport(p) diff --git a/src/global.F90 b/src/global.F90 index 1f4fba2c50..41052afe4c 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -258,6 +258,8 @@ module global ! Fixed source particle bank type(Bank), pointer :: source_site => null() +!$omp threadprivate(source_site) + ! Restart run logical :: restart_run = .false. diff --git a/src/particle_restart.F90 b/src/particle_restart.F90 index e1480e141c..db2490dd2a 100644 --- a/src/particle_restart.F90 +++ b/src/particle_restart.F90 @@ -9,7 +9,7 @@ module particle_restart use output, only: write_message, print_particle use output_interface, only: BinaryOutput use particle_header, only: Particle - use random_lcg, only: set_particle_seed, prn + use random_lcg, only: set_particle_seed use tracking, only: transport implicit none diff --git a/src/random_lcg.F90 b/src/random_lcg.F90 index e3a9885af1..a29d1aa9a0 100644 --- a/src/random_lcg.F90 +++ b/src/random_lcg.F90 @@ -1,15 +1,12 @@ module random_lcg + use constants + implicit none private save - ! Random number streams - integer, parameter :: N_STREAMS = 2 - integer, parameter :: STREAM_TRACKING = 1 - integer, parameter :: STREAM_TALLIES = 2 - integer(8) :: prn_seed0 ! original seed integer(8) :: prn_seed(N_STREAMS) ! current seed integer(8) :: prn_mult ! multiplication factor, g diff --git a/src/source.F90 b/src/source.F90 index 79bc49fd57..9dcfd01445 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -10,7 +10,7 @@ module source use output, only: write_message use output_interface, only: BinaryOutput use particle_header, only: Particle - use random_lcg, only: prn, set_particle_seed + use random_lcg, only: prn, set_particle_seed, prn_set_stream use string, only: to_str #ifdef MPI @@ -101,6 +101,9 @@ contains ! Set weight to one by default site % wgt = ONE + ! Set the random number generator to the source stream. + call prn_set_stream(STREAM_SOURCE) + ! Sample position select case (external_source % type_space) case (SRC_SPACE_BOX) @@ -189,6 +192,9 @@ contains call fatal_error() end select + ! Set the random number generator back to the tracking stream. + call prn_set_stream(STREAM_TRACKING) + end subroutine sample_external_source !=============================================================================== From 9ab2b0d8607714e0782e2a8798d021e98a1d6b03 Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Wed, 6 Aug 2014 15:20:22 +0200 Subject: [PATCH 075/187] Added test for particle restart with fixed source --- src/CMakeLists.txt | 12 ++-- .../geometry.xml | 0 .../materials.xml | 0 .../results.py | 0 .../results_true.dat | 0 .../settings.xml | 0 .../test_part_restart_eigval.py} | 0 tests/test_part_restart_fixed/geometry.xml | 9 +++ tests/test_part_restart_fixed/materials.xml | 9 +++ tests/test_part_restart_fixed/results.py | 38 +++++++++++ .../test_part_restart_fixed/results_true.dat | 16 +++++ tests/test_part_restart_fixed/settings.xml | 15 ++++ .../test_part_restart_fixed.py | 68 +++++++++++++++++++ 13 files changed, 163 insertions(+), 4 deletions(-) rename tests/{test_particle_restart => test_part_restart_eigval}/geometry.xml (100%) rename tests/{test_particle_restart => test_part_restart_eigval}/materials.xml (100%) rename tests/{test_particle_restart => test_part_restart_eigval}/results.py (100%) rename tests/{test_particle_restart => test_part_restart_eigval}/results_true.dat (100%) rename tests/{test_particle_restart => test_part_restart_eigval}/settings.xml (100%) rename tests/{test_particle_restart/test_particle_restart.py => test_part_restart_eigval/test_part_restart_eigval.py} (100%) create mode 100644 tests/test_part_restart_fixed/geometry.xml create mode 100644 tests/test_part_restart_fixed/materials.xml create mode 100644 tests/test_part_restart_fixed/results.py create mode 100644 tests/test_part_restart_fixed/results_true.dat create mode 100644 tests/test_part_restart_fixed/settings.xml create mode 100644 tests/test_part_restart_fixed/test_part_restart_fixed.py diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index ee5f882b7e..9ce433731f 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -345,8 +345,10 @@ foreach(test ${TESTS}) set(RESTART_FILE statepoint.7.h5) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.7.h5 source.7.h5) - elseif(${test} MATCHES "test_particle_restart") - set(RESTART_FILE particle_12_192.h5) + elseif(${test} MATCHES "test_part_restart_eigval") + set(RESTART_FILE particle_12_842.h5) + elseif(${test} MATCHES "test_part_restart_fixed") + set(RESTART_FILE particle_7_6144.h5) else(${test} MATCHES "test_statepoint_restart") message(FATAL_ERROR "Restart test ${test} not recognized") endif(${test} MATCHES "test_statepoint_restart") @@ -358,8 +360,10 @@ foreach(test ${TESTS}) set(RESTART_FILE statepoint.7.binary) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.7.binary source.7.binary) - elseif(${test} MATCHES "test_particle_restart") - set(RESTART_FILE particle_12_192.binary) + elseif(${test} MATCHES "test_part_restart_eigval") + set(RESTART_FILE particle_12_842.binary) + elseif(${test} MATCHES "test_part_restart_fixed") + set(RESTART_FILE particle_7_6144.binary) else(${test} MATCHES "test_statepoint_restart") message(FATAL_ERROR "Restart test ${test} not recognized") endif(${test} MATCHES "test_statepoint_restart") diff --git a/tests/test_particle_restart/geometry.xml b/tests/test_part_restart_eigval/geometry.xml similarity index 100% rename from tests/test_particle_restart/geometry.xml rename to tests/test_part_restart_eigval/geometry.xml diff --git a/tests/test_particle_restart/materials.xml b/tests/test_part_restart_eigval/materials.xml similarity index 100% rename from tests/test_particle_restart/materials.xml rename to tests/test_part_restart_eigval/materials.xml diff --git a/tests/test_particle_restart/results.py b/tests/test_part_restart_eigval/results.py similarity index 100% rename from tests/test_particle_restart/results.py rename to tests/test_part_restart_eigval/results.py diff --git a/tests/test_particle_restart/results_true.dat b/tests/test_part_restart_eigval/results_true.dat similarity index 100% rename from tests/test_particle_restart/results_true.dat rename to tests/test_part_restart_eigval/results_true.dat diff --git a/tests/test_particle_restart/settings.xml b/tests/test_part_restart_eigval/settings.xml similarity index 100% rename from tests/test_particle_restart/settings.xml rename to tests/test_part_restart_eigval/settings.xml diff --git a/tests/test_particle_restart/test_particle_restart.py b/tests/test_part_restart_eigval/test_part_restart_eigval.py similarity index 100% rename from tests/test_particle_restart/test_particle_restart.py rename to tests/test_part_restart_eigval/test_part_restart_eigval.py diff --git a/tests/test_part_restart_fixed/geometry.xml b/tests/test_part_restart_fixed/geometry.xml new file mode 100644 index 0000000000..52fea4df64 --- /dev/null +++ b/tests/test_part_restart_fixed/geometry.xml @@ -0,0 +1,9 @@ + + + + + + + + + diff --git a/tests/test_part_restart_fixed/materials.xml b/tests/test_part_restart_fixed/materials.xml new file mode 100644 index 0000000000..deddaef97f --- /dev/null +++ b/tests/test_part_restart_fixed/materials.xml @@ -0,0 +1,9 @@ + + + + + + + + + diff --git a/tests/test_part_restart_fixed/results.py b/tests/test_part_restart_fixed/results.py new file mode 100644 index 0000000000..e84cb88cff --- /dev/null +++ b/tests/test_part_restart_fixed/results.py @@ -0,0 +1,38 @@ +#!/usr/bin/env python + +import sys + +# import particle restart +sys.path.append('../../src/utils') +import particle_restart as pr + +# read in particle restart file +if len(sys.argv) > 1: + p = pr.Particle(sys.argv[1]) +else: + p = pr.Particle('particle_7_6144.binary') + +# set up output string +outstr = '' + +# write out properties +outstr += 'current batch:\n' +outstr += "{0:12.6E}\n".format(p.current_batch) +outstr += 'current gen:\n' +outstr += "{0:12.6E}\n".format(p.current_gen) +outstr += 'particle id:\n' +outstr += "{0:12.6E}\n".format(p.id) +outstr += 'run mode:\n' +outstr += "{0:12.6E}\n".format(p.run_mode) +outstr += 'particle weight:\n' +outstr += "{0:12.6E}\n".format(p.weight) +outstr += 'particle energy:\n' +outstr += "{0:12.6E}\n".format(p.energy) +outstr += 'particle xyz:\n' +outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.xyz[0],p.xyz[1],p.xyz[2]) +outstr += 'particle uvw:\n' +outstr += "{0:12.6E} {1:12.6E} {2:12.6E}\n".format(p.uvw[0],p.uvw[1],p.uvw[2]) + +# write results to file +with open('results_test.dat','w') as fh: + fh.write(outstr) diff --git a/tests/test_part_restart_fixed/results_true.dat b/tests/test_part_restart_fixed/results_true.dat new file mode 100644 index 0000000000..ffe7d2cae5 --- /dev/null +++ b/tests/test_part_restart_fixed/results_true.dat @@ -0,0 +1,16 @@ +current batch: +7.000000E+00 +current gen: +0.000000E+00 +particle id: +6.144000E+03 +run mode: +1.000000E+00 +particle weight: +1.000000E+00 +particle energy: +5.749729E+00 +particle xyz: +8.754675E+00 2.551620E+00 4.394350E-01 +particle uvw: +-5.971721E-01 -4.845709E-01 6.391999E-01 diff --git a/tests/test_part_restart_fixed/settings.xml b/tests/test_part_restart_fixed/settings.xml new file mode 100644 index 0000000000..1d8193f8f6 --- /dev/null +++ b/tests/test_part_restart_fixed/settings.xml @@ -0,0 +1,15 @@ + + + + + 12 + 1000 + + + + + -10 -10 -5 10 10 5 + + + + diff --git a/tests/test_part_restart_fixed/test_part_restart_fixed.py b/tests/test_part_restart_fixed/test_part_restart_fixed.py new file mode 100644 index 0000000000..11ee1fad0c --- /dev/null +++ b/tests/test_part_restart_fixed/test_part_restart_fixed.py @@ -0,0 +1,68 @@ +#!/usr/bin/env python + +import os +from subprocess import Popen, STDOUT, PIPE, call +import filecmp +import glob +from optparse import OptionParser + +parser = OptionParser() +parser.add_option('--mpi_exec', dest='mpi_exec', default='') +parser.add_option('--mpi_np', dest='mpi_np', default='3') +parser.add_option('--exe', dest='exe') +(opts, args) = parser.parse_args() +cwd = os.getcwd() + +def test_run(): + if opts.mpi_exec != '': + proc = Popen([opts.mpi_exec, '-np', opts.mpi_np, opts.exe, cwd], + stderr=STDOUT, stdout=PIPE) + else: + proc = Popen([opts.exe, cwd], stderr=STDOUT, stdout=PIPE) + print(proc.communicate()[0]) + returncode = proc.returncode + assert returncode == 0, 'OpenMC did not exit successfully.' + +def test_created_restart(): + particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) + assert len(particle) == 1, 'Either multiple or no particle restart files exist.' + assert particle[0].endswith('binary') or \ + particle[0].endswith('h5'), 'Particle restart file not a binary or hdf5 file.' + +def test_results(): + particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) + call(['python', 'results.py', particle[0]]) + compare = filecmp.cmp('results_test.dat', 'results_true.dat') + if not compare: + os.rename('results_test.dat', 'results_error.dat') + assert compare, 'Results do not agree.' + +def test_run_restart(): + particle = glob.glob(os.path.join(cwd, 'particle_7_6144.*')) + proc = Popen([opts.exe, '-r', particle[0], cwd], stderr=STDOUT, stdout=PIPE) + print(proc.communicate()[0]) + returncode = proc.returncode + assert returncode == 0, 'Particle restart not successful.' + +def teardown(): + output = glob.glob(os.path.join(cwd, 'statepoint.*')) + \ + glob.glob(os.path.join(cwd, 'particle_*')) + \ + [os.path.join(cwd, 'results_test.dat')] + for f in output: + if os.path.exists(f): + os.remove(f) + +if __name__ == '__main__': + + # test for openmc executable + if opts.exe is None: + raise Exception('Must specify OpenMC executable from command line with --exe.') + + # run tests + try: + test_run() + test_created_restart() + test_results() + test_run_restart() + finally: + teardown() From 590fd55b1787d076aa9b0c249f2662d301d04c1f Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Wed, 6 Aug 2014 15:38:17 +0200 Subject: [PATCH 076/187] Fixed tests for zero_padded_statepoint --- src/CMakeLists.txt | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index ee5f882b7e..0025ba79e7 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -342,9 +342,9 @@ foreach(test ${TESTS}) # Handle restart tests separately if(${test} MATCHES "test_statepoint_restart") - set(RESTART_FILE statepoint.7.h5) + set(RESTART_FILE statepoint.07.h5) elseif(${test} MATCHES "test_sourcepoint_restart") - set(RESTART_FILE statepoint.7.h5 source.7.h5) + set(RESTART_FILE statepoint.07.h5 source.07.h5) elseif(${test} MATCHES "test_particle_restart") set(RESTART_FILE particle_12_192.h5) else(${test} MATCHES "test_statepoint_restart") @@ -355,9 +355,9 @@ foreach(test ${TESTS}) # Handle restart tests separately if(${test} MATCHES "test_statepoint_restart") - set(RESTART_FILE statepoint.7.binary) + set(RESTART_FILE statepoint.07.binary) elseif(${test} MATCHES "test_sourcepoint_restart") - set(RESTART_FILE statepoint.7.binary source.7.binary) + set(RESTART_FILE statepoint.07.binary source.07.binary) elseif(${test} MATCHES "test_particle_restart") set(RESTART_FILE particle_12_192.binary) else(${test} MATCHES "test_statepoint_restart") From 3a3df8a8bb87704d309bf4ce808a8ffbe15a8fd4 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 6 Aug 2014 21:06:17 -0400 Subject: [PATCH 077/187] Get content length in HTTP request appropriately when using Python 3. --- data/get_nndc_data.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/data/get_nndc_data.py b/data/get_nndc_data.py index ec031b95f6..aaaacd4dfa 100755 --- a/data/get_nndc_data.py +++ b/data/get_nndc_data.py @@ -32,7 +32,10 @@ for f in files: req = urlopen(url) # Get file size from header - file_size = int(req.info().getheaders('Content-Length')[0]) + if sys.version_info[0] < 3: + file_size = int(req.info().getheaders('Content-Length')[0]) + else: + file_size = req.length downloaded = 0 # Check if file already downloaded From 4cabb748df354a4e18168e2830558b5dacc3dbd3 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 6 Aug 2014 21:08:26 -0400 Subject: [PATCH 078/187] Removed analyze_source.py script. --- src/utils/analyze_source.py | 67 ------------------------------------- 1 file changed, 67 deletions(-) delete mode 100755 src/utils/analyze_source.py diff --git a/src/utils/analyze_source.py b/src/utils/analyze_source.py deleted file mode 100755 index 0b044c67d0..0000000000 --- a/src/utils/analyze_source.py +++ /dev/null @@ -1,67 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function - -import sys -import os - -# Add color for posix systems -if os.name == 'posix': - colorOn = '\x1b[34m' - colorOff = '\x1b[0m' -else: - colorOn = '' - colorOff = '' - -if len(sys.argv) <= 1: - print("Usage:") - sys.exit() - -source = sys.argv[1:] -source.sort() - -totalCode = 0 -totalComment = 0 -totalSpace = 0 - -for sourceFile in source: - code = 0 - comment = 0 - space = 0 - - ending = sourceFile[sourceFile.rindex('.') + 1:] - if ending == 'c': - commentChar = '/*' - elif ending == 'f': - commentChar = '!' - elif ending == 'f90': - commentChar = '!' - elif ending == 'F90': - commentChar = '!' - - for line in open(sourceFile, 'r'): - line = line.strip() - if line.startswith(commentChar): - comment += 1 - elif line == '': - space += 1 - else: - code += 1 - - total = comment + space + code - totalCode += code - totalComment += comment - totalSpace += space - - print(colorOn + sourceFile + colorOff) - print("Code: {0} ({1:4.1f}%)".format(code, 100.0*float(code)/total)) - print("Comments: {0} ({1:4.1f}%)".format(comment, 100.0*float(comment)/total)) - print("Spaces: {0} ({1:4.1f}%)\n".format(space, 100.0*float(space)/total)) - -total = totalCode + totalComment + totalSpace - -print(colorOn + "TOTAL COUNT" + colorOff) -print("Code: {0} ({1:4.1f}%)".format(totalCode, 100.0*float(totalCode)/total)) -print("Comments: {0} ({1:4.1f}%)".format(totalComment, 100.0*float(totalComment)/total)) -print("Spaces: {0} ({1:4.1f}%)".format(totalSpace, 100.0*float(totalSpace)/total)) -print("Total: {0}\n".format(total)) From d06b5214634323459cfa0280969574704dcb8a1e Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 6 Aug 2014 21:11:46 -0400 Subject: [PATCH 079/187] Default to python 2 for voxel.py and statepoint_3d.py. --- src/utils/statepoint_3d.py | 2 +- src/utils/voxel.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/utils/statepoint_3d.py b/src/utils/statepoint_3d.py index d65ad31a87..df550782e2 100755 --- a/src/utils/statepoint_3d.py +++ b/src/utils/statepoint_3d.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python +#!/usr/bin/env python2 from __future__ import division, print_function diff --git a/src/utils/voxel.py b/src/utils/voxel.py index 1d79484120..18488e1c0e 100755 --- a/src/utils/voxel.py +++ b/src/utils/voxel.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python +#!/usr/bin/env python2 from __future__ import division, print_function From 62415146fcd632663bd201a8891d1971cd10a8f2 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 6 Aug 2014 21:12:54 -0400 Subject: [PATCH 080/187] Use integer division in statepoint_meshplot.py. --- src/utils/statepoint_meshplot.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/utils/statepoint_meshplot.py b/src/utils/statepoint_meshplot.py index d62d9337d9..f557a256e6 100755 --- a/src/utils/statepoint_meshplot.py +++ b/src/utils/statepoint_meshplot.py @@ -1,6 +1,6 @@ #!/usr/bin/env python -from __future__ import print_function +from __future__ import print_function, division from sys import argv from math import sqrt @@ -58,7 +58,7 @@ for t in sp.tallies: nx, ny, nz = m.dimension # Calculate number of score bins - ns = t.total_score_bins * t.total_filter_bins / (nx*ny*nz) + ns = t.total_score_bins * t.total_filter_bins // (nx*ny*nz) assert n_bins == nx*ny*nz*ns # Create lists for tallies From 592944fa7a653953ef70c096ba375872df80dc6f Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Thu, 7 Aug 2014 15:04:17 +0200 Subject: [PATCH 081/187] Updated CMFD tests for restart_fixed --- tests/test_cmfd_feed/results_true.dat | 502 ++++++++++++------------ tests/test_cmfd_jfnk/results_true.dat | 470 +++++++++++----------- tests/test_cmfd_nofeed/results_true.dat | 500 +++++++++++------------ 3 files changed, 736 insertions(+), 736 deletions(-) diff --git a/tests/test_cmfd_feed/results_true.dat b/tests/test_cmfd_feed/results_true.dat index 4766a9e1d9..95dec91dd4 100644 --- a/tests/test_cmfd_feed/results_true.dat +++ b/tests/test_cmfd_feed/results_true.dat @@ -1,128 +1,128 @@ k-combined: -1.166352E+00 1.167615E-02 +1.177396E+00 4.883437E-03 tally 1: -1.181633E+01 -1.411075E+01 -2.225993E+01 -4.989263E+01 -3.022366E+01 -9.163058E+01 -3.521719E+01 -1.243119E+02 -3.683278E+01 -1.359014E+02 -3.644881E+01 -1.330874E+02 -3.368020E+01 -1.137856E+02 -2.800504E+01 -7.862785E+01 -2.099989E+01 -4.427213E+01 -1.109715E+01 -1.242693E+01 +1.107335E+01 +1.235221E+01 +2.002676E+01 +4.017045E+01 +2.844184E+01 +8.111731E+01 +3.428492E+01 +1.177848E+02 +3.735839E+01 +1.397523E+02 +3.894180E+01 +1.517824E+02 +3.528006E+01 +1.246309E+02 +2.863448E+01 +8.222321E+01 +2.125384E+01 +4.535192E+01 +1.112124E+01 +1.241089E+01 tally 2: -2.375435E+01 -2.844812E+01 -1.663749E+01 -1.396549E+01 -2.263679E+00 -2.636946E-01 -4.382531E+01 -9.669964E+01 -3.095313E+01 -4.829350E+01 -4.053211E+00 -8.354098E-01 -5.911795E+01 -1.754446E+02 -4.206165E+01 -8.884145E+01 -5.555905E+00 -1.564759E+00 -6.868764E+01 -2.367084E+02 -4.888499E+01 -1.199267E+02 -6.294307E+00 -2.009790E+00 -7.235623E+01 -2.628007E+02 -5.139839E+01 -1.326712E+02 -6.686118E+00 -2.268764E+00 -7.135408E+01 -2.557589E+02 -5.083886E+01 -1.298291E+02 -6.771083E+00 -2.317293E+00 -6.696601E+01 -2.250860E+02 -4.748258E+01 -1.132403E+02 -6.327041E+00 -2.026095E+00 -5.564372E+01 -1.553574E+02 -3.953729E+01 -7.844444E+01 -5.289683E+00 -1.415775E+00 -4.092756E+01 -8.408073E+01 -2.889867E+01 -4.193356E+01 -3.727944E+00 -7.053359E-01 -2.263358E+01 -2.604194E+01 -1.584561E+01 -1.273998E+01 -2.024017E+00 -2.141218E-01 +2.243113E+01 +2.535057E+01 +1.557550E+01 +1.222813E+01 +2.164704E+00 +2.389690E-01 +4.049814E+01 +8.218116E+01 +2.854669E+01 +4.085264E+01 +3.934452E+00 +7.833208E-01 +5.706024E+01 +1.633739E+02 +4.049737E+01 +8.234850E+01 +5.231368E+00 +1.386110E+00 +6.798682E+01 +2.320807E+02 +4.819178E+01 +1.166820E+02 +6.247056E+00 +1.968990E+00 +7.449317E+01 +2.782374E+02 +5.315156E+01 +1.417287E+02 +6.667584E+00 +2.250879E+00 +7.530107E+01 +2.849330E+02 +5.378916E+01 +1.454619E+02 +7.071012E+00 +2.522919E+00 +6.820303E+01 +2.335083E+02 +4.850330E+01 +1.181013E+02 +6.241747E+00 +1.973368E+00 +5.831373E+01 +1.704779E+02 +4.149124E+01 +8.633656E+01 +5.385636E+00 +1.468642E+00 +4.184350E+01 +8.792430E+01 +2.971699E+01 +4.435896E+01 +3.784806E+00 +7.343249E-01 +2.202673E+01 +2.444732E+01 +1.531988E+01 +1.183160E+01 +2.073873E+00 +2.272561E-01 tally 3: -1.602499E+01 -1.295630E+01 -1.060542E+00 -5.920587E-02 -2.980673E+01 -4.480492E+01 -1.936250E+00 -1.905077E-01 -4.051926E+01 -8.246657E+01 -2.606639E+00 -3.437220E-01 -4.705779E+01 -1.111431E+02 -3.028454E+00 -4.619883E-01 -4.957304E+01 -1.234274E+02 -3.176475E+00 -5.108616E-01 -4.897053E+01 -1.204739E+02 -3.080782E+00 -4.792314E-01 -4.569001E+01 -1.048762E+02 -2.913485E+00 -4.283033E-01 -3.800244E+01 -7.248583E+01 -2.465881E+00 -3.073302E-01 -2.784859E+01 -3.895822E+01 -1.770793E+00 -1.579009E-01 -1.528645E+01 -1.186641E+01 -1.015624E+00 -5.285299E-02 +1.500439E+01 +1.135466E+01 +9.942586E-01 +5.051831E-02 +2.744453E+01 +3.776958E+01 +1.781992E+00 +1.612021E-01 +3.901013E+01 +7.642401E+01 +2.472924E+00 +3.077607E-01 +4.642527E+01 +1.082730E+02 +2.924369E+00 +4.335819E-01 +5.109083E+01 +1.309660E+02 +3.325865E+00 +5.592642E-01 +5.182512E+01 +1.350762E+02 +3.259912E+00 +5.350517E-01 +4.672480E+01 +1.095974E+02 +3.097309E+00 +4.854729E-01 +3.997405E+01 +8.014326E+01 +2.589176E+00 +3.374615E-01 +2.861624E+01 +4.114210E+01 +1.806237E+00 +1.656944E-01 +1.474531E+01 +1.096355E+01 +9.807860E-01 +4.934364E-02 tally 4: 0.000000E+00 0.000000E+00 @@ -160,8 +160,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.198289E+00 -5.148488E-01 +3.050887E+00 +4.698799E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -208,10 +208,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.696337E+00 -1.628487E+00 -2.860206E+00 -4.137254E-01 +5.388951E+00 +1.456464E+00 +2.664528E+00 +3.577345E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -256,10 +256,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -7.588948E+00 -2.895325E+00 -5.292314E+00 -1.413583E+00 +7.165280E+00 +2.573230E+00 +4.930263E+00 +1.218988E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -304,10 +304,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.876155E+00 -3.953353E+00 -7.255925E+00 -2.639713E+00 +8.550278E+00 +3.668687E+00 +6.985934E+00 +2.450395E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -352,10 +352,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -9.354049E+00 -4.393658E+00 -8.482819E+00 -3.610891E+00 +9.236725E+00 +4.281659E+00 +8.429932E+00 +3.565265E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -400,10 +400,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.943279E+00 -4.014844E+00 -8.979641E+00 -4.049912E+00 +9.396613E+00 +4.431004E+00 +9.307625E+00 +4.351276E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -448,10 +448,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.300834E+00 -3.459191E+00 -9.090369E+00 -4.158129E+00 +8.721885E+00 +3.821463E+00 +9.438995E+00 +4.479948E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -496,10 +496,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -6.804280E+00 -2.322582E+00 -8.354155E+00 -3.514646E+00 +7.096946E+00 +2.525113E+00 +8.605114E+00 +3.710134E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -544,10 +544,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.046905E+00 -1.278109E+00 -7.174660E+00 -2.586803E+00 +5.222832E+00 +1.373166E+00 +7.480684E+00 +2.804650E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -592,10 +592,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -2.662185E+00 -3.600983E-01 -5.306922E+00 -1.415937E+00 +2.726690E+00 +3.773397E-01 +5.470375E+00 +1.504111E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -642,8 +642,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.042882E+00 -4.659100E-01 +3.026290E+00 +4.597502E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -662,114 +662,114 @@ k cmfd 0.000000E+00 0.000000E+00 0.000000E+00 -1.155207E+00 -1.161934E+00 -1.162573E+00 -1.155825E+00 -1.156010E+00 -1.155352E+00 -1.149838E+00 -1.160768E+00 -1.160453E+00 -1.169217E+00 -1.162716E+00 -1.161432E+00 -1.163968E+00 -1.165559E+00 -1.164094E+00 -1.159570E+00 +1.150583E+00 +1.159578E+00 +1.162798E+00 +1.171003E+00 +1.162732E+00 +1.165591E+00 +1.166032E+00 +1.165387E+00 +1.165451E+00 +1.170726E+00 +1.170820E+00 +1.167945E+00 +1.166050E+00 +1.165757E+00 +1.167631E+00 +1.168366E+00 cmfd entropy 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -3.220491E+00 -3.222825E+00 -3.218323E+00 -3.219037E+00 -3.218088E+00 -3.218982E+00 -3.223440E+00 -3.219003E+00 -3.219661E+00 -3.222534E+00 -3.226366E+00 -3.225935E+00 -3.225693E+00 -3.225236E+00 -3.226171E+00 -3.227775E+00 +3.215201E+00 +3.212850E+00 +3.214094E+00 +3.208054E+00 +3.212891E+00 +3.213349E+00 +3.208290E+00 +3.206895E+00 +3.208786E+00 +3.209630E+00 +3.212321E+00 +3.211750E+00 +3.212453E+00 +3.213370E+00 +3.211791E+00 +3.212685E+00 cmfd balance 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -7.152541E-03 -7.231826E-03 -5.207222E-03 -4.847674E-03 -4.190622E-03 -3.646931E-03 -3.246272E-03 -4.268558E-03 -3.666841E-03 -3.201934E-03 -2.607402E-03 -2.522363E-03 -2.503931E-03 -2.357463E-03 -2.164466E-03 -1.815207E-03 +6.348026E-03 +5.102747E-03 +4.043947E-03 +3.952742E-03 +2.533934E-03 +2.215030E-03 +2.945032E-03 +2.597862E-03 +2.300873E-03 +1.991974E-03 +1.679430E-03 +1.636923E-03 +1.581336E-03 +1.431472E-03 +1.419168E-03 +1.256242E-03 cmfd dominance ratio 0.000E+00 0.000E+00 0.000E+00 0.000E+00 - 5.433E-01 - 5.463E-01 - 5.421E-01 - 5.439E-01 - 5.435E-01 - 5.456E-01 - 5.482E-01 - 5.458E-01 - 5.458E-01 - 5.462E-01 - 5.494E-01 - 5.486E-01 - 5.492E-01 - 5.482E-01 - 5.482E-01 - 5.492E-01 + 5.524E-01 + 5.476E-01 + 5.474E-01 + 5.419E-01 + 5.443E-01 + 5.448E-01 + 5.408E-01 + 5.391E-01 + 5.400E-01 + 5.396E-01 + 5.408E-01 + 5.398E-01 + 5.398E-01 + 5.399E-01 + 5.388E-01 + 5.389E-01 cmfd openmc source comparison 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.520219E-02 -1.051769E-02 -9.811647E-03 -8.544887E-03 -7.860220E-03 -6.949328E-03 -5.032373E-03 -5.022939E-03 -4.521643E-03 -4.306799E-03 -4.227082E-03 -4.166664E-03 -4.553703E-03 -3.834049E-03 -3.649749E-03 -3.258051E-03 +8.388554E-03 +7.868057E-03 +6.387209E-03 +6.979018E-03 +5.634468E-03 +5.579466E-03 +5.647779E-03 +5.289856E-03 +4.550547E-03 +4.373716E-03 +4.042350E-03 +3.813510E-03 +3.749151E-03 +3.358126E-03 +3.562360E-03 +3.904942E-03 cmfd source -4.575620E-02 -8.436685E-02 -1.142434E-01 -1.327994E-01 -1.388492E-01 -1.341762E-01 -1.258878E-01 -1.060199E-01 -7.531612E-02 -4.258493E-02 +4.142294E-02 +7.484382E-02 +1.050784E-01 +1.256771E-01 +1.444717E-01 +1.420230E-01 +1.350735E-01 +1.118744E-01 +7.755343E-02 +4.198177E-02 diff --git a/tests/test_cmfd_jfnk/results_true.dat b/tests/test_cmfd_jfnk/results_true.dat index cabaabd348..dd9c727d37 100644 --- a/tests/test_cmfd_jfnk/results_true.dat +++ b/tests/test_cmfd_jfnk/results_true.dat @@ -1,128 +1,128 @@ k-combined: -1.166352E+00 1.167615E-02 +1.177396E+00 4.883437E-03 tally 1: -1.181633E+01 -1.411075E+01 -2.225993E+01 -4.989263E+01 -3.022366E+01 -9.163058E+01 -3.521719E+01 -1.243119E+02 -3.683278E+01 -1.359014E+02 -3.644881E+01 -1.330874E+02 -3.368020E+01 -1.137856E+02 -2.800504E+01 -7.862785E+01 -2.099989E+01 -4.427213E+01 -1.109715E+01 -1.242693E+01 +1.107335E+01 +1.235221E+01 +2.002676E+01 +4.017045E+01 +2.844184E+01 +8.111731E+01 +3.428492E+01 +1.177848E+02 +3.735839E+01 +1.397523E+02 +3.894180E+01 +1.517824E+02 +3.528006E+01 +1.246309E+02 +2.863448E+01 +8.222321E+01 +2.125384E+01 +4.535192E+01 +1.112124E+01 +1.241089E+01 tally 2: -2.375435E+01 -2.844812E+01 -1.663749E+01 -1.396549E+01 -2.263679E+00 -2.636946E-01 -4.382531E+01 -9.669964E+01 -3.095313E+01 -4.829350E+01 -4.053211E+00 -8.354098E-01 -5.911795E+01 -1.754446E+02 -4.206165E+01 -8.884145E+01 -5.555905E+00 -1.564759E+00 -6.868764E+01 -2.367084E+02 -4.888499E+01 -1.199267E+02 -6.294307E+00 -2.009790E+00 -7.235623E+01 -2.628007E+02 -5.139839E+01 -1.326712E+02 -6.686118E+00 -2.268764E+00 -7.135408E+01 -2.557589E+02 -5.083886E+01 -1.298291E+02 -6.771083E+00 -2.317293E+00 -6.696601E+01 -2.250860E+02 -4.748258E+01 -1.132403E+02 -6.327041E+00 -2.026095E+00 -5.564372E+01 -1.553574E+02 -3.953729E+01 -7.844444E+01 -5.289683E+00 -1.415775E+00 -4.092756E+01 -8.408073E+01 -2.889867E+01 -4.193356E+01 -3.727944E+00 -7.053359E-01 -2.263358E+01 -2.604194E+01 -1.584561E+01 -1.273998E+01 -2.024017E+00 -2.141218E-01 +2.243113E+01 +2.535057E+01 +1.557550E+01 +1.222813E+01 +2.164704E+00 +2.389690E-01 +4.049814E+01 +8.218116E+01 +2.854669E+01 +4.085264E+01 +3.934452E+00 +7.833208E-01 +5.706024E+01 +1.633739E+02 +4.049737E+01 +8.234850E+01 +5.231368E+00 +1.386110E+00 +6.798682E+01 +2.320807E+02 +4.819178E+01 +1.166820E+02 +6.247056E+00 +1.968990E+00 +7.449317E+01 +2.782374E+02 +5.315156E+01 +1.417287E+02 +6.667584E+00 +2.250879E+00 +7.530107E+01 +2.849330E+02 +5.378916E+01 +1.454619E+02 +7.071012E+00 +2.522919E+00 +6.820303E+01 +2.335083E+02 +4.850330E+01 +1.181013E+02 +6.241747E+00 +1.973368E+00 +5.831373E+01 +1.704779E+02 +4.149124E+01 +8.633656E+01 +5.385636E+00 +1.468642E+00 +4.184350E+01 +8.792430E+01 +2.971699E+01 +4.435896E+01 +3.784806E+00 +7.343249E-01 +2.202673E+01 +2.444732E+01 +1.531988E+01 +1.183160E+01 +2.073873E+00 +2.272561E-01 tally 3: -1.602499E+01 -1.295630E+01 -1.060542E+00 -5.920587E-02 -2.980673E+01 -4.480492E+01 -1.936250E+00 -1.905077E-01 -4.051926E+01 -8.246657E+01 -2.606639E+00 -3.437220E-01 -4.705779E+01 -1.111431E+02 -3.028454E+00 -4.619883E-01 -4.957304E+01 -1.234274E+02 -3.176475E+00 -5.108616E-01 -4.897053E+01 -1.204739E+02 -3.080782E+00 -4.792314E-01 -4.569001E+01 -1.048762E+02 -2.913485E+00 -4.283033E-01 -3.800244E+01 -7.248583E+01 -2.465881E+00 -3.073302E-01 -2.784859E+01 -3.895822E+01 -1.770793E+00 -1.579009E-01 -1.528645E+01 -1.186641E+01 -1.015624E+00 -5.285299E-02 +1.500439E+01 +1.135466E+01 +9.942586E-01 +5.051831E-02 +2.744453E+01 +3.776958E+01 +1.781992E+00 +1.612021E-01 +3.901013E+01 +7.642401E+01 +2.472924E+00 +3.077607E-01 +4.642527E+01 +1.082730E+02 +2.924369E+00 +4.335819E-01 +5.109083E+01 +1.309660E+02 +3.325865E+00 +5.592642E-01 +5.182512E+01 +1.350762E+02 +3.259912E+00 +5.350517E-01 +4.672480E+01 +1.095974E+02 +3.097309E+00 +4.854729E-01 +3.997405E+01 +8.014326E+01 +2.589176E+00 +3.374615E-01 +2.861624E+01 +4.114210E+01 +1.806237E+00 +1.656944E-01 +1.474531E+01 +1.096355E+01 +9.807860E-01 +4.934364E-02 tally 4: 0.000000E+00 0.000000E+00 @@ -160,8 +160,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.198289E+00 -5.148488E-01 +3.050887E+00 +4.698799E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -208,10 +208,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.696337E+00 -1.628487E+00 -2.860206E+00 -4.137254E-01 +5.388951E+00 +1.456464E+00 +2.664528E+00 +3.577345E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -256,10 +256,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -7.588948E+00 -2.895325E+00 -5.292314E+00 -1.413583E+00 +7.165280E+00 +2.573230E+00 +4.930263E+00 +1.218988E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -304,10 +304,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.876155E+00 -3.953353E+00 -7.255925E+00 -2.639713E+00 +8.550278E+00 +3.668687E+00 +6.985934E+00 +2.450395E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -352,10 +352,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -9.354049E+00 -4.393658E+00 -8.482819E+00 -3.610891E+00 +9.236725E+00 +4.281659E+00 +8.429932E+00 +3.565264E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -400,10 +400,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.943279E+00 -4.014844E+00 -8.979641E+00 -4.049912E+00 +9.396613E+00 +4.431004E+00 +9.307625E+00 +4.351276E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -448,10 +448,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.300834E+00 -3.459191E+00 -9.090369E+00 -4.158129E+00 +8.721885E+00 +3.821463E+00 +9.438995E+00 +4.479948E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -496,10 +496,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -6.804280E+00 -2.322582E+00 -8.354155E+00 -3.514646E+00 +7.096946E+00 +2.525113E+00 +8.605114E+00 +3.710134E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -544,10 +544,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.046905E+00 -1.278109E+00 -7.174660E+00 -2.586803E+00 +5.222832E+00 +1.373166E+00 +7.480684E+00 +2.804650E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -592,10 +592,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -2.662185E+00 -3.600983E-01 -5.306922E+00 -1.415937E+00 +2.726690E+00 +3.773397E-01 +5.470375E+00 +1.504111E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -642,8 +642,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.042882E+00 -4.659100E-01 +3.026290E+00 +4.597502E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -662,64 +662,64 @@ k cmfd 0.000000E+00 0.000000E+00 0.000000E+00 -1.155207E+00 -1.161934E+00 -1.162573E+00 -1.155825E+00 -1.156010E+00 -1.155352E+00 -1.149838E+00 -1.160768E+00 -1.160453E+00 -1.169217E+00 -1.162716E+00 -1.161432E+00 -1.163968E+00 -1.165559E+00 -1.164094E+00 -1.159570E+00 +1.150583E+00 +1.159578E+00 +1.162798E+00 +1.171003E+00 +1.162732E+00 +1.165591E+00 +1.166032E+00 +1.165387E+00 +1.165451E+00 +1.170726E+00 +1.170820E+00 +1.167945E+00 +1.166050E+00 +1.165757E+00 +1.167631E+00 +1.168366E+00 cmfd entropy 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -3.220491E+00 -3.222825E+00 -3.218323E+00 -3.219037E+00 -3.218088E+00 -3.218982E+00 -3.223440E+00 -3.219003E+00 -3.219661E+00 -3.222534E+00 -3.226366E+00 -3.225935E+00 -3.225693E+00 -3.225236E+00 -3.226171E+00 -3.227775E+00 +3.215201E+00 +3.212850E+00 +3.214094E+00 +3.208054E+00 +3.212891E+00 +3.213349E+00 +3.208290E+00 +3.206895E+00 +3.208786E+00 +3.209630E+00 +3.212321E+00 +3.211750E+00 +3.212453E+00 +3.213370E+00 +3.211791E+00 +3.212685E+00 cmfd balance 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -7.152541E-03 -7.231826E-03 -5.207222E-03 -4.847674E-03 -4.190622E-03 -3.646931E-03 -3.246272E-03 -4.268558E-03 -3.666841E-03 -3.201934E-03 -2.607402E-03 -2.522363E-03 -2.503931E-03 -2.357463E-03 -2.164466E-03 -1.815206E-03 +6.348026E-03 +5.102747E-03 +4.043947E-03 +3.952742E-03 +2.533934E-03 +2.215030E-03 +2.945032E-03 +2.597862E-03 +2.300873E-03 +1.991974E-03 +1.679430E-03 +1.636923E-03 +1.581336E-03 +1.431472E-03 +1.419168E-03 +1.256242E-03 cmfd dominance ratio 0.000E+00 0.000E+00 @@ -746,30 +746,30 @@ cmfd openmc source comparison 0.000000E+00 0.000000E+00 0.000000E+00 -1.520220E-02 -1.051769E-02 -9.811648E-03 -8.544888E-03 -7.860220E-03 -6.949329E-03 -5.032373E-03 -5.022939E-03 -4.521643E-03 -4.306800E-03 -4.227084E-03 -4.166665E-03 -4.553705E-03 -3.834051E-03 -3.649750E-03 -3.258053E-03 +8.388554E-03 +7.868057E-03 +6.387210E-03 +6.979018E-03 +5.634468E-03 +5.579467E-03 +5.647780E-03 +5.289856E-03 +4.550548E-03 +4.373716E-03 +4.042349E-03 +3.813510E-03 +3.749150E-03 +3.358125E-03 +3.562360E-03 +3.904943E-03 cmfd source -4.575620E-02 -8.436685E-02 -1.142434E-01 -1.327994E-01 -1.388492E-01 -1.341762E-01 -1.258878E-01 -1.060199E-01 -7.531612E-02 -4.258493E-02 +4.142294E-02 +7.484381E-02 +1.050784E-01 +1.256771E-01 +1.444717E-01 +1.420230E-01 +1.350735E-01 +1.118744E-01 +7.755343E-02 +4.198177E-02 diff --git a/tests/test_cmfd_nofeed/results_true.dat b/tests/test_cmfd_nofeed/results_true.dat index 426bdb7cd2..761a4749da 100644 --- a/tests/test_cmfd_nofeed/results_true.dat +++ b/tests/test_cmfd_nofeed/results_true.dat @@ -1,128 +1,128 @@ k-combined: -1.172791E+00 6.252959E-03 +1.170519E+00 8.422959E-03 tally 1: -1.163448E+01 -1.363980E+01 -2.145286E+01 -4.616529E+01 -2.888253E+01 -8.376909E+01 -3.373143E+01 -1.141757E+02 -3.746579E+01 -1.406721E+02 -3.777515E+01 -1.428729E+02 -3.386238E+01 -1.147938E+02 -2.897188E+01 -8.420449E+01 -2.136315E+01 -4.582748E+01 -1.108879E+01 -1.236048E+01 +1.078122E+01 +1.170828E+01 +1.999878E+01 +4.018561E+01 +2.812898E+01 +7.936860E+01 +3.362276E+01 +1.133841E+02 +3.714459E+01 +1.382628E+02 +3.828125E+01 +1.470408E+02 +3.599263E+01 +1.299451E+02 +3.090749E+01 +9.596105E+01 +2.144103E+01 +4.630323E+01 +1.143002E+01 +1.314355E+01 tally 2: -2.372805E+01 -2.837972E+01 -1.658800E+01 -1.388151E+01 -2.247323E+00 -2.582582E-01 -4.299776E+01 -9.287131E+01 -3.043200E+01 -4.657631E+01 -3.934057E+00 -7.973541E-01 -5.684445E+01 -1.623153E+02 -4.034800E+01 -8.179073E+01 -5.379322E+00 -1.465670E+00 -6.606709E+01 -2.191486E+02 -4.692300E+01 -1.106126E+02 -5.750728E+00 -1.674662E+00 -7.255562E+01 -2.645381E+02 -5.158400E+01 -1.337742E+02 -6.636809E+00 -2.234026E+00 -7.201624E+01 -2.607904E+02 -5.120900E+01 -1.318401E+02 -6.679637E+00 -2.260160E+00 -6.713101E+01 -2.261599E+02 -4.758700E+01 -1.136620E+02 -6.543521E+00 -2.167610E+00 -5.662017E+01 -1.608249E+02 -4.020700E+01 -8.115173E+01 -5.470801E+00 -1.508646E+00 -4.250475E+01 -9.067511E+01 -3.008800E+01 -4.543510E+01 -3.893346E+00 -7.757374E-01 -2.346776E+01 -2.789085E+01 -1.631500E+01 -1.346917E+01 -2.248911E+00 -2.635335E-01 +2.247115E+01 +2.548076E+01 +1.574700E+01 +1.251937E+01 +2.119907E+00 +2.284737E-01 +4.160187E+01 +8.733627E+01 +2.945600E+01 +4.383448E+01 +4.027136E+00 +8.279807E-01 +5.722117E+01 +1.643758E+02 +4.057100E+01 +8.267151E+01 +5.388803E+00 +1.465180E+00 +6.769175E+01 +2.300722E+02 +4.800300E+01 +1.157663E+02 +6.213554E+00 +1.946061E+00 +7.376629E+01 +2.729167E+02 +5.253400E+01 +1.385018E+02 +6.438590E+00 +2.103693E+00 +7.454128E+01 +2.790080E+02 +5.311800E+01 +1.417584E+02 +6.784745E+00 +2.328936E+00 +6.907125E+01 +2.397912E+02 +4.912000E+01 +1.213330E+02 +6.405754E+00 +2.075535E+00 +6.012056E+01 +1.815248E+02 +4.280600E+01 +9.207864E+01 +5.534450E+00 +1.555396E+00 +4.229808E+01 +8.999380E+01 +3.003200E+01 +4.541718E+01 +3.844618E+00 +7.537006E-01 +2.272774E+01 +2.597695E+01 +1.577800E+01 +1.252728E+01 +2.221451E+00 +2.528223E-01 tally 3: -1.601100E+01 -1.293342E+01 -1.062007E+00 -5.868554E-02 -2.927700E+01 -4.312144E+01 -1.921709E+00 -1.866340E-01 -3.887000E+01 -7.592933E+01 -2.578823E+00 -3.377406E-01 -4.523100E+01 -1.028071E+02 -2.905782E+00 -4.248071E-01 -4.966300E+01 -1.240308E+02 -3.172094E+00 -5.080457E-01 -4.933600E+01 -1.223712E+02 -3.077790E+00 -4.818212E-01 -4.581400E+01 -1.053633E+02 -2.952966E+00 -4.398204E-01 -3.859900E+01 -7.480105E+01 -2.487981E+00 -3.120526E-01 -2.904800E+01 -4.235413E+01 -1.830501E+00 -1.695713E-01 -1.571800E+01 -1.251318E+01 -1.042785E+00 -5.535596E-02 +1.517200E+01 +1.162361E+01 +9.172562E-01 +4.342120E-02 +2.835000E+01 +4.061736E+01 +1.868192E+00 +1.761390E-01 +3.911800E+01 +7.686442E+01 +2.478956E+00 +3.088180E-01 +4.617600E+01 +1.071239E+02 +2.980518E+00 +4.488545E-01 +5.059100E+01 +1.284662E+02 +3.257651E+00 +5.341674E-01 +5.115000E+01 +1.314866E+02 +3.365441E+00 +5.729274E-01 +4.732100E+01 +1.126317E+02 +3.051596E+00 +4.705140E-01 +4.120700E+01 +8.535705E+01 +2.704451E+00 +3.705800E-01 +2.900900E+01 +4.238065E+01 +1.872660E+00 +1.780668E-01 +1.520000E+01 +1.162785E+01 +1.007084E+00 +5.171907E-02 tally 4: 0.000000E+00 0.000000E+00 @@ -160,8 +160,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.203000E+00 -5.158630E-01 +3.017000E+00 +4.575810E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -208,10 +208,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.609000E+00 -1.577889E+00 -2.821000E+00 -4.027670E-01 +5.447000E+00 +1.491865E+00 +2.697000E+00 +3.709330E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -256,10 +256,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -7.388000E+00 -2.743104E+00 -5.132000E+00 -1.326058E+00 +7.403000E+00 +2.751813E+00 +5.151000E+00 +1.334701E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -304,10 +304,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.546000E+00 -3.663882E+00 -7.038000E+00 -2.485210E+00 +8.635000E+00 +3.741143E+00 +7.048000E+00 +2.495310E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -352,10 +352,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -9.133000E+00 -4.188925E+00 -8.421000E+00 -3.562213E+00 +9.381000E+00 +4.415619E+00 +8.456000E+00 +3.587840E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -400,10 +400,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -9.030000E+00 -4.099006E+00 -9.130000E+00 -4.191968E+00 +9.297000E+00 +4.334551E+00 +9.198000E+00 +4.240540E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -448,10 +448,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -8.215000E+00 -3.386667E+00 -9.060000E+00 -4.129934E+00 +8.737000E+00 +3.843559E+00 +9.508000E+00 +4.553256E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -496,10 +496,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -6.879000E+00 -2.379269E+00 -8.481000E+00 -3.624165E+00 +7.338000E+00 +2.709162E+00 +8.888000E+00 +3.969398E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -544,10 +544,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -5.201000E+00 -1.360099E+00 -7.317000E+00 -2.690989E+00 +5.354000E+00 +1.442386E+00 +7.584000E+00 +2.887298E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -592,10 +592,10 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -2.794000E+00 -3.955460E-01 -5.480000E+00 -1.507540E+00 +2.707000E+00 +3.709270E-01 +5.507000E+00 +1.522587E+00 0.000000E+00 0.000000E+00 0.000000E+00 @@ -642,8 +642,8 @@ tally 4: 0.000000E+00 0.000000E+00 0.000000E+00 -3.083000E+00 -4.785830E-01 +3.112000E+00 +4.868600E-01 0.000000E+00 0.000000E+00 0.000000E+00 @@ -662,114 +662,114 @@ k cmfd 0.000000E+00 0.000000E+00 0.000000E+00 -1.155207E+00 -1.158935E+00 -1.155638E+00 -1.156869E+00 -1.149254E+00 -1.142535E+00 -1.147154E+00 -1.149307E+00 -1.155432E+00 -1.154360E+00 -1.158046E+00 -1.161285E+00 -1.162239E+00 -1.159876E+00 -1.160788E+00 -1.159887E+00 +1.150583E+00 +1.160876E+00 +1.160893E+00 +1.157393E+00 +1.157826E+00 +1.163206E+00 +1.169286E+00 +1.169322E+00 +1.169866E+00 +1.177576E+00 +1.183172E+00 +1.184784E+00 +1.186581E+00 +1.183233E+00 +1.181032E+00 +1.180107E+00 cmfd entropy 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -3.220491E+00 -3.220661E+00 -3.229936E+00 -3.229924E+00 -3.231123E+00 -3.231398E+00 -3.229138E+00 -3.230592E+00 -3.228648E+00 -3.229301E+00 -3.227132E+00 -3.229052E+00 -3.228856E+00 -3.230663E+00 -3.230136E+00 -3.231025E+00 +3.215201E+00 +3.214833E+00 +3.211409E+00 +3.218241E+00 +3.220068E+00 +3.217667E+00 +3.214425E+00 +3.215427E+00 +3.214339E+00 +3.212343E+00 +3.211075E+00 +3.211281E+00 +3.209704E+00 +3.210597E+00 +3.213481E+00 +3.213943E+00 cmfd balance 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -7.152541E-03 -7.104497E-03 -3.644474E-03 -4.530563E-03 -3.122133E-03 -2.665224E-03 -3.131292E-03 -3.095093E-03 -3.182336E-03 -2.914286E-03 -2.668155E-03 -2.322013E-03 -2.261088E-03 -2.100433E-03 -2.068427E-03 -1.991522E-03 +6.348026E-03 +4.651411E-03 +3.551519E-03 +2.893286E-03 +2.930836E-03 +2.342081E-03 +2.443793E-03 +2.380658E-03 +2.091259E-03 +2.144887E-03 +2.055334E-03 +1.907704E-03 +1.879350E-03 +1.598308E-03 +1.247988E-03 +1.179680E-03 cmfd dominance ratio 0.000E+00 0.000E+00 0.000E+00 0.000E+00 + 5.524E-01 + 5.492E-01 + 5.459E-01 + 5.486E-01 + 5.475E-01 + 5.455E-01 5.433E-01 - 5.438E-01 - 5.499E-01 - 5.527E-01 - 5.556E-01 - 5.556E-01 - 5.540E-01 - 5.545E-01 - 5.521E-01 - 5.530E-01 - 5.510E-01 - 5.515E-01 - 5.500E-01 - 5.514E-01 - 5.506E-01 - 5.515E-01 + 5.425E-01 + 5.412E-01 + 5.404E-01 + 5.399E-01 + 5.400E-01 + 5.401E-01 + 5.414E-01 + 5.433E-01 + 5.437E-01 cmfd openmc source comparison 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.520219E-02 -1.064239E-02 -7.165390E-03 -6.348371E-03 -6.195458E-03 -5.926990E-03 -5.851775E-03 -4.374979E-03 -4.719631E-03 -4.419781E-03 -4.364431E-03 -3.551498E-03 -3.772091E-03 -2.907247E-03 -3.421922E-03 -2.616239E-03 +8.388554E-03 +6.525044E-03 +5.810856E-03 +3.651620E-03 +3.448625E-03 +3.805838E-03 +4.064235E-03 +3.244723E-03 +3.963513E-03 +4.186768E-03 +3.785555E-03 +2.732731E-03 +2.308430E-03 +2.074797E-03 +1.581512E-03 +1.729988E-03 cmfd source -4.503063E-02 -8.252550E-02 -1.117300E-01 -1.266280E-01 -1.386100E-01 -1.348011E-01 -1.291490E-01 -1.083842E-01 -7.890593E-02 -4.423568E-02 +3.816410E-02 +7.860013E-02 +1.050204E-01 +1.270331E-01 +1.389768E-01 +1.438216E-01 +1.304530E-01 +1.155470E-01 +7.975741E-02 +4.262650E-02 From 94b3f90321f2eb0bb2e1d6cdbd88ed4524a3615b Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 8 Aug 2014 11:13:34 +0200 Subject: [PATCH 082/187] Removed unnecessary whitespace --- src/global.F90 | 1 - 1 file changed, 1 deletion(-) diff --git a/src/global.F90 b/src/global.F90 index 41052afe4c..20a26dce3b 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -260,7 +260,6 @@ module global type(Bank), pointer :: source_site => null() !$omp threadprivate(source_site) - ! Restart run logical :: restart_run = .false. integer :: restart_batch From 5e445ae8aa95f4eb56bfee9d8756adac8db51bbe Mon Sep 17 00:00:00 2001 From: Sterling Harper Date: Fri, 8 Aug 2014 12:40:28 +0200 Subject: [PATCH 083/187] Renamed tests part_restart to particle_restart --- src/CMakeLists.txt | 4 ++-- .../geometry.xml | 0 .../materials.xml | 0 .../results.py | 0 .../results_true.dat | 0 .../settings.xml | 0 .../test_particle_restart_eigval.py} | 0 .../geometry.xml | 0 .../materials.xml | 0 .../results.py | 0 .../results_true.dat | 0 .../settings.xml | 0 .../test_particle_restart_fixed.py} | 0 13 files changed, 2 insertions(+), 2 deletions(-) rename tests/{test_part_restart_eigval => test_particle_restart_eigval}/geometry.xml (100%) rename tests/{test_part_restart_eigval => test_particle_restart_eigval}/materials.xml (100%) rename tests/{test_part_restart_eigval => test_particle_restart_eigval}/results.py (100%) rename tests/{test_part_restart_eigval => test_particle_restart_eigval}/results_true.dat (100%) rename tests/{test_part_restart_eigval => test_particle_restart_eigval}/settings.xml (100%) rename tests/{test_part_restart_eigval/test_part_restart_eigval.py => test_particle_restart_eigval/test_particle_restart_eigval.py} (100%) rename tests/{test_part_restart_fixed => test_particle_restart_fixed}/geometry.xml (100%) rename tests/{test_part_restart_fixed => test_particle_restart_fixed}/materials.xml (100%) rename tests/{test_part_restart_fixed => test_particle_restart_fixed}/results.py (100%) rename tests/{test_part_restart_fixed => test_particle_restart_fixed}/results_true.dat (100%) rename tests/{test_part_restart_fixed => test_particle_restart_fixed}/settings.xml (100%) rename tests/{test_part_restart_fixed/test_part_restart_fixed.py => test_particle_restart_fixed/test_particle_restart_fixed.py} (100%) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 9ce433731f..8133d0c9e3 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -345,9 +345,9 @@ foreach(test ${TESTS}) set(RESTART_FILE statepoint.7.h5) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.7.h5 source.7.h5) - elseif(${test} MATCHES "test_part_restart_eigval") + elseif(${test} MATCHES "test_particle_restart_eigval") set(RESTART_FILE particle_12_842.h5) - elseif(${test} MATCHES "test_part_restart_fixed") + elseif(${test} MATCHES "test_particle_restart_fixed") set(RESTART_FILE particle_7_6144.h5) else(${test} MATCHES "test_statepoint_restart") message(FATAL_ERROR "Restart test ${test} not recognized") diff --git a/tests/test_part_restart_eigval/geometry.xml b/tests/test_particle_restart_eigval/geometry.xml similarity index 100% rename from tests/test_part_restart_eigval/geometry.xml rename to tests/test_particle_restart_eigval/geometry.xml diff --git a/tests/test_part_restart_eigval/materials.xml b/tests/test_particle_restart_eigval/materials.xml similarity index 100% rename from tests/test_part_restart_eigval/materials.xml rename to tests/test_particle_restart_eigval/materials.xml diff --git a/tests/test_part_restart_eigval/results.py b/tests/test_particle_restart_eigval/results.py similarity index 100% rename from tests/test_part_restart_eigval/results.py rename to tests/test_particle_restart_eigval/results.py diff --git a/tests/test_part_restart_eigval/results_true.dat b/tests/test_particle_restart_eigval/results_true.dat similarity index 100% rename from tests/test_part_restart_eigval/results_true.dat rename to tests/test_particle_restart_eigval/results_true.dat diff --git a/tests/test_part_restart_eigval/settings.xml b/tests/test_particle_restart_eigval/settings.xml similarity index 100% rename from tests/test_part_restart_eigval/settings.xml rename to tests/test_particle_restart_eigval/settings.xml diff --git a/tests/test_part_restart_eigval/test_part_restart_eigval.py b/tests/test_particle_restart_eigval/test_particle_restart_eigval.py similarity index 100% rename from tests/test_part_restart_eigval/test_part_restart_eigval.py rename to tests/test_particle_restart_eigval/test_particle_restart_eigval.py diff --git a/tests/test_part_restart_fixed/geometry.xml b/tests/test_particle_restart_fixed/geometry.xml similarity index 100% rename from tests/test_part_restart_fixed/geometry.xml rename to tests/test_particle_restart_fixed/geometry.xml diff --git a/tests/test_part_restart_fixed/materials.xml b/tests/test_particle_restart_fixed/materials.xml similarity index 100% rename from tests/test_part_restart_fixed/materials.xml rename to tests/test_particle_restart_fixed/materials.xml diff --git a/tests/test_part_restart_fixed/results.py b/tests/test_particle_restart_fixed/results.py similarity index 100% rename from tests/test_part_restart_fixed/results.py rename to tests/test_particle_restart_fixed/results.py diff --git a/tests/test_part_restart_fixed/results_true.dat b/tests/test_particle_restart_fixed/results_true.dat similarity index 100% rename from tests/test_part_restart_fixed/results_true.dat rename to tests/test_particle_restart_fixed/results_true.dat diff --git a/tests/test_part_restart_fixed/settings.xml b/tests/test_particle_restart_fixed/settings.xml similarity index 100% rename from tests/test_part_restart_fixed/settings.xml rename to tests/test_particle_restart_fixed/settings.xml diff --git a/tests/test_part_restart_fixed/test_part_restart_fixed.py b/tests/test_particle_restart_fixed/test_particle_restart_fixed.py similarity index 100% rename from tests/test_part_restart_fixed/test_part_restart_fixed.py rename to tests/test_particle_restart_fixed/test_particle_restart_fixed.py From e6e4898045adc982d4a7e4b89d0818bb8eb7107b Mon Sep 17 00:00:00 2001 From: Jon Walsh Date: Sat, 9 Aug 2014 20:18:38 -0600 Subject: [PATCH 084/187] use linked list to find multiple instances of a single nuclide --- src/ace.F90 | 28 ++++++++++++++++++++++++++++ src/ace_header.F90 | 4 ++++ src/cross_section.F90 | 32 +++++++++++++++++++++----------- src/initialize.F90 | 5 ++++- 4 files changed, 57 insertions(+), 12 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index adff30dbeb..58f7fd5707 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -7,6 +7,7 @@ module ace use error, only: fatal_error, warning use fission, only: nu_total use global + use list_header, only: ListElemInt use material_header, only: Material use output, only: write_message use set_header, only: SetChar @@ -1428,4 +1429,31 @@ contains end function get_real +!=============================================================================== +! SAME_NUCLIDE_LIST creates a linked list for each nuclide containing the +! indices in the nuclides array of all other instances of that nuclide. For +! example, the same nuclide may exist at multiple temperatures resulting +! in multiple entries in the nuclides array for a single zaid number. +!=============================================================================== + + subroutine same_nuclide_list() + + integer :: i ! index in nuclides array + integer :: j ! index in nuclides array + type(ListElemInt), pointer :: nuc_list => null() ! pointer to nuclide list + + do i = 1, n_nuclides_total + allocate(nuclides(i) % nuc_list) + nuc_list => nuclides(i) % nuc_list + do j = 1, n_nuclides_total + if (nuclides(i) % zaid == nuclides(j) % zaid) then + nuc_list % data = j + allocate(nuc_list % next) + nuc_list => nuc_list % next + end if + end do + end do + + end subroutine same_nuclide_list + end module ace diff --git a/src/ace_header.F90 b/src/ace_header.F90 index fe645683be..2067030c1e 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -2,6 +2,7 @@ module ace_header use constants, only: MAX_FILE_LEN use endf_header, only: Tab1 + use list_header, only: ListElemInt implicit none @@ -95,6 +96,9 @@ module ace_header real(8) :: awr ! weight of nucleus in neutron masses real(8) :: kT ! temperature in MeV (k*T) + ! Linked list of indices in nuclides array of instances of this same nuclide + type(ListElemInt), pointer :: nuc_list => null() + ! Energy grid information integer :: n_grid ! # of nuclide grid points integer, allocatable :: grid_index(:) ! pointers to union grid diff --git a/src/cross_section.F90 b/src/cross_section.F90 index cb97e5512a..cc810dc5e6 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -5,6 +5,7 @@ module cross_section use error, only: fatal_error use fission, only: nu_total use global + use list_header, only: ListElemInt use material_header, only: Material use particle_header, only: Particle use random_lcg, only: prn @@ -349,9 +350,11 @@ contains real(8) :: capture ! (n,gamma) cross section real(8) :: fission ! fission cross section real(8) :: inelastic ! inelastic cross section - type(UrrData), pointer, save :: urr => null() - type(Nuclide), pointer, save :: nuc => null() - type(Reaction), pointer, save :: rxn => null() + logical :: same_nuc ! do we know the xs for this nuclide at this energy? + type(UrrData), pointer, save :: urr => null() + type(Nuclide), pointer, save :: nuc => null() + type(Reaction), pointer, save :: rxn => null() + type(ListElemInt), pointer :: nuc_list => null() !$omp threadprivate(urr, nuc, rxn) micro_xs(i_nuclide) % use_ptable = .true. @@ -373,15 +376,22 @@ contains ! sample probability table using the cumulative distribution - ! (if we're dealing with an isotope that we've previously encountered at + ! if we're dealing with a nuclide that we've previously encountered at ! this energy but a different temperature, use the original random number to - ! preserve correlation of temperature in probability tables) - if (E /= ZERO .and. & - & minval(dble(abs(nuclides(:) % zaid - nuclides(i_nuclide) % zaid)) & - & + abs(micro_xs(:) % last_E - E)) == ZERO) then - r = micro_xs(minloc(dble(abs(nuclides(:) % zaid & - & - nuclides(i_nuclide) % zaid)) + abs(micro_xs(:) % last_E & - & - E),1)) % last_prn + ! preserve correlation of temperature in probability tables + same_nuc = .false. + nuc_list => nuc % nuc_list + do + if (E /= ZERO .and. E == micro_xs(nuc_list % data) % last_E) then + same_nuc = .true. + exit + end if + nuc_list => nuc_list % next + if (.not. associated(nuc_list % next)) exit + end do + + if (same_nuc) then + r = micro_xs(nuc_list % data) % last_prn else r = prn() micro_xs(i_nuclide) % last_prn = r diff --git a/src/initialize.F90 b/src/initialize.F90 index c14a8a02a7..a5c64101f9 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -1,6 +1,6 @@ module initialize - use ace, only: read_xs + use ace, only: read_xs, same_nuclide_list use bank_header, only: Bank use constants use dict_header, only: DictIntInt, ElemKeyValueII @@ -104,6 +104,9 @@ contains call read_xs() call time_read_xs % stop() + ! Create linked lists for multiple instances of the same nuclide + call same_nuclide_list() + ! Construct unionized energy grid from cross-sections if (grid_method == GRID_UNION) then call time_unionize % start() From 251f71deeb7b7947802345a5b8c53e646cad96f8 Mon Sep 17 00:00:00 2001 From: Jon Walsh Date: Sat, 9 Aug 2014 21:26:22 -0600 Subject: [PATCH 085/187] make the linked list threadprivate --- src/cross_section.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 23df55acd5..18a23a6b0f 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -356,7 +356,7 @@ contains type(Nuclide), pointer, save :: nuc => null() type(Reaction), pointer, save :: rxn => null() type(ListElemInt), pointer :: nuc_list => null() -!$omp threadprivate(urr, nuc, rxn) +!$omp threadprivate(urr, nuc, rxn, nuc_list) micro_xs(i_nuclide) % use_ptable = .true. From 45f14cda99de7e007cd8c55e1f1a3bb3670a2ed6 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 12 Aug 2014 20:02:03 -0400 Subject: [PATCH 086/187] Fix metastable isotopes and Am-242 in cross_sections_nndc.xml. --- data/cross_sections_nndc.xml | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/data/cross_sections_nndc.xml b/data/cross_sections_nndc.xml index 2e421d7ab0..1a2615964d 100644 --- a/data/cross_sections_nndc.xml +++ b/data/cross_sections_nndc.xml @@ -64,7 +64,7 @@ - + @@ -157,7 +157,7 @@ - + @@ -166,7 +166,7 @@ - + @@ -195,9 +195,9 @@ - + - + @@ -255,7 +255,7 @@ - + @@ -292,7 +292,7 @@ - + @@ -387,11 +387,11 @@ - - + + - + @@ -421,7 +421,7 @@ - + From a2a0c2023196e308e292511c2460fb4a855e9f42 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 12 Aug 2014 20:35:38 -0400 Subject: [PATCH 087/187] Fix some metastables in cross_sections_serpent.xml. --- data/cross_sections_serpent.xml | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/data/cross_sections_serpent.xml b/data/cross_sections_serpent.xml index 230dcc92bf..9597903090 100644 --- a/data/cross_sections_serpent.xml +++ b/data/cross_sections_serpent.xml @@ -453,12 +453,12 @@ - - - - - - + + + + + + @@ -2422,12 +2422,12 @@ - - - - - - + + + + + + From 7ac0a72200f6d093322fd82a106a1e8acd76560c Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 13 Aug 2014 19:38:44 -0400 Subject: [PATCH 088/187] Fix restart for test_particle_restart (missed this when merging walshjon:band-samp). --- src/CMakeLists.txt | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 0025ba79e7..6db242a090 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -167,28 +167,28 @@ if(petsc) list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_FLAPACK_LIB}) endif() - # If libdl wasn't found, search /usr/lib64 + # If libdl wasn't found, search /usr/lib64 if(PETSC_DL_LIB STREQUAL "PETSC_DL_LIB-NOTFOUND") find_library(PETSC_DL_LIB libdl.so /usr/lib64) list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_DL_LIB-NOTFOUND) list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_DL_LIB}) endif() - # If libm wasn't found, search /usr/lib64 + # If libm wasn't found, search /usr/lib64 if(PETSC_M_LIB STREQUAL "PETSC_M_LIB-NOTFOUND") find_library(PETSC_M_LIB libm.so /usr/lib64) list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_M_LIB-NOTFOUND) list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_M_LIB}) endif() - # If libpthread wasn't found, search /usr/lib64 + # If libpthread wasn't found, search /usr/lib64 if(PETSC_PTHREAD_LIB STREQUAL "PETSC_PTHREAD_LIB-NOTFOUND") find_library(PETSC_PTHREAD_LIB libpthread.so /usr/lib64) list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_PTHREAD_LIB-NOTFOUND) list(INSERT PETSC_PACKAGE_LIBS 0 ${PETSC_PTHREAD_LIB}) endif() - # If librt wasn't found, search /usr/lib64 + # If librt wasn't found, search /usr/lib64 if(PETSC_RT_LIB STREQUAL "PETSC_RT_LIB-NOTFOUND") find_library(PETSC_RT_LIB librt.so /usr/lib64) list(REMOVE_ITEM PETSC_PACKAGE_LIBS PETSC_RT_LIB-NOTFOUND) @@ -213,7 +213,7 @@ execute_process(COMMAND git rev-parse HEAD if(GIT_SHA1_SUCCESS EQUAL 0) add_definitions(-DGIT_SHA1="${GIT_SHA1}") endif() - + #=============================================================================== # FoX Fortran XML Library #=============================================================================== @@ -300,7 +300,7 @@ foreach(test ${TESTS}) # Get test information get_filename_component(TEST_NAME ${test} NAME) - get_filename_component(TEST_PATH ${test} PATH) + get_filename_component(TEST_PATH ${test} PATH) # Check for running standard tests (no valgrind, no gcov) if(NOT ${MEM_CHECK} AND NOT ${COVERAGE}) @@ -309,15 +309,15 @@ foreach(test ${TESTS}) if (${MPI_ENABLED}) # Preform a parallel test - add_test(NAME ${TEST_NAME} - WORKING_DIRECTORY ${TEST_PATH} + add_test(NAME ${TEST_NAME} + WORKING_DIRECTORY ${TEST_PATH} COMMAND ${PYTHON_EXECUTABLE} ${TEST_NAME} --exe $ --mpi_exec $ENV{MPI_DIR}/bin/mpiexec) else(${MPI_ENABLED}) # Perform a serial test - add_test(NAME ${TEST_NAME} + add_test(NAME ${TEST_NAME} WORKING_DIRECTORY ${TEST_PATH} COMMAND ${PYTHON_EXECUTABLE} ${TEST_NAME} --exe $) @@ -346,7 +346,7 @@ foreach(test ${TESTS}) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.07.h5 source.07.h5) elseif(${test} MATCHES "test_particle_restart") - set(RESTART_FILE particle_12_192.h5) + set(RESTART_FILE particle_12_885.h5) else(${test} MATCHES "test_statepoint_restart") message(FATAL_ERROR "Restart test ${test} not recognized") endif(${test} MATCHES "test_statepoint_restart") @@ -359,7 +359,7 @@ foreach(test ${TESTS}) elseif(${test} MATCHES "test_sourcepoint_restart") set(RESTART_FILE statepoint.07.binary source.07.binary) elseif(${test} MATCHES "test_particle_restart") - set(RESTART_FILE particle_12_192.binary) + set(RESTART_FILE particle_12_885.binary) else(${test} MATCHES "test_statepoint_restart") message(FATAL_ERROR "Restart test ${test} not recognized") endif(${test} MATCHES "test_statepoint_restart") From bb8a95b3f1cca5311e20c6094bda296be9a1e118 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:22:00 -0400 Subject: [PATCH 089/187] Added capability to plot meshlines --- src/input_xml.F90 | 65 ++++++++++++++++++++++++- src/plot.F90 | 114 +++++++++++++++++++++++++++++++++++++++++--- src/plot_header.F90 | 2 + 3 files changed, 174 insertions(+), 7 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 1869b9709d..3f61f8d764 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -2683,7 +2683,7 @@ contains subroutine read_plots_xml() integer i, j - integer n_cols, col_id, n_comp, n_masks + integer n_cols, col_id, n_comp, n_masks, n_meshlines integer, allocatable :: iarray(:) logical :: file_exists ! does plots.xml file exist? character(MAX_LINE_LEN) :: filename ! absolute path to plots.xml @@ -2693,9 +2693,11 @@ contains type(Node), pointer :: node_plot => null() type(Node), pointer :: node_col => null() type(Node), pointer :: node_mask => null() + type(Node), pointer :: node_meshlines => null() type(NodeList), pointer :: node_plot_list => null() type(NodeList), pointer :: node_col_list => null() type(NodeList), pointer :: node_mask_list => null() + type(NodeList), pointer :: node_meshline_list => null() ! Check if plots.xml exists filename = trim(path_input) // "plots.xml" @@ -2947,6 +2949,67 @@ contains end do end if + ! Deal with meshlines + call get_node_list(node_plot, "meshlines", node_meshline_list) + n_meshlines = get_list_size(node_meshline_list) + if (n_meshlines /= 0) then + + if (pl % type == PLOT_TYPE_VOXEL) then + message = "Meshlines ignored in voxel plot " // & + trim(to_str(pl % id)) + call warning() + end if + + select case(n_meshlines) + case default + message = "Mutliple meshlines" // & + " specified in plot " // trim(to_str(pl % id)) + call fatal_error() + case (0) + case (1) + + ! Get pointer to meshlines + call get_list_item(node_meshline_list, 1, node_meshlines) + + ! Ensure that there is a mesh id for this meshlines specification + if (check_for_node(node_meshlines, "mesh")) then + call get_node_value(node_meshlines, "mesh", pl % meshlines_id) + else + message = "Must specify a mesh id for meshlines " // & + "specification in plot " // trim(to_str(pl % id)) + call fatal_error() + end if + + ! Ensure that there is a linewidth for this meshlines specification + if (check_for_node(node_meshlines, "linewidth")) then + call get_node_value(node_meshlines, "linewidth", & + pl % meshlines_width) + else + message = "Must specify a linewidth for meshlines " // & + "specification in plot " // trim(to_str(pl % id)) + call fatal_error() + end if + + ! Check if the specified tally mesh exists + if (mesh_dict % has_key(pl % meshlines_id)) then + pl % meshlines_id = mesh_dict % get_key(pl % meshlines_id) + if (meshes(pl % meshlines_id) % type /= LATTICE_RECT) then + message = "Non-rectangular mesh specified in meshlines for" // & + " plot " // trim(to_str(pl % id)) + call fatal_error() + end if + else + message = "Could not find tally mesh " // & + trim(to_str(pl % meshlines_id)) // & + " specified in meshlines for plot " // & + trim(to_str(pl % id)) + call fatal_error() + end if + + end select + + end if + ! Deal with masks call get_node_list(node_plot, "mask", node_mask_list) n_masks = get_list_size(node_mask_list) diff --git a/src/plot.F90 b/src/plot.F90 index e7642314f9..842b1c089f 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -5,6 +5,7 @@ module plot use geometry, only: find_cell, check_cell_overlap use geometry_header, only: Cell, BASE_UNIVERSE use global + use mesh, only: get_mesh_indices use output, only: write_message use particle_header, only: deallocate_coord, Particle use plot_header @@ -118,27 +119,24 @@ contains call init_image(img) call allocate_image(img, pl % pixels(1), pl % pixels(2)) + in_pixel = pl % width(1)/dble(pl % pixels(1)) + out_pixel = pl % width(2)/dble(pl % pixels(2)) + if (pl % basis == PLOT_BASIS_XY) then in_i = 1 out_i = 2 - in_pixel = pl % width(1)/dble(pl % pixels(1)) - out_pixel = pl % width(2)/dble(pl % pixels(2)) xyz(1) = pl % origin(1) - pl % width(1) / 2.0 xyz(2) = pl % origin(2) + pl % width(2) / 2.0 xyz(3) = pl % origin(3) else if (pl % basis == PLOT_BASIS_XZ) then in_i = 1 out_i = 3 - in_pixel = pl % width(1)/dble(pl % pixels(1)) - out_pixel = pl % width(2)/dble(pl % pixels(2)) xyz(1) = pl % origin(1) - pl % width(1) / 2.0 xyz(2) = pl % origin(2) xyz(3) = pl % origin(3) + pl % width(2) / 2.0 else if (pl % basis == PLOT_BASIS_YZ) then in_i = 2 out_i = 3 - in_pixel = pl % width(1)/dble(pl % pixels(1)) - out_pixel = pl % width(2)/dble(pl % pixels(2)) xyz(1) = pl % origin(1) xyz(2) = pl % origin(2) - pl % width(1) / 2.0 xyz(3) = pl % origin(3) + pl % width(2) / 2.0 @@ -169,6 +167,9 @@ contains p % coord0 % xyz(out_i) = p % coord0 % xyz(out_i) - out_pixel end do + ! Draw tally mesh boundaries on the image if requested + if (pl % meshlines_id > 0) call draw_mesh_lines(pl, img) + ! Write out the ppm to a file call output_ppm(pl,img) @@ -180,6 +181,107 @@ contains end subroutine create_ppm +!=============================================================================== +! DRAW_MESH_LINES draws mesh line boundaries on an image +!=============================================================================== + subroutine draw_mesh_lines(pl, img) + + type(ObjectPlot), pointer :: pl + type(Image) :: img + + logical :: in_mesh + integer :: n + integer :: x, y ! pixel location + integer :: xrange(2), yrange(2) ! range of pixel locations + integer :: i, j ! loop indices + integer :: ijk(3) + integer :: plus + integer :: ijk_ll(3) ! mesh bin ijk indicies of plot lower left + integer :: ijk_ur(3) ! mesh bin ijk indicies of plot upper right + real(8) :: frac + real(8) :: width(3) ! real widths of the plot + real(8) :: xyz_ll_plot(3) ! lower left xyz of plot image + real(8) :: xyz_ur_plot(3) ! upper right xyz of plot image + real(8) :: xyz_ll(3) ! lower left xyz + real(8) :: xyz_ur(3) ! upper right xyz + type(StructuredMesh), pointer :: m => null() + + m => meshes(pl % meshlines_id) + n = m % n_dimension + + select case (pl % basis) + case(PLOT_BASIS_XY) + xyz_ll_plot(1) = pl % origin(1) - pl % width(1) / 2.0 + xyz_ll_plot(2) = pl % origin(2) - pl % width(2) / 2.0 + xyz_ll_plot(3) = pl % origin(3) + xyz_ur_plot(1) = pl % origin(1) + pl % width(1) / 2.0 + xyz_ur_plot(2) = pl % origin(2) + pl % width(2) / 2.0 + xyz_ur_plot(3) = pl % origin(3) + + width = xyz_ur_plot - xyz_ll_plot + + call get_mesh_indices(m, xyz_ll_plot, ijk_ll(:m % n_dimension), in_mesh) + call get_mesh_indices(m, xyz_ur_plot, ijk_ur(:m % n_dimension), in_mesh) + + ! sweep through all meshbins on this plane and draw borders + ijk(3) = 0 + do i = ijk_ll(1), ijk_ur(1) + do j = ijk_ll(2), ijk_ur(2) + ! check if we're in the mesh for this ijk + if (i > 0 .and. i <= m % dimension(1) .and. & + j > 0 .and. j <= m % dimension(2)) then + + ! get xyz's of lower left and upper right of this mesh cell + ijk(1) = i + ijk(2) = j + xyz_ll(:m % n_dimension) = & + m % lower_left + m % width * (ijk(:m % n_dimension) - 1) + xyz_ur(:m % n_dimension) = & + m % lower_left + m % width * ijk(:m % n_dimension) + + ! map the xyz to pixel locations + frac = (xyz_ll(1) - xyz_ll_plot(1)) / width(1) + xrange(1) = int(frac * real(img % width,8)) + frac = (xyz_ur(1) - xyz_ll_plot(1)) / width(1) + xrange(2) = int(frac * real(img % width,8)) + + frac = (xyz_ll(2) - xyz_ll_plot(2)) / width(2) + yrange(1) = img % height - int(frac * real(img % height,8)) + frac = (xyz_ur(2) - xyz_ll_plot(2)) / width(2) + yrange(2) = img % height - int(frac * real(img % height,8)) + + ! draw black lines + do x = xrange(1), xrange(2) + do plus = 0, pl % meshlines_width + call set_pixel(img, x, yrange(1) + plus, 0, 0, 0) + call set_pixel(img, x, yrange(2) + plus, 0, 0, 0) + call set_pixel(img, x, yrange(1) - plus, 0, 0, 0) + call set_pixel(img, x, yrange(2) - plus, 0, 0, 0) + end do + end do + do y = yrange(2), yrange(1) + do plus = 0, pl % meshlines_width + call set_pixel(img, xrange(1) + plus, y, 0, 0, 0) + call set_pixel(img, xrange(2) + plus, y, 0, 0, 0) + call set_pixel(img, xrange(1) - plus, y, 0, 0, 0) + call set_pixel(img, xrange(2) - plus, y, 0, 0, 0) + end do + end do + + end if + end do + end do + + case(PLOT_BASIS_XZ) + message = "Meshline plotting currently only implemented for basis xy" + call fatal_error() + case(PLOT_BASIS_YZ) + message = "Meshline plotting currently only implemented for basis xy" + call fatal_error() + end select + + end subroutine draw_mesh_lines + !=============================================================================== ! OUTPUT_PPM writes out a previously generated image to a PPM file !=============================================================================== diff --git a/src/plot_header.F90 b/src/plot_header.F90 index 6956bfaf93..5a301f8809 100644 --- a/src/plot_header.F90 +++ b/src/plot_header.F90 @@ -25,6 +25,8 @@ module plot_header real(8) :: width(3) ! xyz widths of plot integer :: basis ! direction of plot slice integer :: pixels(3) ! pixel width/height of plot slice + integer :: meshlines_id = -1 ! id of the mesh to plot lines of + integer :: meshlines_width ! pixel width of meshlines type(ObjectColor) :: not_found ! color for positions where no cell found type(ObjectColor), allocatable :: colors(:) ! colors of cells/mats end type ObjectPlot From f77bbb2336547b49fc9272c812ac06df8495fca2 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:28:02 -0400 Subject: [PATCH 090/187] Removed unused variable --- src/plot.F90 | 2 -- 1 file changed, 2 deletions(-) diff --git a/src/plot.F90 b/src/plot.F90 index 842b1c089f..25c0c7123a 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -190,7 +190,6 @@ contains type(Image) :: img logical :: in_mesh - integer :: n integer :: x, y ! pixel location integer :: xrange(2), yrange(2) ! range of pixel locations integer :: i, j ! loop indices @@ -207,7 +206,6 @@ contains type(StructuredMesh), pointer :: m => null() m => meshes(pl % meshlines_id) - n = m % n_dimension select case (pl % basis) case(PLOT_BASIS_XY) From 583f73764a5664db3e628fe02de11eaadb315c76 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:31:16 -0400 Subject: [PATCH 091/187] Updated users guide for meshline plotting --- docs/source/usersguide/input.rst | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index c9aa8cc866..290713c35a 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1229,6 +1229,25 @@ attributes or sub-elements. These are not used in "voxel" plots: *Default*: None + :meshlines: + The special ``meshlines`` sub-element allows for plotting the boundaries of + a tally mesh on top of a plot. Only one ``meshlines`` element is allowed per + ``plot`` element, and it must contain as attributes or sub-elements a mesh + id and a linewidth: + + :mesh: + A single integer id number for the mesh specified on ``tallies.xml`` that + should be plotted. + + :linewidth: + A single integer number of pixels to specify the linewidth of the mesh + boundaries. + + *Default*: None + + .. warning:: Meshline plotting is currently only implemented for plots with + an "xy" basis. + ------------------------------ CMFD Specification -- cmfd.xml ------------------------------ From 2ae8fe4e8ae0f00f43e2079a3a66085a00fb5f08 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:45:42 -0400 Subject: [PATCH 092/187] Added commented-out example of meshline plotting --- examples/lattice/simple/plots.xml | 1 + 1 file changed, 1 insertion(+) diff --git a/examples/lattice/simple/plots.xml b/examples/lattice/simple/plots.xml index a8c6fbb7c5..a25a5a8280 100644 --- a/examples/lattice/simple/plots.xml +++ b/examples/lattice/simple/plots.xml @@ -5,6 +5,7 @@ 0. 0. 0. 4.0 4.0 400 400 + From cdcbd277ea8ebea9d441fbd0a24831f76f9143fc Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:46:51 -0400 Subject: [PATCH 093/187] Added support for setting the color of a meshlines plot overlay --- src/input_xml.F90 | 18 ++++++++++++++++++ src/plot.F90 | 21 +++++++++++++-------- src/plot_header.F90 | 1 + 3 files changed, 32 insertions(+), 8 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 3f61f8d764..5d9d54a976 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -2990,6 +2990,24 @@ contains call fatal_error() end if + ! Check for color + if (check_for_node(node_meshlines, "color")) then + + ! Check and make sure 3 values are specified for RGB + if (get_arraysize_double(node_meshlines, "color") /= 3) then + message = "Bad RGB for meshlines color " & + // "in plot " // trim(to_str(pl % id)) + call fatal_error() + end if + + call get_node_array(node_meshlines, "color", & + pl % meshlines_color % rgb) + else + + pl % meshlines_color % rgb = (/ 0, 0, 0 /) + + end if + ! Check if the specified tally mesh exists if (mesh_dict % has_key(pl % meshlines_id)) then pl % meshlines_id = mesh_dict % get_key(pl % meshlines_id) diff --git a/src/plot.F90 b/src/plot.F90 index 25c0c7123a..888b50dff7 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -191,6 +191,7 @@ contains logical :: in_mesh integer :: x, y ! pixel location + integer :: r, g, b ! RGB color for meshlines pixels integer :: xrange(2), yrange(2) ! range of pixel locations integer :: i, j ! loop indices integer :: ijk(3) @@ -207,6 +208,10 @@ contains m => meshes(pl % meshlines_id) + r = pl % meshlines_color % rgb(1) + g = pl % meshlines_color % rgb(2) + b = pl % meshlines_color % rgb(3) + select case (pl % basis) case(PLOT_BASIS_XY) xyz_ll_plot(1) = pl % origin(1) - pl % width(1) / 2.0 @@ -251,18 +256,18 @@ contains ! draw black lines do x = xrange(1), xrange(2) do plus = 0, pl % meshlines_width - call set_pixel(img, x, yrange(1) + plus, 0, 0, 0) - call set_pixel(img, x, yrange(2) + plus, 0, 0, 0) - call set_pixel(img, x, yrange(1) - plus, 0, 0, 0) - call set_pixel(img, x, yrange(2) - plus, 0, 0, 0) + call set_pixel(img, x, yrange(1) + plus, r, g, b) + call set_pixel(img, x, yrange(2) + plus, r, g, b) + call set_pixel(img, x, yrange(1) - plus, r, g, b) + call set_pixel(img, x, yrange(2) - plus, r, g, b) end do end do do y = yrange(2), yrange(1) do plus = 0, pl % meshlines_width - call set_pixel(img, xrange(1) + plus, y, 0, 0, 0) - call set_pixel(img, xrange(2) + plus, y, 0, 0, 0) - call set_pixel(img, xrange(1) - plus, y, 0, 0, 0) - call set_pixel(img, xrange(2) - plus, y, 0, 0, 0) + call set_pixel(img, xrange(1) + plus, y, r, g, b) + call set_pixel(img, xrange(2) + plus, y, r, g, b) + call set_pixel(img, xrange(1) - plus, y, r, g, b) + call set_pixel(img, xrange(2) - plus, y, r, g, b) end do end do diff --git a/src/plot_header.F90 b/src/plot_header.F90 index 5a301f8809..e66bf9077e 100644 --- a/src/plot_header.F90 +++ b/src/plot_header.F90 @@ -27,6 +27,7 @@ module plot_header integer :: pixels(3) ! pixel width/height of plot slice integer :: meshlines_id = -1 ! id of the mesh to plot lines of integer :: meshlines_width ! pixel width of meshlines + type(ObjectColor) :: meshlines_color ! Color for meshlines type(ObjectColor) :: not_found ! color for positions where no cell found type(ObjectColor), allocatable :: colors(:) ! colors of cells/mats end type ObjectPlot From cdcfa22c51679acc1aa7bc3aa724b7471a9215ad Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Wed, 20 Aug 2014 10:51:44 -0400 Subject: [PATCH 094/187] Updated plot documentation for colored meshlines --- docs/source/usersguide/input.rst | 16 ++++++++++++---- 1 file changed, 12 insertions(+), 4 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 290713c35a..fcb979614e 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1189,7 +1189,7 @@ attributes or sub-elements. These are not used in "voxel" plots: Specifies the RGB color of the regions where no OpenMC cell can be found. Should be three integers separated by spaces. - *Default*: 0 0 0 (white) + *Default*: 0 0 0 (black) :col_spec: Any number of this optional tag may be included in each ```` element, @@ -1233,15 +1233,23 @@ attributes or sub-elements. These are not used in "voxel" plots: The special ``meshlines`` sub-element allows for plotting the boundaries of a tally mesh on top of a plot. Only one ``meshlines`` element is allowed per ``plot`` element, and it must contain as attributes or sub-elements a mesh - id and a linewidth: + id and a linewidth, as well as an optional color: :mesh: A single integer id number for the mesh specified on ``tallies.xml`` that should be plotted. :linewidth: - A single integer number of pixels to specify the linewidth of the mesh - boundaries. + A single integer number of pixels of linewidth to specify for the mesh + boundaries. Specifying this as 0 indicates that lines will be 1 pixel + thick, specifying 1 indicates 3 pixels thick, specifying 2 indicates + 5 pixels thick, etc. + + :color: + Specifies the custom color for the meshlines boundaries. Should be 3 + integers separated by spaces. This element is optional. + + *Default*: 0 0 0 (black) *Default*: None From 439d05bd4269e4fdfc950427606a84f79dc993e1 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 20 Aug 2014 23:03:41 -0400 Subject: [PATCH 095/187] Remove eigenfunction_rms.py script. --- src/utils/eigenfunction_rms.py | 161 --------------------------------- 1 file changed, 161 deletions(-) delete mode 100644 src/utils/eigenfunction_rms.py diff --git a/src/utils/eigenfunction_rms.py b/src/utils/eigenfunction_rms.py deleted file mode 100644 index b0883d8dbb..0000000000 --- a/src/utils/eigenfunction_rms.py +++ /dev/null @@ -1,161 +0,0 @@ -#!/usr/bin/env python - -from __future__ import print_function - -import os -import sys - -import numpy as np - -import statepoint - -def main(tally_id, score_id, batch_start, batch_end, name): - # read in statepoint header data - sp = statepoint.StatePoint('statepoint.ref.binary') - - # read in results - sp.read_results() - - # extract reference mean - mean_ref = extract_mean(sp, tally_id, score_id) - - # write gnuplot file - write_src_gnuplot('testsrc_pin','Pin mesh',mean_ref,np.size(mean_ref,0)) - - # preallocate arrays - hists = np.zeros(batch_end - batch_start + 1) - norms = np.zeros(batch_end - batch_start + 1) - - i = batch_start - while i <= batch_end: - - # process statepoint - sp = statepoint.StatePoint('statepoint.'+str(i)+'.binary') - sp.read_results() - - # extract mean - mean = extract_mean(sp, tally_id, score_id) - - # calculate L2 norm - norm = np.linalg.norm(mean - mean_ref) - - # get history information - n_inactive = sp.n_inactive - current_batch = sp.current_batch - n_particles = sp.n_particles - gen_per_batch = sp.gen_per_batch - n_histories = (current_batch - n_inactive)*n_particles*gen_per_batch - - # batch in vectors - hists[i - batch_start] = n_histories - norms[i - batch_start] = norm - - # print - print('Batch: {0} Histories: {1} Norm: {2}'.format(i, n_histories, norm)) - - i += 1 - - # write out gnuplot file - write_norm_gnuplot(name,hists,norms,np.size(hists)) - -def extract_mean(sp, tally_id,score_id): - - # extract results - results = sp.extract_results(tally_id,score_id) - - # extract means and copy - mean = results['mean'].copy() - - # reshape and integrate over energy - mean = mean.reshape(results['bin_max'],order='F') - mean = np.sum(mean,0) - mean = np.sum(mean,0) - mean = mean/mean.sum()*(mean > 1.e-8).sum() - - return mean - -def write_norm_gnuplot(path,xdat,ydat,size): - - # Header String for GNUPLOT - headerstr = """#!/usr/bin/env gnuplot - -set terminal pdf enhanced -set output '{output}' -set ylabel 'L-2 norm' -set xlabel 'Histories' -set log x -set log y -""".format(output=path+'.pdf') - - # Write out the plot string - pltstr = "plot '-' using 1:2 with lines" - - # Write out the data string - i = 0 - datastr = '' - while i < size: - datastr = datastr + '{0} {1}\n'.format(xdat[i],ydat[i]) - i += 1 - - # Concatenate all - outstr = headerstr + '\n' + pltstr + '\n' + datastr - - # Write File - with open(path+".plot",'w') as f: - f.write(outstr) - - # Run GNUPLOT - os.system('gnuplot ' + path+".plot") - -def write_src_gnuplot(path,name,src,size): - - # Header String for GNUPLOT - headerstr = """#!/usr/bin/env gnuplot - -set terminal pdf enhanced -set output '{output}' -set palette defined (0 '#000090', 1 '#000fff', 2 '#0090ff', 3 '#0fffee', 4 '#90ff70', 5 '#ffee00', 6 '#ff7000', 7 '#ee0000', 8 '#7f0000') -set view map -set size ratio -1 -set lmargin at screen 0.10 -set rmargin at screen 0.90 -set bmargin at screen 0.15 -set tmargin at screen 0.90 -unset xtics -unset ytics -set title '{title}'""".format(output=path+'.pdf',title=name) - - # Write out the plot string - pltstr = "splot '-' matrix with image " - - # Write out the data string - i = 0 - datastr = '' - while i < size: - j = 0 - while j < size: - datastr = datastr + '{0} '.format(src[i,j][0]) - j += 1 - datastr = datastr + '\n' - i += 1 - - # replace all nan with zero - datastr = datastr.replace('nan','0.0') - - # Concatenate all - outstr = headerstr + '\n' + pltstr + '\n' + datastr - - # Write File - with open(path+".plot",'w') as f: - f.write(outstr) - - # Run GNUPLOT - os.system('gnuplot ' + path+".plot") - -if __name__ == "__main__": - tally_id = int(sys.argv[1]) - score_id = sys.argv[2] - batch_start = int(sys.argv[3]) - batch_end = int(sys.argv[4]) - name = sys.argv[5] - main(tally_id, score_id, batch_start, batch_end, name) From 909913e250f19deb0d08b09ddaab0d67ccb2c25b Mon Sep 17 00:00:00 2001 From: Will Boyd Date: Thu, 21 Aug 2014 01:09:59 -0400 Subject: [PATCH 096/187] Fixed small bug in test_tally_assumesep --- tests/test_tally_assumesep/results.py | 2 +- tests/test_tally_assumesep/results_true.dat | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/test_tally_assumesep/results.py b/tests/test_tally_assumesep/results.py index 4890ea4951..3cba794205 100644 --- a/tests/test_tally_assumesep/results.py +++ b/tests/test_tally_assumesep/results.py @@ -23,7 +23,7 @@ results2 = sp.tallies[1].results shape2 = results2.shape size2 = (np.product(shape2)) results2 = np.reshape(results2, size2) -results3 = sp.tallies[1].results +results3 = sp.tallies[2].results shape3 = results3.shape size3 = (np.product(shape3)) results3 = np.reshape(results3, size3) diff --git a/tests/test_tally_assumesep/results_true.dat b/tests/test_tally_assumesep/results_true.dat index eb3c57a421..5fae2a1eb9 100644 --- a/tests/test_tally_assumesep/results_true.dat +++ b/tests/test_tally_assumesep/results_true.dat @@ -7,5 +7,5 @@ tally 2: 3.372300E+00 2.331937E+00 tally 3: -3.372300E+00 -2.331937E+00 +4.802737E+01 +4.730991E+02 From 2a8c07e0d9f0339870e93080ce64901275620fcb Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 26 Aug 2014 00:44:19 -0400 Subject: [PATCH 097/187] Check for proton, deuteron, triton, 3he, and alpha level cross sections with no redundant total. --- src/ace.F90 | 38 +++++++++++++++++++++++++++++++------- 1 file changed, 31 insertions(+), 7 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 58f7fd5707..cc274d6790 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -3,11 +3,11 @@ module ace use ace_header, only: Nuclide, Reaction, SAlphaBeta, XsListing, & DistEnergy use constants - use endf, only: reaction_name + use endf, only: reaction_name, is_fission use error, only: fatal_error, warning use fission, only: nu_total use global - use list_header, only: ListElemInt + use list_header, only: ListElemInt, ListInt use material_header, only: Material use output, only: write_message use set_header, only: SetChar @@ -610,6 +610,7 @@ contains integer :: IE ! reaction's starting index on energy grid integer :: NE ! number of energies for reaction type(Reaction), pointer :: rxn => null() + type(ListInt) :: MTs LMT = JXS(3) JXS4 = JXS(4) @@ -682,17 +683,38 @@ contains allocate(rxn % sigma(NE)) XSS_index = JXS7 + LOCA + 1 rxn % sigma = get_real(NE) + end do + + ! Create set of MT values + do i = 1, size(nuc % reactions) + call MTs % append(nuc % reactions(i) % MT) + end do + + ! Create total, absorption, and fission cross sections + do i = 2, size(nuc % reactions) + rxn => nuc % reactions(i) + IE = rxn % threshold + NE = size(rxn % sigma) ! Skip redundant reactions -- this includes total inelastic level ! scattering, gas production cross sections (MT=200+), and (n,p), (n,d), ! etc. reactions leaving the nucleus in an excited state - if (rxn % MT == N_LEVEL .or. rxn % MT > N_DA) cycle + if (rxn % MT == N_LEVEL) cycle + if (rxn % MT > 200 .and. rxn % MT < 600) cycle + + ! Skip level cross sections if total is available + if (rxn % MT >= 600 .and. rxn % MT < 650 .and. MTs % contains(N_P)) cycle + if (rxn % MT >= 650 .and. rxn % MT < 700 .and. MTs % contains(N_D)) cycle + if (rxn % MT >= 700 .and. rxn % MT < 750 .and. MTs % contains(N_T)) cycle + if (rxn % MT >= 750 .and. rxn % MT < 800 .and. MTs % contains(N_3HE)) cycle + if (rxn % MT >= 800 .and. rxn % MT < 850 .and. MTs % contains(N_A)) cycle ! Add contribution to total cross section nuc % total(IE:IE+NE-1) = nuc % total(IE:IE+NE-1) + rxn % sigma ! Add contribution to absorption cross section - if (rxn % MT >= N_GAMMA .and. rxn % MT <= N_DA) then + if ((rxn % MT >= N_GAMMA .and. rxn % MT <= N_DA) .or. & + (rxn % MT >= 600 .and. rxn % MT < 850)) then nuc % absorption(IE:IE+NE-1) = nuc % absorption(IE:IE+NE-1) + rxn % sigma end if @@ -705,8 +727,7 @@ contains end if ! Add contribution to fission cross section - if (rxn % MT == N_FISSION .or. rxn % MT == N_F .or. rxn % MT == N_NF & - .or. rxn % MT == N_2NF .or. rxn % MT == N_3NF) then + if (is_fission(rxn % MT)) then nuc % fissionable = .true. nuc % fission(IE:IE+NE-1) = nuc % fission(IE:IE+NE-1) + rxn % sigma @@ -719,11 +740,14 @@ contains ! Keep track of this reaction for easy searching later i_fission = i_fission + 1 - nuc % index_fission(i_fission) = i + 1 + nuc % index_fission(i_fission) = i nuc % n_fission = nuc % n_fission + 1 end if end do + ! Clear MTs set + call MTs % clear() + end subroutine read_reactions !=============================================================================== From ed5480173a5bdc54215510775ec2dc9fc2e433a4 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 26 Aug 2014 01:15:01 -0400 Subject: [PATCH 098/187] Expand list of reaction MTs that are checked. --- src/ace.F90 | 23 ++++++++-------- src/constants.F90 | 70 +++++++++++++++-------------------------------- src/endf.F90 | 26 ++++++++++++++++-- 3 files changed, 57 insertions(+), 62 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index cc274d6790..9c088693de 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -3,7 +3,7 @@ module ace use ace_header, only: Nuclide, Reaction, SAlphaBeta, XsListing, & DistEnergy use constants - use endf, only: reaction_name, is_fission + use endf, only: reaction_name, is_fission, is_disappearance use error, only: fatal_error, warning use fission, only: nu_total use global @@ -696,25 +696,24 @@ contains IE = rxn % threshold NE = size(rxn % sigma) - ! Skip redundant reactions -- this includes total inelastic level - ! scattering, gas production cross sections (MT=200+), and (n,p), (n,d), - ! etc. reactions leaving the nucleus in an excited state + ! Skip total inelastic level scattering, gas production cross sections + ! (MT=200+), etc. if (rxn % MT == N_LEVEL) cycle - if (rxn % MT > 200 .and. rxn % MT < 600) cycle + if (rxn % MT > N_5N2P .and. rxn % MT < N_P0) cycle ! Skip level cross sections if total is available - if (rxn % MT >= 600 .and. rxn % MT < 650 .and. MTs % contains(N_P)) cycle - if (rxn % MT >= 650 .and. rxn % MT < 700 .and. MTs % contains(N_D)) cycle - if (rxn % MT >= 700 .and. rxn % MT < 750 .and. MTs % contains(N_T)) cycle - if (rxn % MT >= 750 .and. rxn % MT < 800 .and. MTs % contains(N_3HE)) cycle - if (rxn % MT >= 800 .and. rxn % MT < 850 .and. MTs % contains(N_A)) cycle + if (rxn % MT >= N_P0 .and. rxn % MT <= N_PC .and. MTs % contains(N_P)) cycle + if (rxn % MT >= N_D0 .and. rxn % MT <= N_DC .and. MTs % contains(N_D)) cycle + if (rxn % MT >= N_T0 .and. rxn % MT <= N_TC .and. MTs % contains(N_T)) cycle + if (rxn % MT >= N_3HE0 .and. rxn % MT <= N_3HEC .and. MTs % contains(N_3HE)) cycle + if (rxn % MT >= N_A0 .and. rxn % MT <= N_AC .and. MTs % contains(N_A)) cycle + if (rxn % MT >= N_2N0 .and. rxn % MT <= N_2NC .and. MTs % contains(N_2N)) cycle ! Add contribution to total cross section nuc % total(IE:IE+NE-1) = nuc % total(IE:IE+NE-1) + rxn % sigma ! Add contribution to absorption cross section - if ((rxn % MT >= N_GAMMA .and. rxn % MT <= N_DA) .or. & - (rxn % MT >= 600 .and. rxn % MT < 850)) then + if (is_disappearance(rxn % MT)) then nuc % absorption(IE:IE+NE-1) = nuc % absorption(IE:IE+NE-1) + rxn % sigma end if diff --git a/src/constants.F90 b/src/constants.F90 index 94edd9d2a2..75814049db 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -166,54 +166,28 @@ module constants ! Reaction types integer, parameter :: & - TOTAL_XS = 1, & - ELASTIC = 2, & - N_LEVEL = 4, & - MISC = 5, & - N_2ND = 11, & - N_2N = 16, & - N_3N = 17, & - N_FISSION = 18, & - N_F = 19, & - N_NF = 20, & - N_2NF = 21, & - N_NA = 22, & - N_N3A = 23, & - N_2NA = 24, & - N_3NA = 25, & - N_NP = 28, & - N_N2A = 29, & - N_2N2A = 30, & - N_ND = 32, & - N_NT = 33, & - N_N3HE = 34, & - N_ND2A = 35, & - N_NT2A = 36, & - N_4N = 37, & - N_3NF = 38, & - N_2NP = 41, & - N_3NP = 42, & - N_N2P = 44, & - N_NPA = 45, & - N_N1 = 51, & - N_N40 = 90, & - N_NC = 91, & - N_DISAPPEAR = 101, & - N_GAMMA = 102, & - N_P = 103, & - N_D = 104, & - N_T = 105, & - N_3HE = 106, & - N_A = 107, & - N_2A = 108, & - N_3A = 109, & - N_2P = 111, & - N_PA = 112, & - N_T2A = 113, & - N_D2A = 114, & - N_PD = 115, & - N_PT = 116, & - N_DA = 117 + TOTAL_XS = 1, ELASTIC = 2, N_LEVEL = 4, MISC = 5, N_2ND = 11, & + N_2N = 16, N_3N = 17, N_FISSION = 18, N_F = 19, N_NF = 20, & + N_2NF = 21, N_NA = 22, N_N3A = 23, N_2NA = 24, N_3NA = 25, & + N_NP = 28, N_N2A = 29, N_2N2A = 30, N_ND = 32, N_NT = 33, & + N_N3HE = 34, N_ND2A = 35, N_NT2A = 36, N_4N = 37, N_3NF = 38, & + N_2NP = 41, N_3NP = 42, N_N2P = 44, N_NPA = 45, N_N1 = 51, & + N_N40 = 90, N_NC = 91, N_DISAPPEAR = 101, N_GAMMA = 102, N_P = 103, & + N_D = 104, N_T = 105, N_3HE = 106, N_A = 107, N_2A = 108, & + N_3A = 109, N_2P = 111, N_PA = 112, N_T2A = 113, N_D2A = 114, & + N_PD = 115, N_PT = 116, N_DA = 117, N_5N = 152, N_6N = 153, & + N_2NT = 154, N_TA = 155, N_4NP = 156, N_3ND = 157, N_NDA = 158, & + N_2NPA = 159, N_7N = 160, N_8N = 161, N_5NP = 162, N_6NP = 163, & + N_7NP = 164, N_4NA = 165, N_5NA = 166, N_6NA = 167, N_7NA = 168, & + N_4ND = 169, N_5ND = 170, N_6ND = 171, N_3NT = 172, N_4NT = 173, & + N_5NT = 174, N_6NT = 175, N_2N3HE = 176, N_3N3HE = 177, N_4N3HE = 178, & + N_3N2P = 179, N_3N3A = 180, N_3NPA = 181, N_DT = 182, N_NPD = 183, & + N_NPT = 184, N_NDT = 185, N_NP3HE = 186, N_ND3HE = 187, N_NT3HE = 188, & + N_NTA = 189, N_2N2P = 190, N_P3HE = 191, N_D3HE = 192, N_3HEA = 193, & + N_4N2P = 194, N_4N2A = 195, N_4NPA = 196, N_3P = 197, N_N3P = 198, & + N_3N2PA = 199, N_5N2P = 200, N_P0 = 600, N_PC = 649, N_D0 = 650, & + N_DC = 699, N_T0 = 700, N_TC = 749, N_3HE0 = 750, N_3HEC = 799, & + N_A0 = 800, N_AC = 849, N_2N0 = 875, N_2NC = 891 ! ACE table types integer, parameter :: & diff --git a/src/endf.F90 b/src/endf.F90 index 163246ff58..924e125575 100644 --- a/src/endf.F90 +++ b/src/endf.F90 @@ -159,7 +159,7 @@ contains integer, intent(in) :: MT logical :: fission_event - if (MT == N_FISSION .or. MT == N_F .or. MT == N_NF .or. MT == N_2NF & + if (MT == N_FISSION .or. MT == N_F .or. MT == N_NF .or. MT == N_2NF & .or. MT == N_3NF) then fission_event = .true. else @@ -168,6 +168,28 @@ contains end function is_fission +!=============================================================================== +! IS_DISAPPEARANCE determines if a given MT number is that of a disappearance +! reaction, i.e. a reaction with no neutron in the exit channel +!=============================================================================== + + function is_disappearance(MT) result(dis) + + integer, intent(in) :: MT + logical :: dis + + if (MT >= N_GAMMA .and. MT <= N_DA) then + dis = .true. + elseif (MT >= N_P0 .and. MT <= N_AC) then + dis = .true. + elseif (any(MT == [N_TA, N_DT, N_P3HE, N_D3HE, N_3HEA, N_3P])) then + dis = .true. + else + dis = .false. + end if + + end function is_disappearance + !=============================================================================== ! IS_SCATTER determines if a given MT number is that of a scattering event !=============================================================================== @@ -178,7 +200,7 @@ contains logical :: scatter_event if (MT < 100) then - if (MT == N_FISSION .or. MT == N_F .or. MT == N_NF .or. MT == N_2NF & + if (MT == N_FISSION .or. MT == N_F .or. MT == N_NF .or. MT == N_2NF & .or. MT == N_3NF) then scatter_event = .false. else From 80ce7cc2f829ad4326ab44e83e03f5af5551b0a7 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 28 Aug 2014 09:21:17 -0400 Subject: [PATCH 099/187] Fix typos in get_nndc_data.py --- data/get_nndc_data.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/data/get_nndc_data.py b/data/get_nndc_data.py index aaaacd4dfa..7e964bff88 100755 --- a/data/get_nndc_data.py +++ b/data/get_nndc_data.py @@ -129,14 +129,14 @@ if not response or response.lower().startswith('y'): # loop around ace directories for d in ace_dirs: - print('Coverting {0}...'.format(d)) + print('Converting {0}...'.format(d)) # get a list of files to convert ace_files = glob.glob(os.path.join(d, '*.ace*')) # convert files for f in ace_files: - print(' Coverting {0}...'.format(os.path.split(f)[1])) + print(' Converting {0}...'.format(os.path.split(f)[1])) ascii_to_binary(f, f) # Change cross_sections.xml file From 0ec7844864bd8972ab3a0478a46e00f4bf853718 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 28 Aug 2014 10:55:04 -0400 Subject: [PATCH 100/187] Fix initialization issues for pseudorandom number streams. The `stream` variable is now threadprivate and both `stream` and `prn_seed` are initialized inside an OpenMP parallel region so that all threads have appropriate values. --- src/random_lcg.F90 | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/random_lcg.F90 b/src/random_lcg.F90 index a29d1aa9a0..e6a28587df 100644 --- a/src/random_lcg.F90 +++ b/src/random_lcg.F90 @@ -18,7 +18,7 @@ module random_lcg real(8) :: prn_norm ! 2^(-M) integer :: stream ! current RNG stream -!$omp threadprivate(prn_seed) +!$omp threadprivate(prn_seed, stream) public :: prn public :: initialize_prng @@ -60,11 +60,13 @@ contains integer :: i - stream = STREAM_TRACKING prn_seed0 = seed +!$omp parallel do i = 1, N_STREAMS prn_seed(i) = prn_seed0 + i - 1 end do + stream = STREAM_TRACKING +!$omp end parallel prn_mult = 2806196910506780709_8 prn_add = 1_8 prn_bits = 63 From 20ad38e52832a8b6b0f31703f216a4d7ee9eaec3 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Sat, 30 Aug 2014 02:53:08 -0400 Subject: [PATCH 101/187] Added support for other slice orientations --- src/plot.F90 | 137 ++++++++++++++++++++++++++------------------------- 1 file changed, 69 insertions(+), 68 deletions(-) diff --git a/src/plot.F90 b/src/plot.F90 index 888b50dff7..97ead21cb1 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -190,14 +190,14 @@ contains type(Image) :: img logical :: in_mesh - integer :: x, y ! pixel location + integer :: out_, in_ ! pixel location integer :: r, g, b ! RGB color for meshlines pixels - integer :: xrange(2), yrange(2) ! range of pixel locations + integer :: outrange(2), inrange(2) ! range of pixel locations integer :: i, j ! loop indices - integer :: ijk(3) integer :: plus integer :: ijk_ll(3) ! mesh bin ijk indicies of plot lower left integer :: ijk_ur(3) ! mesh bin ijk indicies of plot upper right + integer :: outer, inner real(8) :: frac real(8) :: width(3) ! real widths of the plot real(8) :: xyz_ll_plot(3) ! lower left xyz of plot image @@ -214,74 +214,75 @@ contains select case (pl % basis) case(PLOT_BASIS_XY) - xyz_ll_plot(1) = pl % origin(1) - pl % width(1) / 2.0 - xyz_ll_plot(2) = pl % origin(2) - pl % width(2) / 2.0 - xyz_ll_plot(3) = pl % origin(3) - xyz_ur_plot(1) = pl % origin(1) + pl % width(1) / 2.0 - xyz_ur_plot(2) = pl % origin(2) + pl % width(2) / 2.0 - xyz_ur_plot(3) = pl % origin(3) - - width = xyz_ur_plot - xyz_ll_plot - - call get_mesh_indices(m, xyz_ll_plot, ijk_ll(:m % n_dimension), in_mesh) - call get_mesh_indices(m, xyz_ur_plot, ijk_ur(:m % n_dimension), in_mesh) - - ! sweep through all meshbins on this plane and draw borders - ijk(3) = 0 - do i = ijk_ll(1), ijk_ur(1) - do j = ijk_ll(2), ijk_ur(2) - ! check if we're in the mesh for this ijk - if (i > 0 .and. i <= m % dimension(1) .and. & - j > 0 .and. j <= m % dimension(2)) then - - ! get xyz's of lower left and upper right of this mesh cell - ijk(1) = i - ijk(2) = j - xyz_ll(:m % n_dimension) = & - m % lower_left + m % width * (ijk(:m % n_dimension) - 1) - xyz_ur(:m % n_dimension) = & - m % lower_left + m % width * ijk(:m % n_dimension) - - ! map the xyz to pixel locations - frac = (xyz_ll(1) - xyz_ll_plot(1)) / width(1) - xrange(1) = int(frac * real(img % width,8)) - frac = (xyz_ur(1) - xyz_ll_plot(1)) / width(1) - xrange(2) = int(frac * real(img % width,8)) - - frac = (xyz_ll(2) - xyz_ll_plot(2)) / width(2) - yrange(1) = img % height - int(frac * real(img % height,8)) - frac = (xyz_ur(2) - xyz_ll_plot(2)) / width(2) - yrange(2) = img % height - int(frac * real(img % height,8)) - - ! draw black lines - do x = xrange(1), xrange(2) - do plus = 0, pl % meshlines_width - call set_pixel(img, x, yrange(1) + plus, r, g, b) - call set_pixel(img, x, yrange(2) + plus, r, g, b) - call set_pixel(img, x, yrange(1) - plus, r, g, b) - call set_pixel(img, x, yrange(2) - plus, r, g, b) - end do - end do - do y = yrange(2), yrange(1) - do plus = 0, pl % meshlines_width - call set_pixel(img, xrange(1) + plus, y, r, g, b) - call set_pixel(img, xrange(2) + plus, y, r, g, b) - call set_pixel(img, xrange(1) - plus, y, r, g, b) - call set_pixel(img, xrange(2) - plus, y, r, g, b) - end do - end do - - end if - end do - end do - + outer = 1 + inner = 2 case(PLOT_BASIS_XZ) - message = "Meshline plotting currently only implemented for basis xy" - call fatal_error() + outer = 1 + inner = 3 case(PLOT_BASIS_YZ) - message = "Meshline plotting currently only implemented for basis xy" - call fatal_error() + outer = 2 + inner = 3 end select + + xyz_ll_plot = pl % origin + xyz_ur_plot = pl % origin + + xyz_ll_plot(outer) = pl % origin(1) - pl % width(1) / 2.0 + xyz_ll_plot(inner) = pl % origin(2) - pl % width(2) / 2.0 + xyz_ur_plot(outer) = pl % origin(1) + pl % width(1) / 2.0 + xyz_ur_plot(inner) = pl % origin(2) + pl % width(2) / 2.0 + + width = xyz_ur_plot - xyz_ll_plot + + call get_mesh_indices(m, xyz_ll_plot, ijk_ll(:m % n_dimension), in_mesh) + call get_mesh_indices(m, xyz_ur_plot, ijk_ur(:m % n_dimension), in_mesh) + + ! sweep through all meshbins on this plane and draw borders + do i = ijk_ll(outer), ijk_ur(outer) + do j = ijk_ll(inner), ijk_ur(inner) + ! check if we're in the mesh for this ijk + if (i > 0 .and. i <= m % dimension(outer) .and. & + j > 0 .and. j <= m % dimension(inner)) then + + ! get xyz's of lower left and upper right of this mesh cell + xyz_ll(outer) = m % lower_left(outer) + m % width(outer) * (i - 1) + xyz_ll(inner) = m % lower_left(inner) + m % width(inner) * (j - 1) + xyz_ur(outer) = m % lower_left(outer) + m % width(outer) * i + xyz_ur(inner) = m % lower_left(inner) + m % width(inner) * j + + ! map the xyz ranges to pixel ranges + + frac = (xyz_ll(outer) - xyz_ll_plot(outer)) / width(outer) + outrange(1) = int(frac * real(img % width, 8)) + frac = (xyz_ur(outer) - xyz_ll_plot(outer)) / width(outer) + outrange(2) = int(frac * real(img % width, 8)) + + frac = (xyz_ll(inner) - xyz_ll_plot(inner)) / width(inner) + inrange(1) = int(frac * real(img % height, 8)) + frac = (xyz_ur(inner) - xyz_ll_plot(inner)) / width(inner) + inrange(2) = int(frac * real(img % height, 8)) + + ! draw lines + do out_ = outrange(1), outrange(2) + do plus = 0, pl % meshlines_width + call set_pixel(img, out_, inrange(1) + plus, r, g, b) + call set_pixel(img, out_, inrange(2) + plus, r, g, b) + call set_pixel(img, out_, inrange(1) - plus, r, g, b) + call set_pixel(img, out_, inrange(2) - plus, r, g, b) + end do + end do + do in_ = inrange(1), inrange(2) + do plus = 0, pl % meshlines_width + call set_pixel(img, outrange(1) + plus, in_, r, g, b) + call set_pixel(img, outrange(2) + plus, in_, r, g, b) + call set_pixel(img, outrange(1) - plus, in_, r, g, b) + call set_pixel(img, outrange(2) - plus, in_, r, g, b) + end do + end do + + end if + end do + end do end subroutine draw_mesh_lines From f108e75be42ead7ba2f210826278df2090eef684 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Sat, 30 Aug 2014 03:01:47 -0400 Subject: [PATCH 102/187] Switched to pointer for plot mesh --- src/input_xml.F90 | 17 +++++++++-------- src/plot.F90 | 4 ++-- src/plot_header.F90 | 3 ++- 3 files changed, 13 insertions(+), 11 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 5d9d54a976..8e43ab3973 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -2682,8 +2682,9 @@ contains subroutine read_plots_xml() - integer i, j - integer n_cols, col_id, n_comp, n_masks, n_meshlines + integer :: i, j + integer :: n_cols, col_id, n_comp, n_masks, n_meshlines + integer :: meshid integer, allocatable :: iarray(:) logical :: file_exists ! does plots.xml file exist? character(MAX_LINE_LEN) :: filename ! absolute path to plots.xml @@ -2973,7 +2974,7 @@ contains ! Ensure that there is a mesh id for this meshlines specification if (check_for_node(node_meshlines, "mesh")) then - call get_node_value(node_meshlines, "mesh", pl % meshlines_id) + call get_node_value(node_meshlines, "mesh", meshid) else message = "Must specify a mesh id for meshlines " // & "specification in plot " // trim(to_str(pl % id)) @@ -3009,16 +3010,16 @@ contains end if ! Check if the specified tally mesh exists - if (mesh_dict % has_key(pl % meshlines_id)) then - pl % meshlines_id = mesh_dict % get_key(pl % meshlines_id) - if (meshes(pl % meshlines_id) % type /= LATTICE_RECT) then + if (mesh_dict % has_key(meshid)) then + pl % meshlines_mesh => meshes(mesh_dict % get_key(meshid)) + if (meshes(meshid) % type /= LATTICE_RECT) then message = "Non-rectangular mesh specified in meshlines for" // & " plot " // trim(to_str(pl % id)) call fatal_error() end if else - message = "Could not find tally mesh " // & - trim(to_str(pl % meshlines_id)) // & + message = "Could not find mesh " // & + trim(to_str(meshid)) // & " specified in meshlines for plot " // & trim(to_str(pl % id)) call fatal_error() diff --git a/src/plot.F90 b/src/plot.F90 index 97ead21cb1..f6a41c9513 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -168,7 +168,7 @@ contains end do ! Draw tally mesh boundaries on the image if requested - if (pl % meshlines_id > 0) call draw_mesh_lines(pl, img) + if (associated(pl % meshlines_mesh)) call draw_mesh_lines(pl, img) ! Write out the ppm to a file call output_ppm(pl,img) @@ -206,7 +206,7 @@ contains real(8) :: xyz_ur(3) ! upper right xyz type(StructuredMesh), pointer :: m => null() - m => meshes(pl % meshlines_id) + m => pl % meshlines_mesh r = pl % meshlines_color % rgb(1) g = pl % meshlines_color % rgb(2) diff --git a/src/plot_header.F90 b/src/plot_header.F90 index e66bf9077e..68eb89a11a 100644 --- a/src/plot_header.F90 +++ b/src/plot_header.F90 @@ -1,6 +1,7 @@ module plot_header use constants + use mesh_header, only: StructuredMesh implicit none @@ -25,8 +26,8 @@ module plot_header real(8) :: width(3) ! xyz widths of plot integer :: basis ! direction of plot slice integer :: pixels(3) ! pixel width/height of plot slice - integer :: meshlines_id = -1 ! id of the mesh to plot lines of integer :: meshlines_width ! pixel width of meshlines + type(StructuredMesh), pointer :: meshlines_mesh => null() ! mesh to plot type(ObjectColor) :: meshlines_color ! Color for meshlines type(ObjectColor) :: not_found ! color for positions where no cell found type(ObjectColor), allocatable :: colors(:) ! colors of cells/mats From 8e0cfbe0ebad069a96470fb98d958b21c747c137 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 2 Sep 2014 22:33:11 -0400 Subject: [PATCH 103/187] Update test results. Since the cross_sections.xml file was set up incorrectly, Am-242m was actually pointing to Am-242. Many other nuclides affected by the missing level cross section issue. --- tests/test_filter_cell/results_true.dat | 14 +- tests/test_filter_cellborn/results_true.dat | 6 +- tests/test_filter_energy/results_true.dat | 18 +- tests/test_filter_energyout/results_true.dat | 18 +- .../results_true.dat | 70 +- tests/test_filter_material/results_true.dat | 18 +- tests/test_filter_mesh_2d/results_true.dat | 628 +- tests/test_filter_mesh_3d/results_true.dat | 1806 +- tests/test_filter_universe/results_true.dat | 18 +- tests/test_lattice/results_true.dat | 2 +- tests/test_lattice_multiple/results_true.dat | 2 +- .../test_salphabeta_multiple/results_true.dat | 2 +- tests/test_score_MT/results_true.dat | 42 +- tests/test_score_absorption/results_true.dat | 22 +- tests/test_score_current/results_true.dat | 314130 +++++++-------- tests/test_score_events/results_true.dat | 18 +- tests/test_score_fission/results_true.dat | 18 +- tests/test_score_flux/results_true.dat | 26 +- tests/test_score_flux_yn/results_true.dat | 890 +- .../test_score_kappafission/results_true.dat | 10 +- tests/test_score_nufission/results_true.dat | 10 +- tests/test_score_nuscatter/results_true.dat | 14 +- tests/test_score_nuscatter_n/results_true.dat | 62 +- .../test_score_nuscatter_pn/results_true.dat | 42 +- .../test_score_nuscatter_yn/results_true.dat | 70 +- tests/test_score_scatter/results_true.dat | 14 +- tests/test_score_scatter_n/results_true.dat | 62 +- tests/test_score_scatter_pn/results_true.dat | 42 +- tests/test_score_scatter_yn/results_true.dat | 106 +- tests/test_score_total/results_true.dat | 14 +- tests/test_score_total_yn/results_true.dat | 314 +- tests/test_tally_assumesep/results_true.dat | 14 +- 32 files changed, 159261 insertions(+), 159261 deletions(-) diff --git a/tests/test_filter_cell/results_true.dat b/tests/test_filter_cell/results_true.dat index 612dff826f..42c42c7bb3 100644 --- a/tests/test_filter_cell/results_true.dat +++ b/tests/test_filter_cell/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 -1.890713E+01 -7.152908E+01 -3.917546E+00 -3.075301E+00 -5.552927E+01 -6.183865E+02 +1.161117E+01 +2.754585E+01 +2.434414E+00 +1.211549E+00 +3.447929E+01 +2.424749E+02 diff --git a/tests/test_filter_cellborn/results_true.dat b/tests/test_filter_cellborn/results_true.dat index b7a741b5ee..583754866b 100644 --- a/tests/test_filter_cellborn/results_true.dat +++ b/tests/test_filter_cellborn/results_true.dat @@ -1,10 +1,10 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 -9.139025E+01 -1.677920E+03 +5.474596E+01 +6.113816E+02 0.000000E+00 0.000000E+00 0.000000E+00 diff --git a/tests/test_filter_energy/results_true.dat b/tests/test_filter_energy/results_true.dat index 5e4e82772c..8b51c141d9 100644 --- a/tests/test_filter_energy/results_true.dat +++ b/tests/test_filter_energy/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -3.042702E+01 -1.853385E+02 -4.178722E+01 -3.512687E+02 -5.646523E+01 -6.385839E+02 -1.076536E+01 -2.354172E+01 +2.878078E+01 +1.706092E+02 +4.244509E+01 +3.618897E+02 +5.296331E+01 +5.632082E+02 +9.415257E+00 +1.798132E+01 diff --git a/tests/test_filter_energyout/results_true.dat b/tests/test_filter_energyout/results_true.dat index 806980893e..20ae8fddf9 100644 --- a/tests/test_filter_energyout/results_true.dat +++ b/tests/test_filter_energyout/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -2.946000E+01 -1.737786E+02 -4.311000E+01 -3.722645E+02 -5.405000E+01 -5.861625E+02 -7.210000E+00 -1.053790E+01 +2.904000E+01 +1.735606E+02 +4.173000E+01 +3.504547E+02 +5.212000E+01 +5.450908E+02 +6.720000E+00 +9.287600E+00 diff --git a/tests/test_filter_group_transfer/results_true.dat b/tests/test_filter_group_transfer/results_true.dat index 243044fff7..6028dc5aa6 100644 --- a/tests/test_filter_group_transfer/results_true.dat +++ b/tests/test_filter_group_transfer/results_true.dat @@ -1,67 +1,67 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -2.669000E+01 -1.427261E+02 +2.648000E+01 +1.448192E+02 0.000000E+00 0.000000E+00 -1.000000E-01 -2.200000E-03 +9.000000E-02 +1.900000E-03 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -9.216998E-01 -1.723927E-01 +9.020187E-01 +1.712909E-01 0.000000E+00 0.000000E+00 -2.318870E+00 -1.101279E+00 -2.770000E+00 -1.544500E+00 +2.051950E+00 +8.758994E-01 +2.560000E+00 +1.319200E+00 0.000000E+00 0.000000E+00 -3.830000E+01 -2.939262E+02 +3.715000E+01 +2.781331E+02 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -4.392023E-01 -4.483407E-02 +3.941213E-01 +3.907469E-02 0.000000E+00 0.000000E+00 -1.034620E+00 -2.183695E-01 +9.325143E-01 +1.909208E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -4.700000E+00 -4.418400E+00 +4.490000E+00 +4.033900E+00 0.000000E+00 0.000000E+00 -5.068000E+01 -5.156254E+02 -2.988653E-02 -2.977530E-04 +4.876000E+01 +4.772882E+02 +1.843825E-02 +1.699875E-04 0.000000E+00 0.000000E+00 -6.285441E-02 -1.122296E-03 +2.991608E-02 +5.124778E-04 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.000000E-02 -1.000000E-04 0.000000E+00 0.000000E+00 -3.370000E+00 -2.274100E+00 -1.346003E-01 -4.276369E-03 -7.210000E+00 -1.053790E+01 -2.760328E-01 -1.728087E-02 +0.000000E+00 +0.000000E+00 +3.360000E+00 +2.261200E+00 +9.440731E-02 +2.296476E-03 +6.720000E+00 +9.287600E+00 +2.970043E-01 +1.889985E-02 diff --git a/tests/test_filter_material/results_true.dat b/tests/test_filter_material/results_true.dat index 85e9dbd8c0..82f5b6604e 100644 --- a/tests/test_filter_material/results_true.dat +++ b/tests/test_filter_material/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -2.965464E+01 -1.766718E+02 -6.972495E+00 -9.750915E+00 -6.670645E+01 -8.919447E+02 -3.609345E+01 -2.630165E+02 +2.808405E+01 +1.583153E+02 +6.600217E+00 +8.758087E+00 +4.213245E+01 +3.587283E+02 +5.251451E+01 +5.539717E+02 diff --git a/tests/test_filter_mesh_2d/results_true.dat b/tests/test_filter_mesh_2d/results_true.dat index ed452397fd..e3779fa2b7 100644 --- a/tests/test_filter_mesh_2d/results_true.dat +++ b/tests/test_filter_mesh_2d/results_true.dat @@ -1,5 +1,5 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 @@ -21,10 +21,14 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 +1.417913E-01 +2.010478E-02 +2.168719E-02 +4.703344E-04 +1.399852E+00 +1.959586E+00 0.000000E+00 0.000000E+00 -3.836091E-02 -1.471559E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -49,6 +53,14 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 +1.438468E-01 +1.138366E-02 +3.162720E-01 +6.420661E-02 +1.710523E+00 +1.682331E+00 +3.923774E-01 +6.087295E-02 0.000000E+00 0.000000E+00 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+7.816240E+02 +7.857315E+00 +1.264975E+01 diff --git a/tests/test_lattice/results_true.dat b/tests/test_lattice/results_true.dat index f0e9d8a919..4e02678c63 100644 --- a/tests/test_lattice/results_true.dat +++ b/tests/test_lattice/results_true.dat @@ -1,2 +1,2 @@ k-combined: -9.642421E-01 6.239193E-02 +1.042387E+00 1.575316E-01 diff --git a/tests/test_lattice_multiple/results_true.dat b/tests/test_lattice_multiple/results_true.dat index 4ff5bcbcf3..3b660ab668 100644 --- a/tests/test_lattice_multiple/results_true.dat +++ b/tests/test_lattice_multiple/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 diff --git a/tests/test_salphabeta_multiple/results_true.dat b/tests/test_salphabeta_multiple/results_true.dat index 3cc5daf1db..57e620610a 100644 --- a/tests/test_salphabeta_multiple/results_true.dat +++ b/tests/test_salphabeta_multiple/results_true.dat @@ -1,2 +1,2 @@ k-combined: -9.686161E-01 5.058148E-02 +9.686128E-01 5.056987E-02 diff --git a/tests/test_score_MT/results_true.dat b/tests/test_score_MT/results_true.dat index 4f6a77216f..996c55a212 100644 --- a/tests/test_score_MT/results_true.dat +++ b/tests/test_score_MT/results_true.dat @@ -1,5 +1,5 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 @@ -9,27 +9,27 @@ tallies: 0.000000E+00 0.000000E+00 0.000000E+00 -5.107210E-03 -1.115395E-05 -5.107210E-03 -1.115395E-05 -4.333475E-01 -3.808130E-02 -1.486430E+00 -4.460082E-01 -6.079805E-04 -2.427682E-07 -6.079805E-04 -2.427682E-07 -3.591927E-02 -2.735525E-04 -1.840648E-02 -6.858507E-05 +1.070347E-03 +4.096057E-07 +1.070347E-03 +4.096057E-07 +2.752499E-01 +1.572016E-02 +9.618633E-01 +1.913668E-01 +1.492613E-05 +2.165664E-10 +1.492613E-05 +2.165664E-10 +2.145916E-02 +9.738018E-05 +1.424685E-02 +4.218285E-05 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -7.729188E-05 -1.760385E-09 -8.668997E-02 -1.517751E-03 +3.974077E-05 +3.852650E-10 +5.398592E-02 +6.186431E-04 diff --git a/tests/test_score_absorption/results_true.dat b/tests/test_score_absorption/results_true.dat index 831c75495a..87de5394f7 100644 --- a/tests/test_score_absorption/results_true.dat +++ b/tests/test_score_absorption/results_true.dat @@ -1,20 +1,20 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: 0.000000E+00 0.000000E+00 -2.752688E+00 -1.519822E+00 -1.839896E-02 -6.847549E-05 -4.163078E-01 -3.500130E-02 +1.757191E+00 +6.376509E-01 +1.424302E-02 +4.216201E-05 +2.580900E-01 +1.412525E-02 tally 2: 0.000000E+00 0.000000E+00 -2.590000E+00 -1.347300E+00 +1.880000E+00 +7.122000E-01 1.000000E-02 1.000000E-04 -4.400000E-01 -4.560000E-02 +1.800000E-01 +8.600000E-03 diff --git a/tests/test_score_current/results_true.dat b/tests/test_score_current/results_true.dat index aa7f8c99d9..5211f44134 100644 --- a/tests/test_score_current/results_true.dat +++ b/tests/test_score_current/results_true.dat @@ -1,5 +1,5 @@ k-combined: -1.026057E+00 2.398033E-02 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+0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 diff --git a/tests/test_score_events/results_true.dat b/tests/test_score_events/results_true.dat index 76fd05d385..d57c5aad9c 100644 --- a/tests/test_score_events/results_true.dat +++ b/tests/test_score_events/results_true.dat @@ -1,12 +1,12 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -6.962000E+01 -9.707884E+02 -3.952000E+01 -3.204384E+02 +4.363000E+01 +3.897351E+02 +6.243000E+01 +7.832159E+02 tally 2: -1.819000E+01 -6.642470E+01 -1.068000E+01 -2.337500E+01 +1.189000E+01 +2.882870E+01 +1.708000E+01 +5.859880E+01 diff --git a/tests/test_score_fission/results_true.dat b/tests/test_score_fission/results_true.dat index 7eb510a59a..086deab4f6 100644 --- a/tests/test_score_fission/results_true.dat +++ b/tests/test_score_fission/results_true.dat @@ -1,20 +1,20 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.262131E+00 -3.195239E-01 +7.937979E-01 +1.314653E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -6.901239E-01 -1.005482E-01 +1.004148E+00 +2.076648E-01 tally 2: -1.255288E+00 -3.153728E-01 +7.878553E-01 +1.260467E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -6.822560E-01 -9.370377E-02 +1.020127E+00 +2.123887E-01 diff --git a/tests/test_score_flux/results_true.dat b/tests/test_score_flux/results_true.dat index c1af60002b..4a88506f35 100644 --- a/tests/test_score_flux/results_true.dat +++ b/tests/test_score_flux/results_true.dat @@ -1,15 +1,15 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -4.196778E+01 -3.530350E+02 -1.435805E+01 -4.131125E+01 -6.911779E+01 -9.588442E+02 -2.386422E+01 -1.167546E+02 -8.356743E+00 -1.425896E+01 -4.020665E+01 -3.286445E+02 +2.565436E+01 +1.354321E+02 +8.779444E+00 +1.573694E+01 +4.278858E+01 +3.719602E+02 +3.644585E+01 +2.673612E+02 +1.237524E+01 +3.084236E+01 +6.211066E+01 +7.757387E+02 diff --git a/tests/test_score_flux_yn/results_true.dat b/tests/test_score_flux_yn/results_true.dat index 310b9d1cd7..dd93ffec84 100644 --- a/tests/test_score_flux_yn/results_true.dat +++ b/tests/test_score_flux_yn/results_true.dat @@ -1,448 +1,448 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -4.196778E+01 -3.530350E+02 -1.435805E+01 -4.131125E+01 -6.911779E+01 -9.588442E+02 -2.386422E+01 -1.167546E+02 -8.356743E+00 -1.425896E+01 -4.020665E+01 -3.286445E+02 +2.565436E+01 +1.354321E+02 +8.779444E+00 +1.573694E+01 +4.278858E+01 +3.719602E+02 +3.644585E+01 +2.673612E+02 +1.237524E+01 +3.084236E+01 +6.211066E+01 +7.757387E+02 tally 2: -4.196778E+01 -3.530350E+02 -2.485016E-01 -8.405674E-02 --3.879323E-01 -9.167459E-02 -4.508722E-01 -5.940427E-01 --5.581297E-01 -8.817283E-02 --4.298465E-01 -1.166568E-01 -2.189843E-01 -2.581118E-01 -2.277848E-02 -2.187159E-01 -4.005053E-02 -1.465462E-01 -1.172397E-01 -4.120332E-02 -4.314239E-01 -1.204293E-01 --8.471728E-03 -6.014855E-03 -1.080158E-01 -2.727746E-01 -1.067918E-01 -1.739305E-02 --2.347246E-02 -1.198935E-01 -1.244379E-01 -8.907767E-02 --2.949398E-01 -8.887927E-02 --2.114222E-01 -9.164391E-02 --4.168004E-01 -1.085041E-01 --7.650322E-02 -4.480095E-02 --2.724942E-01 -1.818418E-01 -4.271458E-01 -1.250461E-01 -3.568173E-01 -3.569874E-02 --3.515782E-01 -6.714772E-02 -8.819129E-02 -7.378857E-02 --2.683794E-01 -6.970101E-02 --1.301532E-01 -8.412855E-02 --1.743175E-01 -1.091908E-01 -2.236725E-01 -1.267758E-01 -6.296889E-01 -9.896059E-02 -1.388630E-01 -6.120279E-02 --1.718855E-02 -1.148978E-01 -4.622015E-01 -6.597706E-02 -2.531333E-01 -1.010256E-01 -6.104344E-01 -1.657351E-01 --3.430136E-01 -7.569883E-02 -1.435805E+01 -4.131125E+01 -1.113966E-01 -2.860352E-02 --4.098513E-01 -3.721126E-02 -2.257618E-01 -6.455057E-02 --1.920067E-01 -1.032001E-02 --2.681620E-02 -1.571030E-02 --1.846384E-03 -2.433124E-02 -1.466902E-02 -2.493306E-02 --1.139774E-01 -1.245338E-02 --4.391572E-02 -7.557624E-03 -1.682105E-01 -1.586497E-02 --1.167261E-01 -7.111886E-03 -1.305940E-02 -1.354915E-02 --1.989655E-02 -2.858672E-03 --5.838072E-02 -2.100469E-02 --5.611650E-02 -1.487248E-02 --1.508486E-01 -1.373358E-02 --8.217302E-02 -8.321404E-03 --1.733825E-01 -2.166778E-02 --3.480309E-02 -2.297395E-03 --1.967901E-01 -1.309369E-02 -1.441436E-01 -1.737213E-02 --9.802062E-04 -4.627320E-03 --7.350348E-02 -3.672361E-03 -8.320465E-02 -1.072517E-02 --7.946398E-02 -7.146019E-03 --1.607398E-02 -1.795081E-02 -6.932925E-03 -9.445191E-03 -2.085514E-01 -2.285275E-02 --1.648308E-02 -1.821123E-03 -5.722638E-02 -5.762040E-03 -5.914433E-02 -1.204480E-02 -1.880291E-01 -8.657218E-03 -2.863993E-02 -1.017168E-02 -2.180939E-01 -1.719589E-02 --1.548364E-01 -1.086494E-02 -6.911779E+01 -9.588442E+02 -8.284527E-01 -7.988588E-01 --1.096658E+00 -6.086585E-01 -4.919633E-01 -1.728036E+00 --7.812071E-01 -2.529603E-01 --3.153443E-01 -2.547322E-01 --6.897056E-01 -4.610229E-01 --6.305241E-01 -4.433235E-01 --4.957921E-02 -4.774998E-01 --1.126885E-01 -3.212008E-01 -1.043761E+00 -4.309496E-01 --9.947668E-01 -3.300676E-01 -4.426331E-01 -3.791353E-01 --2.892121E-02 -7.559102E-02 --5.347898E-01 -2.401866E-01 -2.669113E-01 -1.427206E-01 --4.324494E-01 -2.434427E-01 --4.028039E-01 -1.457150E-01 --4.054779E-01 -3.243179E-01 --2.323146E-01 -4.378377E-02 --1.040595E+00 -3.683603E-01 -2.931554E-01 -3.714171E-01 -2.515620E-01 -2.235834E-01 --3.650470E-01 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+1.771215E-01 +7.776395E-01 +3.472463E-01 +2.844808E-01 +1.262659E-01 +1.075302E-01 +5.878152E-02 +-9.524430E-02 +2.356129E-01 +-7.460188E-02 +3.658302E-01 +9.002646E-01 +2.408214E-01 +-2.433226E-04 +2.947432E-01 +2.706141E-01 +8.383492E-02 +3.187244E-01 +1.025882E-01 +4.009682E-01 +2.985792E-01 +1.457769E-01 +1.542573E-01 +5.192335E-01 +2.426336E-01 +2.578456E-06 +1.741389E-01 +-2.945081E-01 +5.837518E-02 +-2.544008E-01 +1.447116E-01 +-1.201939E-01 +4.780114E-02 +9.132771E-01 +1.897854E-01 +-1.665576E-01 +2.160214E-01 +3.474656E-01 +1.169747E-01 +5.253146E-01 +1.965759E-01 +4.888665E-01 +1.030308E-01 diff --git a/tests/test_score_kappafission/results_true.dat b/tests/test_score_kappafission/results_true.dat index 760df67f55..a6ae538c4f 100644 --- a/tests/test_score_kappafission/results_true.dat +++ b/tests/test_score_kappafission/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -2.473989E+02 -1.227656E+04 +1.555164E+02 +5.045335E+03 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.352697E+02 -3.863347E+03 +1.967117E+02 +7.969405E+03 diff --git a/tests/test_score_nufission/results_true.dat b/tests/test_score_nufission/results_true.dat index 64d2f12469..d840521695 100644 --- a/tests/test_score_nufission/results_true.dat +++ b/tests/test_score_nufission/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -3.327715E+00 -2.220799E+00 +2.082752E+00 +9.038453E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 -1.819231E+00 -6.995769E-01 +2.640026E+00 +1.436287E+00 diff --git a/tests/test_score_nuscatter/results_true.dat b/tests/test_score_nuscatter/results_true.dat index cb25482730..a29e57e47b 100644 --- a/tests/test_score_nuscatter/results_true.dat +++ b/tests/test_score_nuscatter/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 -1.564000E+01 -4.916600E+01 -3.920000E+00 -3.109600E+00 -5.521000E+01 -6.110321E+02 +1.001000E+01 +2.055270E+01 +2.370000E+00 +1.250100E+00 +3.391000E+01 +2.317483E+02 diff --git a/tests/test_score_nuscatter_n/results_true.dat b/tests/test_score_nuscatter_n/results_true.dat index 5343c7ccc7..ce22b7c0a8 100644 --- a/tests/test_score_nuscatter_n/results_true.dat +++ b/tests/test_score_nuscatter_n/results_true.dat @@ -1,33 +1,33 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -1.564000E+01 -4.916600E+01 -1.732008E+00 -6.519811E-01 -1.050135E+00 -2.811326E-01 -5.022249E-01 -7.365690E-02 -5.181483E-01 -6.230558E-02 -3.920000E+00 -3.109600E+00 -3.797567E-01 -4.279038E-02 -2.871365E-01 -2.682867E-02 --7.080425E-02 -2.399440E-03 --7.471957E-02 -1.768104E-02 -5.521000E+01 -6.110321E+02 -2.770173E+01 -1.538758E+02 -9.729167E+00 -1.894035E+01 -1.084712E-01 -2.197558E-02 --1.909197E+00 -7.728336E-01 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 +2.370000E+00 +1.250100E+00 +4.069121E-01 +3.712261E-02 +1.675181E-01 +8.485856E-03 +4.222049E-02 +1.259403E-03 +-3.192012E-02 +3.638177E-03 +3.391000E+01 +2.317483E+02 +1.683873E+01 +5.703705E+01 +5.997824E+00 +7.439673E+00 +4.483230E-01 +1.440023E-01 +-5.793501E-01 +1.160971E-01 diff --git a/tests/test_score_nuscatter_pn/results_true.dat b/tests/test_score_nuscatter_pn/results_true.dat index 6dedb2581a..58b1f8d9e9 100644 --- a/tests/test_score_nuscatter_pn/results_true.dat +++ b/tests/test_score_nuscatter_pn/results_true.dat @@ -1,24 +1,24 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.564000E+01 -4.916600E+01 -1.732008E+00 -6.519811E-01 -1.050135E+00 -2.811326E-01 -5.022249E-01 -7.365690E-02 -5.181483E-01 -6.230558E-02 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 tally 2: -1.564000E+01 -4.916600E+01 -1.732008E+00 -6.519811E-01 -1.050135E+00 -2.811326E-01 -5.022249E-01 -7.365690E-02 -5.181483E-01 -6.230558E-02 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 diff --git a/tests/test_score_nuscatter_yn/results_true.dat b/tests/test_score_nuscatter_yn/results_true.dat index b28922f675..85497da955 100644 --- a/tests/test_score_nuscatter_yn/results_true.dat +++ b/tests/test_score_nuscatter_yn/results_true.dat @@ -1,38 +1,38 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.564000E+01 -4.916600E+01 +1.001000E+01 +2.055270E+01 tally 2: -1.564000E+01 -4.916600E+01 -3.575358E-02 -1.415947E-02 --2.827615E-01 -4.002725E-02 -1.500274E-01 -1.620332E-02 --9.890009E-02 -7.235934E-03 -2.175099E-03 -1.892599E-03 --5.781969E-02 -1.408884E-02 --2.318422E-02 -8.598036E-04 -7.585681E-02 -1.087696E-02 -2.979107E-02 -1.239775E-03 -9.460069E-02 -6.264186E-03 -4.813435E-02 -1.288795E-03 --8.147729E-04 -3.790118E-03 -1.843800E-02 -1.900359E-03 -5.336792E-02 -4.801932E-03 --8.467690E-02 -1.804759E-03 +1.001000E+01 +2.055270E+01 +-1.183126E-01 +8.968581E-03 +1.285740E-01 +2.012866E-02 +-1.063642E-01 +5.657462E-03 +-1.012197E-01 +3.482657E-03 +-1.468579E-01 +5.892528E-03 +7.311799E-02 +3.363909E-03 +1.772847E-02 +2.338115E-03 +-1.306294E-02 +3.964203E-04 +1.105099E-02 +4.221119E-04 +-3.469267E-03 +3.620983E-04 +-6.776742E-02 +2.523905E-03 +7.275197E-02 +5.799188E-03 +1.235708E-01 +4.329131E-03 +3.335853E-02 +2.420903E-03 +6.869200E-02 +3.326258E-03 diff --git a/tests/test_score_scatter/results_true.dat b/tests/test_score_scatter/results_true.dat index 967c1c20b1..89f052deaa 100644 --- a/tests/test_score_scatter/results_true.dat +++ b/tests/test_score_scatter/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 -1.615444E+01 -5.222504E+01 -3.899147E+00 -3.046508E+00 -5.511296E+01 -6.091436E+02 +9.853983E+00 +1.982237E+01 +2.420171E+00 +1.197617E+00 +3.422120E+01 +2.388147E+02 diff --git a/tests/test_score_scatter_n/results_true.dat b/tests/test_score_scatter_n/results_true.dat index b9be5cce85..ce22b7c0a8 100644 --- a/tests/test_score_scatter_n/results_true.dat +++ b/tests/test_score_scatter_n/results_true.dat @@ -1,33 +1,33 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: -1.563000E+01 -4.911010E+01 -1.726509E+00 -6.486406E-01 -1.050600E+00 -2.811603E-01 -5.063165E-01 -7.401437E-02 -5.217372E-01 -6.254925E-02 -3.920000E+00 -3.109600E+00 -3.797567E-01 -4.279038E-02 -2.871365E-01 -2.682867E-02 --7.080425E-02 -2.399440E-03 --7.471957E-02 -1.768104E-02 -5.521000E+01 -6.110321E+02 -2.770173E+01 -1.538758E+02 -9.729167E+00 -1.894035E+01 -1.084712E-01 -2.197558E-02 --1.909197E+00 -7.728336E-01 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 +2.370000E+00 +1.250100E+00 +4.069121E-01 +3.712261E-02 +1.675181E-01 +8.485856E-03 +4.222049E-02 +1.259403E-03 +-3.192012E-02 +3.638177E-03 +3.391000E+01 +2.317483E+02 +1.683873E+01 +5.703705E+01 +5.997824E+00 +7.439673E+00 +4.483230E-01 +1.440023E-01 +-5.793501E-01 +1.160971E-01 diff --git a/tests/test_score_scatter_pn/results_true.dat b/tests/test_score_scatter_pn/results_true.dat index beab8734a7..58b1f8d9e9 100644 --- a/tests/test_score_scatter_pn/results_true.dat +++ b/tests/test_score_scatter_pn/results_true.dat @@ -1,24 +1,24 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.563000E+01 -4.911010E+01 -1.726509E+00 -6.486406E-01 -1.050600E+00 -2.811603E-01 -5.063165E-01 -7.401437E-02 -5.217372E-01 -6.254925E-02 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 tally 2: -1.563000E+01 -4.911010E+01 -1.726509E+00 -6.486406E-01 -1.050600E+00 -2.811603E-01 -5.063165E-01 -7.401437E-02 -5.217372E-01 -6.254925E-02 +1.001000E+01 +2.055270E+01 +1.045458E+00 +2.880795E-01 +3.394443E-01 +4.521695E-02 +3.397524E-01 +3.549593E-02 +1.551656E-01 +6.451528E-03 diff --git a/tests/test_score_scatter_yn/results_true.dat b/tests/test_score_scatter_yn/results_true.dat index be783946d1..1cf8e26c14 100644 --- a/tests/test_score_scatter_yn/results_true.dat +++ b/tests/test_score_scatter_yn/results_true.dat @@ -1,56 +1,56 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.563000E+01 -4.911010E+01 +1.001000E+01 +2.055270E+01 tally 2: -1.563000E+01 -4.911010E+01 -3.265314E-02 -1.401010E-02 --2.784092E-01 -4.070843E-02 -1.487306E-01 -1.624362E-02 --9.879312E-02 -7.238939E-03 -1.816077E-03 -1.917187E-03 --5.761546E-02 -1.408617E-02 --2.333439E-02 -8.671648E-04 -7.575130E-02 -1.088305E-02 -2.951556E-02 -1.230756E-03 -9.293290E-02 -6.250534E-03 -5.114677E-02 -1.294207E-03 --1.029072E-03 -3.792933E-03 -1.969798E-02 -1.818465E-03 -5.501284E-02 -4.658135E-03 --8.536202E-02 -1.830272E-03 --1.121277E-01 -3.579469E-03 -9.495652E-04 -1.749162E-03 --2.255205E-03 -7.869839E-04 -3.066446E-02 -1.141945E-03 -8.832025E-03 -7.315010E-04 -4.009282E-03 -2.489196E-03 -9.234469E-02 -3.629271E-03 --2.647418E-02 -1.994398E-03 --6.930572E-02 -2.199080E-03 +1.001000E+01 +2.055270E+01 +-1.183126E-01 +8.968581E-03 +1.285740E-01 +2.012866E-02 +-1.063642E-01 +5.657462E-03 +-1.012197E-01 +3.482657E-03 +-1.468579E-01 +5.892528E-03 +7.311799E-02 +3.363909E-03 +1.772847E-02 +2.338115E-03 +-1.306294E-02 +3.964203E-04 +1.105099E-02 +4.221119E-04 +-3.469267E-03 +3.620983E-04 +-6.776742E-02 +2.523905E-03 +7.275197E-02 +5.799188E-03 +1.235708E-01 +4.329131E-03 +3.335853E-02 +2.420903E-03 +6.869200E-02 +3.326258E-03 +5.493102E-03 +1.435058E-03 +5.729583E-02 +1.002124E-03 +2.338667E-02 +1.568394E-03 +-6.527369E-02 +2.163907E-03 +5.997182E-02 +2.521405E-03 +1.400703E-02 +3.928690E-04 +-3.471565E-02 +4.095776E-04 +-2.275813E-02 +1.120381E-03 +2.896166E-02 +1.179565E-03 diff --git a/tests/test_score_total/results_true.dat b/tests/test_score_total/results_true.dat index 612dff826f..42c42c7bb3 100644 --- a/tests/test_score_total/results_true.dat +++ b/tests/test_score_total/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tallies: 0.000000E+00 0.000000E+00 -1.890713E+01 -7.152908E+01 -3.917546E+00 -3.075301E+00 -5.552927E+01 -6.183865E+02 +1.161117E+01 +2.754585E+01 +2.434414E+00 +1.211549E+00 +3.447929E+01 +2.424749E+02 diff --git a/tests/test_score_total_yn/results_true.dat b/tests/test_score_total_yn/results_true.dat index 5d0a8a8f86..fdabd9a144 100644 --- a/tests/test_score_total_yn/results_true.dat +++ b/tests/test_score_total_yn/results_true.dat @@ -1,14 +1,14 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: 0.000000E+00 0.000000E+00 -1.890713E+01 -7.152908E+01 -3.917546E+00 -3.075301E+00 -5.552927E+01 -6.183865E+02 +1.161117E+01 +2.754585E+01 +2.434414E+00 +1.211549E+00 +3.447929E+01 +2.424749E+02 tally 2: 0.000000E+00 0.000000E+00 @@ -60,153 +60,153 @@ tally 2: 0.000000E+00 0.000000E+00 0.000000E+00 -1.890713E+01 -7.152908E+01 -1.540971E-01 -2.096363E-02 --1.195630E-02 -1.920476E-02 -1.435431E-01 -5.630497E-02 --2.834211E-01 -2.062584E-02 --1.146857E-01 -1.979598E-02 --1.590494E-01 -5.560603E-02 --5.697185E-02 -3.953649E-02 --1.005664E-01 -6.530992E-03 -1.267180E-01 -9.446804E-03 -2.157455E-02 -2.173278E-02 -8.599913E-03 -4.404730E-03 --1.934882E-02 -3.274972E-02 -4.911689E-02 -3.311127E-03 -9.869050E-03 -3.361814E-02 -4.069442E-02 -1.337725E-02 --5.423255E-02 -1.606579E-02 --1.337364E-01 -2.603975E-02 --1.876630E-01 -1.302219E-02 --1.859101E-02 -9.387336E-03 --4.348784E-02 -2.920385E-02 -7.165691E-02 -1.319410E-02 -1.011266E-01 -3.007547E-03 --1.070307E-02 -1.031868E-02 --1.144515E-01 -8.151090E-03 -3.917546E+00 -3.075301E+00 -6.570426E-02 -2.338190E-03 --1.035420E-01 -3.326924E-03 -1.132136E-02 -3.530955E-03 --5.873495E-02 -1.067474E-03 -1.117638E-02 -1.072043E-03 --1.104808E-02 -1.979143E-03 --4.538283E-03 -1.943128E-03 --2.285799E-02 -1.164137E-03 --9.458311E-03 -2.890275E-04 -4.544119E-02 -1.097943E-03 --7.053853E-03 -1.837385E-04 --1.409662E-02 -1.622809E-03 -1.436006E-02 -1.452850E-04 --3.192019E-03 -1.390851E-03 --2.278325E-02 -5.491174E-04 --3.708952E-02 -9.052735E-04 -2.036647E-03 -3.935901E-04 --4.746606E-02 -1.238755E-03 --1.856189E-02 -2.769040E-04 --3.263358E-02 -5.037085E-04 -4.438126E-02 -1.501352E-03 --7.960647E-03 -7.667880E-04 --2.733672E-02 -6.550081E-04 --8.523785E-04 -5.301322E-04 -5.552927E+01 -6.183865E+02 -2.553389E-01 -1.972678E-01 --4.802411E-02 -4.047125E-01 --3.576204E-01 -8.267775E-01 --2.370981E-01 -1.094746E-01 -6.719123E-02 -1.016838E-01 --6.275220E-01 -2.276848E-01 --1.006212E+00 -3.305706E-01 --1.075971E-01 -1.071164E-01 --2.403240E-02 -8.732515E-02 -1.763798E-01 -4.856442E-02 --3.064447E-01 -4.657904E-02 -3.500508E-01 -1.005928E-01 -1.345324E-01 -3.301208E-02 --2.457195E-01 -1.239986E-01 -1.231432E-01 -4.748970E-02 --2.831615E-01 -7.052242E-02 -1.386470E-02 -1.342870E-02 --1.023274E-01 -4.237028E-02 --2.779053E-01 -3.093304E-02 --5.897687E-01 -1.043015E-01 --8.046551E-02 -6.275687E-02 --1.654252E-01 -4.643724E-02 -4.112639E-01 -1.395497E-01 -2.808468E-01 -6.355664E-02 +1.161117E+01 +2.754585E+01 +-2.142174E-01 +3.279724E-02 +2.074847E-01 +2.494364E-02 +-7.903982E-02 +5.676631E-02 +3.590832E-02 +7.445500E-03 +1.227905E-01 +9.669037E-03 +-2.956073E-02 +1.053089E-02 +2.125913E-01 +1.573643E-02 +3.994388E-02 +2.050911E-03 +1.428931E-02 +2.097252E-02 +1.852982E-02 +6.763156E-03 +4.256344E-02 +2.201630E-02 +5.235939E-02 +6.390478E-03 +-1.917565E-02 +6.057279E-03 +1.376468E-01 +1.381691E-02 +1.645657E-01 +6.909700E-03 +1.278040E-01 +7.358858E-03 +-4.885049E-02 +1.284487E-02 +1.015768E-01 +1.186044E-02 +-2.500552E-01 +2.850264E-02 +1.268185E-01 +8.830642E-03 +-5.298980E-02 +1.174521E-02 +-1.167860E-01 +5.317695E-03 +3.551278E-02 +9.746518E-03 +-5.156958E-02 +1.096176E-02 +2.434414E+00 +1.211549E+00 +-6.155874E-02 +1.820287E-03 +-1.131385E-02 +9.885845E-04 +3.264871E-02 +3.152029E-03 +3.906111E-03 +2.989255E-04 +3.357694E-02 +1.204498E-03 +-8.509149E-03 +4.932744E-04 +1.643578E-02 +6.559372E-04 +-4.516161E-03 +2.859238E-04 +-6.070807E-03 +5.103752E-04 +3.789990E-02 +8.649607E-04 +3.099170E-02 +6.294018E-04 +-4.634547E-03 +7.282887E-04 +-2.803226E-02 +5.565347E-04 +3.075995E-02 +6.733281E-04 +1.994943E-02 +2.449085E-04 +1.365097E-02 +2.449553E-04 +-7.320266E-03 +4.797846E-04 +2.167643E-02 +1.743090E-03 +-4.027522E-02 +1.131919E-03 +-1.877523E-03 +1.528174E-04 +-1.875876E-03 +5.415691E-04 +-1.250223E-02 +1.039339E-04 +3.243151E-02 +9.979755E-04 +1.661028E-02 +8.875222E-04 +3.447929E+01 +2.424749E+02 +-1.193109E-01 +4.356870E-02 +4.994465E-01 +1.364747E-01 +4.743095E-01 +3.139795E-01 +1.572748E-01 +7.384373E-02 +-6.645997E-02 +5.859821E-02 +4.439125E-01 +1.312325E-01 +1.989592E-01 +2.220419E-01 +1.184923E-01 +1.733884E-01 +6.229896E-02 +7.986227E-02 +2.843483E-01 +5.493256E-02 +5.285802E-01 +1.588852E-01 +-6.319558E-03 +2.538235E-02 +1.305659E-01 +6.500548E-03 +4.407872E-01 +5.126698E-02 +3.461406E-01 +7.630185E-02 +2.738707E-01 +1.899347E-02 +6.267800E-02 +8.687333E-02 +1.458903E-01 +6.032971E-02 +-4.003833E-01 +1.973491E-01 +2.274520E-01 +8.366655E-02 +-7.682364E-02 +1.930925E-02 +-5.201000E-02 +4.531851E-02 +-1.736210E-01 +1.161595E-01 +-2.291894E-02 +2.411043E-02 diff --git a/tests/test_tally_assumesep/results_true.dat b/tests/test_tally_assumesep/results_true.dat index fd2a9aa11c..2b6cd8f55b 100644 --- a/tests/test_tally_assumesep/results_true.dat +++ b/tests/test_tally_assumesep/results_true.dat @@ -1,11 +1,11 @@ k-combined: -1.026057E+00 2.398033E-02 +9.600453E-01 2.025740E-01 tally 1: -1.890713E+01 -7.152908E+01 +1.161117E+01 +2.754585E+01 tally 2: -3.917546E+00 -3.075301E+00 +2.434414E+00 +1.211549E+00 tally 3: -5.552927E+01 -6.183865E+02 +3.447929E+01 +2.424749E+02 From 62ec431e3be5e77b1ba9343935110190d7bc6358 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 2 Sep 2014 23:51:29 -0400 Subject: [PATCH 104/187] Don't read tallies.xml when OpenMC is run in plotting mode. Closes #310 on github. --- src/input_xml.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 1869b9709d..f36e4ca3a7 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -33,10 +33,10 @@ contains subroutine read_input_xml() call read_settings_xml() - if ((run_mode /= MODE_PLOTTING)) call read_cross_sections_xml() + if (run_mode /= MODE_PLOTTING) call read_cross_sections_xml() call read_geometry_xml() call read_materials_xml() - call read_tallies_xml() + if (run_mode /= MODE_PLOTTING) call read_tallies_xml() if (cmfd_run) call configure_cmfd() end subroutine read_input_xml From c130b796645d9c54051c6ccecdef288de451408c Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 4 Sep 2014 20:47:20 -0400 Subject: [PATCH 105/187] Fix 300 K data in cross_sections_nndc.xml and add missing metastable tags. --- data/cross_sections_nndc.xml | 44 ++++++++++++++++++------------------ 1 file changed, 22 insertions(+), 22 deletions(-) diff --git a/data/cross_sections_nndc.xml b/data/cross_sections_nndc.xml index 1a2615964d..57effa2753 100644 --- a/data/cross_sections_nndc.xml +++ b/data/cross_sections_nndc.xml @@ -64,7 +64,7 @@ - + @@ -157,7 +157,7 @@ - + @@ -166,7 +166,7 @@ - + @@ -195,9 +195,9 @@ - + - + @@ -255,7 +255,7 @@ - + @@ -292,7 +292,7 @@ - + @@ -387,11 +387,11 @@ - - + + - + @@ -421,7 +421,7 @@ - + @@ -487,7 +487,7 @@ - + @@ -580,7 +580,7 @@ - + @@ -589,7 +589,7 @@ - + @@ -618,9 +618,9 @@ - + - + @@ -678,7 +678,7 @@ - + @@ -715,7 +715,7 @@ - + @@ -810,11 +810,11 @@ - - + + - + @@ -844,7 +844,7 @@ - + From b9b66778cd2ab4a8277132895c576ce3e12304b5 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 4 Sep 2014 20:48:00 -0400 Subject: [PATCH 106/187] Remove 900 and 1200 K data from cross_sections_nndc.xml. --- data/cross_sections_nndc.xml | 846 ----------------------------------- 1 file changed, 846 deletions(-) diff --git a/data/cross_sections_nndc.xml b/data/cross_sections_nndc.xml index 57effa2753..9ebc79e257 100644 --- a/data/cross_sections_nndc.xml +++ b/data/cross_sections_nndc.xml @@ -847,852 +847,6 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - From c5a43746ad2d26e734abf728e729299d79475046 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 28 Feb 2014 18:37:11 -0500 Subject: [PATCH 107/187] added spatial source filter by fissionable material --- src/constants.F90 | 5 +++-- src/initialize.F90 | 36 ++++++++++++++++++++++++++++++++++++ src/input_xml.F90 | 3 +++ src/material_header.F90 | 4 ++++ src/source.F90 | 33 +++++++++++++++++++++++++++++++++ 5 files changed, 79 insertions(+), 2 deletions(-) diff --git a/src/constants.F90 b/src/constants.F90 index f83f7bd2c1..fa19a2ce1e 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -361,8 +361,9 @@ module constants ! Source spatial distribution types integer, parameter :: & - SRC_SPACE_BOX = 1, & ! Source in a rectangular prism - SRC_SPACE_POINT = 2 ! Source at a single point + SRC_SPACE_BOX = 1, & ! Source in a rectangular prism + SRC_SPACE_POINT = 2, & ! Source at a single point + SRC_SPACE_FISSION = 3 ! Source in prism filtered by fissionable mats ! Source angular distribution types integer, parameter :: & diff --git a/src/initialize.F90 b/src/initialize.F90 index 3e67ae8662..586051a9b2 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -11,6 +11,7 @@ module initialize use global use input_xml, only: read_input_xml, read_cross_sections_xml, & cells_in_univ_dict, read_plots_xml + use material_header, only: Material use output, only: title, header, write_summary, print_version, & print_usage, write_xs_summary, print_plot, & write_message @@ -107,6 +108,9 @@ contains ! Create linked lists for multiple instances of the same nuclide call same_nuclide_list() + ! Check for fissionable material + call check_mat_fission() + ! Construct unionized energy grid from cross-sections if (grid_method == GRID_UNION) then call time_unionize % start() @@ -897,4 +901,36 @@ contains end subroutine allocate_banks +!=============================================================================== +! CHECK_MAT_FISSION checks material for fissionable nuclides +!=============================================================================== + + subroutine check_mat_fission() + + integer :: i ! Material index counter + integer :: j ! Nuclide index counter + type(Material), pointer :: m => null() + + ! Loop around material + MAT: do i = 1, n_materials + + ! Get material + m => materials(i) + m % fissionable = .false. + + ! Loop around nuclides in material + NUC: do j = 1, m % n_nuclides + + ! Check for fission in nuclide + if (nuclides(m % nuclide(j)) % fissionable) then + m % fissionable = .true. + exit NUC + end if + + end do NUC + + end do MAT + + end subroutine check_mat_fission + end module initialize diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 1869b9709d..c024a0f431 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -292,6 +292,9 @@ contains case ('box') external_source % type_space = SRC_SPACE_BOX coeffs_reqd = 6 + case ('fission') + external_source % type_space = SRC_SPACE_FISSION + coeffs_reqd = 6 case ('point') external_source % type_space = SRC_SPACE_POINT coeffs_reqd = 3 diff --git a/src/material_header.F90 b/src/material_header.F90 index cbfd917498..4f996a7e00 100644 --- a/src/material_header.F90 +++ b/src/material_header.F90 @@ -21,6 +21,10 @@ module material_header ! Temporary names read during initialization character(12), allocatable :: names(:) ! isotope names character(12), allocatable :: sab_names(:) ! name of S(a,b) table + + ! Does this material contain fissionable nuclides? + logical :: fissionable + end type Material end module material_header diff --git a/src/source.F90 b/src/source.F90 index 9dcfd01445..d23c90b71b 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -135,6 +135,39 @@ contains end do call p % clear() + case (SRC_SPACE_FISSION) + ! Set particle defaults + call p % initialize() + ! Repeat sampling source location until a good site has been found + found = .false. + do while (.not.found) + ! Coordinates sampled uniformly over a box + p_min = external_source % params_space(1:3) + p_max = external_source % params_space(4:6) + r = (/ (prn(), i = 1,3) /) + site % xyz = p_min + r*(p_max - p_min) + + ! Fill p with needed data + p % coord0 % xyz = site % xyz + p % coord0 % uvw = [ ONE, ZERO, ZERO ] + + ! Now search to see if location exists in geometry + call find_cell(p, found) + if (.not. found) then + num_resamples = num_resamples + 1 + if (num_resamples == MAX_EXTSRC_RESAMPLES) then + message = "Maximum number of external source spatial resamples & + &reached!" + call fatal_error() + end if + cycle + end if + if (.not. materials(p % material) % fissionable) then + found = .false. + call p % initialize() + end if + end do + case (SRC_SPACE_POINT) ! Point source site % xyz = external_source % params_space From a3df011e7c1b319aa6f24921c024b64bfa700c7b Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 5 Sep 2014 15:01:56 -0400 Subject: [PATCH 108/187] added documentation for fission box source --- docs/source/usersguide/input.rst | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index c9aa8cc866..4a92305bcc 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -311,6 +311,12 @@ attributes/sub-elements: parallelepiped and the last three of which specify the upper-right corner. Source sites are sampled uniformly through that parallelepiped. + To filter a "box" spatial distribution by fissionable material, specify + "fission" tag instead of "box". The ``parameters`` should be given as six + real numbers, the first three of which specify the lower-left corner of a + parallelepiped and the last three of which specify the upper-right + corner. Source sites are sampled uniformly through that parallelepiped. + For a "point" spatial distribution, ``parameters`` should be given as three real numbers which specify the (x,y,z) location of an isotropic point source From 1159c2f3e963caa94b4ac7a915169d4b15c844c1 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 5 Sep 2014 15:55:33 -0400 Subject: [PATCH 109/187] clear particle after fission sampling --- src/source.F90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/source.F90 b/src/source.F90 index d23c90b71b..d742c78109 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -167,6 +167,7 @@ contains call p % initialize() end if end do + call p % clear() case (SRC_SPACE_POINT) ! Point source From 7cdb34e2fd362209bd6c4388d738d66486996610 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 09:01:24 -0400 Subject: [PATCH 110/187] moved location where materials are set to fissionable --- src/ace.F90 | 19 +++++++++++++++++++ src/initialize.F90 | 35 ----------------------------------- 2 files changed, 19 insertions(+), 35 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 58f7fd5707..1586c4dc6d 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -172,6 +172,25 @@ contains ! Avoid some valgrind leak errors call already_read % clear() + ! Loop around material + MAT: do i = 1, n_materials + + ! Get material + m => materials(i) + + ! Loop around nuclides in material + NUC: do j = 1, m % n_nuclides + + ! Check for fission in nuclide + if (nuclides(m % nuclide(j)) % fissionable) then + m % fissionable = .true. + exit NUC + end if + + end do NUC + + end do MAT + end subroutine read_xs !=============================================================================== diff --git a/src/initialize.F90 b/src/initialize.F90 index 586051a9b2..7d4adad493 100644 --- a/src/initialize.F90 +++ b/src/initialize.F90 @@ -108,9 +108,6 @@ contains ! Create linked lists for multiple instances of the same nuclide call same_nuclide_list() - ! Check for fissionable material - call check_mat_fission() - ! Construct unionized energy grid from cross-sections if (grid_method == GRID_UNION) then call time_unionize % start() @@ -901,36 +898,4 @@ contains end subroutine allocate_banks -!=============================================================================== -! CHECK_MAT_FISSION checks material for fissionable nuclides -!=============================================================================== - - subroutine check_mat_fission() - - integer :: i ! Material index counter - integer :: j ! Nuclide index counter - type(Material), pointer :: m => null() - - ! Loop around material - MAT: do i = 1, n_materials - - ! Get material - m => materials(i) - m % fissionable = .false. - - ! Loop around nuclides in material - NUC: do j = 1, m % n_nuclides - - ! Check for fission in nuclide - if (nuclides(m % nuclide(j)) % fissionable) then - m % fissionable = .true. - exit NUC - end if - - end do NUC - - end do MAT - - end subroutine check_mat_fission - end module initialize From deb3934152821e896b99c72fc0da357d0f2c5658 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 09:02:51 -0400 Subject: [PATCH 111/187] default fissionable material to false --- src/material_header.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/material_header.F90 b/src/material_header.F90 index 4f996a7e00..fca735fd2a 100644 --- a/src/material_header.F90 +++ b/src/material_header.F90 @@ -23,7 +23,7 @@ module material_header character(12), allocatable :: sab_names(:) ! name of S(a,b) table ! Does this material contain fissionable nuclides? - logical :: fissionable + logical :: fissionable = .false. end type Material From 6d65923da28f5aab230cf60e7eedaa88bf6f660a Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 09:05:31 -0400 Subject: [PATCH 112/187] accounted for void material --- src/source.F90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/source.F90 b/src/source.F90 index d742c78109..94d81d5060 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -162,6 +162,7 @@ contains end if cycle end if + if (p % material == MATERIAL_VOID) cycle if (.not. materials(p % material) % fissionable) then found = .false. call p % initialize() From e877f9aba0a994fa06880a2416507f2719569b1f Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 09:10:17 -0400 Subject: [PATCH 113/187] fixed variable names when setting materials to fissionable --- src/ace.F90 | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 1586c4dc6d..8067439e1e 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -173,23 +173,23 @@ contains call already_read % clear() ! Loop around material - MAT: do i = 1, n_materials + MATERIAL_LOOP3: do i = 1, n_materials ! Get material - m => materials(i) + mat => materials(i) ! Loop around nuclides in material - NUC: do j = 1, m % n_nuclides + NUCLIDE_LOOP2: do j = 1, mat % n_nuclides ! Check for fission in nuclide - if (nuclides(m % nuclide(j)) % fissionable) then - m % fissionable = .true. - exit NUC + if (nuclides(mat % nuclide(j)) % fissionable) then + mat % fissionable = .true. + exit NUCLIDE_LOOP2 end if - end do NUC + end do NUCLIDE_LOOP2 - end do MAT + end do MATERIAL_LOOP3 end subroutine read_xs From 02dc33dd7d6bae0b87fceaa6f3e46e39a5e5ef13 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 09:52:37 -0400 Subject: [PATCH 114/187] updated preprocessing directives --- src/cmfd_solver.F90 | 46 ++++++++++++------------------------------- src/matrix_header.F90 | 8 +++++--- src/vector_header.F90 | 4 +++- 3 files changed, 21 insertions(+), 37 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 614362e40d..cc27b98574 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -102,8 +102,11 @@ contains use constants, only: ONE, ZERO use error, only: fatal_error - use global, only: cmfd, cmfd_write_matrices, message, cmfd_shift, keff, & + use global, only: cmfd, message, cmfd_shift, keff, & cmfd_ktol, cmfd_stol +#ifdef PETSC + use global, only: cmfd_write_matrices +#endif logical :: adjoint @@ -177,6 +180,9 @@ contains subroutine compute_adjoint() + use error, only: fatal_error + use global, only: message +#ifdef PETSC use global, only: cmfd_write_matrices ! Transpose matrices @@ -188,6 +194,10 @@ contains call loss % write_petsc_binary('adj_lossmat.bin') call prod % write_petsc_binary('adj_prodmat.bin') end if +#else + message = 'Adjoint calculations only allowed with PETSc' + call fatal_error() +#endif end subroutine compute_adjoint @@ -624,43 +634,13 @@ contains else filename = 'fluxvec.bin' end if +#ifdef PETSC call phi_n % write_petsc_binary(filename) +#endif end if end subroutine extract_results -!=============================================================================== -! INDICES_TO_MATRIX takes (x,y,z,g) indices and computes location in matrix -!=============================================================================== - - subroutine indices_to_matrix(g, i, j, k, matidx, ng, nx, ny) - - use global, only: cmfd, cmfd_coremap - - integer :: matidx ! the index location in matrix - integer :: i ! current x index - integer :: j ! current y index - integer :: k ! current z index - integer :: g ! current group index - integer :: nx ! maximum number of x cells - integer :: ny ! maximum number of y cells - integer :: ng ! maximum number of groups - - ! Check if coremap is used - if (cmfd_coremap) then - - ! Get idx from core map - matidx = ng*(cmfd % coremap(i,j,k)) - (ng - g) - - else - - ! Compute index - matidx = g + ng*(i - 1) + ng*nx*(j - 1) + ng*nx*ny*(k - 1) - - end if - - end subroutine indices_to_matrix - !=============================================================================== ! MATRIX_TO_INDICES converts a matrix index to spatial and group indicies !=============================================================================== diff --git a/src/matrix_header.F90 b/src/matrix_header.F90 index eed6a91fb9..3f5aa204f7 100644 --- a/src/matrix_header.F90 +++ b/src/matrix_header.F90 @@ -27,13 +27,15 @@ module matrix_header procedure :: assemble => matrix_assemble procedure :: get_row => matrix_get_row procedure :: get_col => matrix_get_col - procedure :: setup_petsc => matrix_setup_petsc - procedure :: write_petsc_binary => matrix_write_petsc_binary - procedure :: transpose => matrix_transpose procedure :: vector_multiply => matrix_vector_multiply procedure :: search_indices => matrix_search_indices procedure :: write => matrix_write procedure :: copy => matrix_copy +# ifdef PETSC + procedure :: setup_petsc => matrix_setup_petsc + procedure :: write_petsc_binary => matrix_write_petsc_binary + procedure :: transpose => matrix_transpose +# endif end type matrix #ifdef PETSC diff --git a/src/vector_header.F90 b/src/vector_header.F90 index aab9b2bde0..4d8cb2cf5c 100644 --- a/src/vector_header.F90 +++ b/src/vector_header.F90 @@ -21,9 +21,11 @@ module vector_header procedure :: create => vector_create procedure :: destroy => vector_destroy procedure :: add_value => vector_add_value + procedure :: copy => vector_copy +# ifdef PETSC procedure :: setup_petsc => vector_setup_petsc procedure :: write_petsc_binary => vector_write_petsc_binary - procedure :: copy => vector_copy +# endif end type Vector integer :: petsc_err ! petsc error code From cf8c51d5af0f845cad2a0b38d94cd9c4ff2e95ad Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 10:02:44 -0400 Subject: [PATCH 115/187] removed some comments and fixed compilation error --- src/cmfd_solver.F90 | 3 --- src/input_xml.F90 | 6 ------ 2 files changed, 9 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index cc27b98574..49efe988dd 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -687,9 +687,6 @@ contains subroutine finalize() ! Destroy all objects -#ifdef PETSC - call gmres % destroy() -#endif call loss % destroy() call prod % destroy() call phi_n % destroy() diff --git a/src/input_xml.F90 b/src/input_xml.F90 index e615f9c16e..039e0419c3 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -777,12 +777,6 @@ contains call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') then cmfd_run = .true. -!#ifndef PETSC -! if (master) then -! message = 'CMFD is not available, compile OpenMC with PETSc' -! call fatal_error() -! end if -!#endif end if end if From 7398a1e8004b105b47f6d13f463e284f62d73b93 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 10:07:59 -0400 Subject: [PATCH 116/187] fixed misspelling for cmfd_matrices --- src/cmfd_input.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 09f02e61b3..61d6f6eaba 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -190,7 +190,7 @@ contains ! Output logicals if (check_for_node(doc, "write_matrices")) then - call get_node_value(doc, "write_matices", temp_str) + call get_node_value(doc, "write_matrices", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_write_matrices = .true. From 58723fa0ecf1a90665032392c88b0ed556006e0f Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 10:11:36 -0400 Subject: [PATCH 117/187] write matrices when option is set --- src/cmfd_solver.F90 | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 49efe988dd..11989ff4f6 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -104,9 +104,7 @@ contains use error, only: fatal_error use global, only: cmfd, message, cmfd_shift, keff, & cmfd_ktol, cmfd_stol -#ifdef PETSC use global, only: cmfd_write_matrices -#endif logical :: adjoint @@ -150,8 +148,10 @@ contains ! Setup petsc for everything call loss % assemble() call prod % assemble() - call loss % write('loss.dat') - call prod % write('prod.dat') + if (cmfd_write_matrices) then + call loss % write('loss.dat') + call prod % write('prod.dat') + end if ! Set norms to 0 norm_n = ZERO From a6fa726e18daef8fe0daf70ee7ff73e7645da4ce Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 28 Feb 2014 23:26:02 -0500 Subject: [PATCH 118/187] added option to write out initial source guess --- src/global.F90 | 3 +++ src/input_xml.F90 | 8 ++++++++ src/source.F90 | 11 +++++++++++ 3 files changed, 22 insertions(+) diff --git a/src/global.F90 b/src/global.F90 index b07132270d..7ec2f0f19c 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -299,6 +299,9 @@ module global ! Particle restart run logical :: particle_restart_run = .false. + ! Write out initial source + logical :: write_initial_source = .false. + ! ============================================================================ ! CMFD VARIABLES diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 039e0419c3..842c104b36 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -262,6 +262,14 @@ contains call fatal_error() end if + ! Check if we want to write out source + if (check_for_node(node_source, "write_initial")) then + call get_node_value(node_source, "write_initial", temp_str) + call lower_case(temp_str) + if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & + write_initial_source = .true. + end if + ! Check for external source file if (check_for_node(node_source, "file")) then ! Copy path of source file diff --git a/src/source.F90 b/src/source.F90 index 9dcfd01445..090ea93d1e 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -27,6 +27,7 @@ contains subroutine initialize_source() + character(MAX_FILE_LEN) :: filename integer(8) :: i ! loop index over bank sites integer(8) :: id ! particle id integer(4) :: itmp ! temporary integer @@ -76,6 +77,16 @@ contains end do end if + ! Write out initial source + if (write_initial_source) then + message = 'Writing out initial source guess...' + call write_message(1) + filename = 'initial_source.h5' + call sp % file_create(filename, serial = .false.) + call sp % write_source_bank() + call sp % file_close() + end if + end subroutine initialize_source !=============================================================================== From 0a31e55e95539ad3b6fee25e16c6586ca55891f4 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sun, 2 Mar 2014 18:28:14 -0500 Subject: [PATCH 119/187] flushing now performed with sets --- src/cmfd_execute.F90 | 20 ++++---------------- src/cmfd_input.F90 | 24 +++++++++++++++--------- src/global.F90 | 8 +++----- 3 files changed, 22 insertions(+), 30 deletions(-) diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index 35485a8945..e4e849436f 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -82,8 +82,8 @@ contains subroutine cmfd_init_batch() - use global, only: cmfd_begin, cmfd_on, cmfd_tally_on, & - cmfd_inact_flush, cmfd_act_flush, cmfd_run, & + use global, only: cmfd_begin, cmfd_on, cmfd_tally_on, & + cmfd_reset, cmfd_run, & current_batch, cmfd_hold_weights ! Check to activate CMFD diffusion and possible feedback @@ -97,21 +97,9 @@ contains ! If this is a restart run and we are just replaying batches leave if (restart_run .and. current_batch <= restart_batch) return - ! Check to flush cmfd tallies for active batches, no more inactive flush - if (cmfd_run .and. cmfd_act_flush == current_batch) then + ! Check to reset tallies + if (cmfd_run .and. cmfd_reset % contains(current_batch)) then call cmfd_tally_reset() - cmfd_tally_on = .true. - cmfd_inact_flush(2) = -1 - end if - - ! Check to flush cmfd tallies during inactive batches (>= on number of - ! flushes important as the code will flush on the first batch which we - ! dont want to count) - if (cmfd_run .and. mod(current_batch,cmfd_inact_flush(1)) & - == 0 .and. cmfd_inact_flush(2) > 0 .and. cmfd_begin < current_batch) then - cmfd_hold_weights = .true. - call cmfd_tally_reset() - cmfd_inact_flush(2) = cmfd_inact_flush(2) - 1 end if end subroutine cmfd_init_batch diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 61d6f6eaba..93454ce4c2 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -68,6 +68,7 @@ contains integer :: ng integer, allocatable :: iarray(:) + integer, allocatable :: int_array(:) logical :: file_exists ! does cmfd.xml exist? logical :: found character(MAX_LINE_LEN) :: filename @@ -216,15 +217,20 @@ contains cmfd_tally_on = .false. end if - ! Inactive batch flush window - if (check_for_node(doc, "inactive_flush")) & - call get_node_value(doc, "inactive_flush", cmfd_inact_flush(1)) - if (check_for_node(doc, "num_flushes")) & - call get_node_value(doc, "num_flushes", cmfd_inact_flush(2)) - - ! Last flush before active batches - if (check_for_node(doc, "active_flush")) & - call get_node_value(doc, "active_flush", cmfd_act_flush) + ! Check for cmfd tally resets + if (check_for_node(doc, "tally_reset")) then + n_cmfd_resets = get_arraysize_integer(doc, "tally_reset") + else + n_cmfd_resets = 0 + end if + if (n_cmfd_resets > 0) then + allocate(int_array(n_cmfd_resets)) + call get_node_array(doc, "tally_reset", int_array) + do i = 1, n_cmfd_resets + call cmfd_reset % add(int_array(i)) + end do + deallocate(int_array) + end if ! Get display if (check_for_node(doc, "display")) & diff --git a/src/global.F90 b/src/global.F90 index 7ec2f0f19c..02a87051f4 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -347,11 +347,9 @@ module global ! Batch to begin cmfd integer :: cmfd_begin = 1 - ! When and how long to flush cmfd tallies during inactive batches - integer :: cmfd_inact_flush(2) = (/9999,1/) - - ! Batch to last flush before active batches - integer :: cmfd_act_flush = 0 + ! Tally reset list + integer :: n_cmfd_resets + type(SetInt) :: cmfd_reset ! Compute effective downscatter cross section logical :: cmfd_downscatter = .false. From 16a20d10e816b4b75f03e2d1df40d9a4f1955ece Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sun, 2 Mar 2014 18:52:23 -0500 Subject: [PATCH 120/187] added flag for cmfd debug printing --- src/CMakeLists.txt | 10 +++++ src/cmfd_data.F90 | 90 +++++++++++++++++++++++++++++++++++++++++++- src/cmfd_execute.F90 | 25 +++++++++++- 3 files changed, 123 insertions(+), 2 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index fc6c6630cc..033ce2a020 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -26,6 +26,7 @@ option(debug "Compile with debug flags" OFF) option(optimize "Turn on all compiler optimization flags" OFF) option(verbose "Create verbose Makefiles" OFF) option(coverage "Compile with flags" OFF) +option(cmfd_debug "Compile with cmfd debug flags" OFF) if (verbose) set(CMAKE_VERBOSE_MAKEFILE on) @@ -214,6 +215,15 @@ if(GIT_SHA1_SUCCESS EQUAL 0) add_definitions(-DGIT_SHA1="${GIT_SHA1}") endif() +#=============================================================================== +# CMFD debug flags +#=============================================================================== + +if (cmfd_debug) + message("-- CMFD Debug flags on") + add_definitions(-DCMFD_DEBUG) +endif() + #=============================================================================== # FoX Fortran XML Library #=============================================================================== diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index b5612dcd05..7962760cbf 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -56,7 +56,7 @@ contains ONE, TINY_BIT use error, only: fatal_error use global, only: cmfd, message, n_cmfd_tallies, cmfd_tallies, meshes,& - matching_bins + matching_bins, current_batch use mesh, only: mesh_indices_to_bin use mesh_header, only: StructuredMesh use string, only: to_str @@ -71,6 +71,7 @@ contains integer :: k ! iteration counter for z integer :: g ! iteration counter for g integer :: h ! iteration counter for outgoing groups + integer :: l ! iteration counter for leakage debug integer :: ital ! tally object index integer :: ijk(3) ! indices for mesh cell integer :: score_index ! index to pull from tally object @@ -80,6 +81,8 @@ contains integer :: i_filter_eout ! index for outgoing energy filter integer :: i_filter_surf ! index for surface filter real(8) :: flux ! temp variable for flux + real(8) :: leak1 ! group 1 leakage + real(8) :: leak2 ! group 2 leakage type(TallyObject), pointer :: t => null() ! pointer for tally object type(StructuredMesh), pointer :: m => null() ! pointer for mesh object @@ -301,6 +304,91 @@ contains if (associated(t)) nullify(t) if (associated(m)) nullify(m) +#ifdef CMFD_DEBUG + open(file='cmfd_src_' // trim(to_str(current_batch)) // '.dat', unit=100) + open(file='source_bank_' // trim(to_str(current_batch)) // '.dat', unit=101) + open(file='openmc_src_' // trim(to_str(current_batch)) // '.dat', unit=102) + open(file='totalxs1_' // trim(to_str(current_batch)) // '.dat', unit=103) + open(file='totalxs2_' // trim(to_str(current_batch)) // '.dat', unit=104) + open(file='p1scattxs1_' // trim(to_str(current_batch)) // '.dat', unit=105) + open(file='p1scattxs2_' // trim(to_str(current_batch)) // '.dat', unit=106) + open(file='scattxs11_' // trim(to_str(current_batch)) // '.dat', unit=107) + open(file='scattxs12_' // trim(to_str(current_batch)) // '.dat', unit=108) + open(file='scattxs21_' // trim(to_str(current_batch)) // '.dat', unit=109) + open(file='scattxs22_' // trim(to_str(current_batch)) // '.dat', unit=110) + open(file='nufissxs11_' // trim(to_str(current_batch)) // '.dat', unit=111) + open(file='nufissxs12_' // trim(to_str(current_batch)) // '.dat', unit=112) + open(file='nufissxs21_' // trim(to_str(current_batch)) // '.dat', unit=113) + open(file='nufissxs22_' // trim(to_str(current_batch)) // '.dat', unit=114) + open(file='diff_coef1_' // trim(to_str(current_batch)) // '.dat', unit=115) + open(file='diff_coef2_' // trim(to_str(current_batch)) // '.dat', unit=116) + open(file='flux1_' // trim(to_str(current_batch)) // '.dat', unit=117) + open(file='flux2_' // trim(to_str(current_batch)) // '.dat', unit=118) + open(file='leak1_' // trim(to_str(current_batch)) // '.dat', unit=119) + open(file='leak2_' // trim(to_str(current_batch)) // '.dat', unit=120) + + do i = 1, nx + do j = 1,ny + leak1 = ZERO + leak2 = ZERO + do l = 1, 3 + leak1 = leak1 + ((cmfd % current(4*l,1,i,j,1) - & + cmfd % current(4*l-1,1,i,j,1))) - & + ((cmfd % current(4*l-2,1,i,j,1) - & + cmfd % current(4*l-3,1,i,j,1))) + end do + do l = 1, 3 + leak2 = leak2 + ((cmfd % current(4*l,2,i,j,1) - & + cmfd % current(4*l-1,2,i,j,1))) - & + ((cmfd % current(4*l-2,2,i,j,1) - & + cmfd % current(4*l-3,2,i,j,1))) + end do + write(100,*) cmfd % cmfd_src(1,i,j,1) + write(101,*) cmfd % sourcecounts(1,i,j,1) + write(102,*) cmfd % openmc_src(1,i,j,1) + write(103,*) cmfd % totalxs(1,i,j,1) + write(104,*) cmfd % totalxs(2,i,j,1) + write(105,*) cmfd % p1scattxs(1,i,j,1) + write(106,*) cmfd % p1scattxs(2,i,j,1) + write(107,*) cmfd % scattxs(1,1,i,j,1) + write(108,*) cmfd % scattxs(1,2,i,j,1) + write(109,*) cmfd % scattxs(2,1,i,j,1) + write(110,*) cmfd % scattxs(2,2,i,j,1) + write(111,*) cmfd % nfissxs(1,1,i,j,1) + write(112,*) cmfd % nfissxs(1,2,i,j,1) + write(113,*) cmfd % nfissxs(2,1,i,j,1) + write(114,*) cmfd % nfissxs(2,2,i,j,1) + write(115,*) cmfd % diffcof(1,i,j,1) + write(116,*) cmfd % diffcof(2,i,j,1) + write(117,*) cmfd % flux(1,i,j,1) + write(118,*) cmfd % flux(2,i,j,1) + write(119,*) leak1 + write(120,*) leak2 + end do + end do + close(100) + close(101) + close(102) + close(103) + close(104) + close(105) + close(106) + close(107) + close(108) + close(109) + close(110) + close(111) + close(112) + close(113) + close(114) + close(115) + close(116) + close(117) + close(118) + close(119) + close(120) +#endif + end subroutine compute_xs !=============================================================================== diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index e4e849436f..a1b8853042 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -69,7 +69,7 @@ contains call calc_fission_source() ! calculate weight factors - if (cmfd_feedback) call cmfd_reweight(.true.) + call cmfd_reweight(.true.) ! stop cmfd timer if (master) call time_cmfd % stop() @@ -132,6 +132,7 @@ contains use constants, only: CMFD_NOACCEL, ZERO, TWO use global, only: cmfd, cmfd_coremap, master, entropy_on, current_batch + use string, only: to_str #ifdef MPI use global, only: mpi_err @@ -238,6 +239,15 @@ contains cmfd % src_cmp(current_batch) = sqrt(ONE/cmfd % norm * & sum((cmfd % cmfd_src - cmfd % openmc_src)**2)) +#ifdef CMFD_DEBUG + open(file='cmfd_src_' // trim(to_str(current_batch)) // '.dat', unit=100) + do i = 1, nx + do j = 1,ny + write(100,*) cmfd % sourcecounts(1,i,j,1) + end do + end do + close(100) +#endif end if #ifdef MPI @@ -260,6 +270,7 @@ contains use mesh_header, only: StructuredMesh use mesh, only: count_bank_sites, get_mesh_indices use search, only: binary_search + use string, only: to_str #ifdef MPI use global, only: mpi_err @@ -273,6 +284,7 @@ contains integer :: nz ! maximum number of cells in z direction integer :: ng ! maximum number of energy groups integer :: i ! iteration counter + integer :: j ! iteration counter integer :: ijk(3) ! spatial bin location integer :: e_bin ! energy bin of source particle integer :: n_groups ! number of energy groups @@ -327,8 +339,19 @@ contains cmfd % weightfactors = cmfd % cmfd_src/sum(cmfd % cmfd_src)* & sum(cmfd % sourcecounts) / cmfd % sourcecounts end where +#ifdef CMFD_DEBUG + open(file='source_bank_' // trim(to_str(current_batch)) // '.dat', unit=101) + do i = 1, nx + do j = 1,ny + write(101,*) cmfd % sourcecounts(1,i,j,1) + end do + end do + close(101) +#endif end if +if (.not. cmfd_feedback) return + ! Broadcast weight factors to all procs #ifdef MPI call MPI_BCAST(cmfd % weightfactors, ng*nx*ny*nz, MPI_REAL8, 0, & From cf1ace33032acb370b383c6e72bf7b33b830ef3c Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sun, 2 Mar 2014 19:39:16 -0500 Subject: [PATCH 121/187] added option to reset dhats --- src/cmfd_data.F90 | 6 ------ src/cmfd_execute.F90 | 2 +- src/cmfd_input.F90 | 8 ++++++++ 3 files changed, 9 insertions(+), 7 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index 7962760cbf..df6b38e910 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -305,8 +305,6 @@ contains if (associated(m)) nullify(m) #ifdef CMFD_DEBUG - open(file='cmfd_src_' // trim(to_str(current_batch)) // '.dat', unit=100) - open(file='source_bank_' // trim(to_str(current_batch)) // '.dat', unit=101) open(file='openmc_src_' // trim(to_str(current_batch)) // '.dat', unit=102) open(file='totalxs1_' // trim(to_str(current_batch)) // '.dat', unit=103) open(file='totalxs2_' // trim(to_str(current_batch)) // '.dat', unit=104) @@ -343,8 +341,6 @@ contains ((cmfd % current(4*l-2,2,i,j,1) - & cmfd % current(4*l-3,2,i,j,1))) end do - write(100,*) cmfd % cmfd_src(1,i,j,1) - write(101,*) cmfd % sourcecounts(1,i,j,1) write(102,*) cmfd % openmc_src(1,i,j,1) write(103,*) cmfd % totalxs(1,i,j,1) write(104,*) cmfd % totalxs(2,i,j,1) @@ -366,8 +362,6 @@ contains write(120,*) leak2 end do end do - close(100) - close(101) close(102) close(103) close(104) diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index a1b8853042..f89f8c3c46 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -243,7 +243,7 @@ contains open(file='cmfd_src_' // trim(to_str(current_batch)) // '.dat', unit=100) do i = 1, nx do j = 1,ny - write(100,*) cmfd % sourcecounts(1,i,j,1) + write(100,*) cmfd % cmfd_src(1,i,j,1) end do end do close(100) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 93454ce4c2..39c780173f 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -165,6 +165,14 @@ contains cmfd_downscatter = .true. end if + ! Run an adjoint calc + if (check_for_node(doc, "dhat_reset")) then + call get_node_value(doc, "dhat_reset", temp_str) + call lower_case(temp_str) + if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & + dhat_reset = .true. + end if + ! Set the solver type if (check_for_node(doc, "solver")) & call get_node_value(doc, "solver", cmfd_solver_type) From ccbd5b712817b09f4f8ec41beaaa3e18ba87cb23 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sun, 2 Mar 2014 19:42:15 -0500 Subject: [PATCH 122/187] added fix neutron balance option --- src/cmfd_input.F90 | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 39c780173f..2cd3d1f619 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -165,7 +165,7 @@ contains cmfd_downscatter = .true. end if - ! Run an adjoint calc + ! Reset dhat parameters if (check_for_node(doc, "dhat_reset")) then call get_node_value(doc, "dhat_reset", temp_str) call lower_case(temp_str) @@ -173,6 +173,14 @@ contains dhat_reset = .true. end if + ! Enforce perfect neutorn balance + if (check_for_node(doc, "balance")) then + call get_node_value(doc, "balance", temp_str) + call lower_case(temp_str) + if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & + cmfd_fix_balance = .true. + end if + ! Set the solver type if (check_for_node(doc, "solver")) & call get_node_value(doc, "solver", cmfd_solver_type) From 4de45e7b08b9d6a71a8d1c38b9de2bdd066f4809 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Mon, 3 Mar 2014 11:16:50 -0500 Subject: [PATCH 123/187] dhats can be reset from cmfd input --- src/cmfd_data.F90 | 25 +++++++++++++++++++++---- 1 file changed, 21 insertions(+), 4 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index df6b38e910..1a35ac09bc 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -10,8 +10,6 @@ module cmfd_data private public :: set_up_cmfd, neutron_balance - logical :: dhat_reset = .false. - contains !============================================================================== @@ -705,7 +703,8 @@ contains subroutine compute_dhat() use constants, only: CMFD_NOACCEL, ZERO - use global, only: cmfd, cmfd_coremap + use global, only: cmfd, cmfd_coremap, message, dhat_reset + use output, only: write_message integer :: nx ! maximum number of cells in x direction integer :: ny ! maximum number of cells in y direction @@ -825,7 +824,9 @@ contains cmfd%dhat(l,g,i,j,k) = dhat ! check for dhat reset - if (dhat_reset) cmfd%dhat(l,g,i,j,k) = ZERO + if (dhat_reset) then + cmfd%dhat(l,g,i,j,k) = ZERO + end if end do LEAK @@ -837,6 +838,12 @@ contains end do ZLOOP + ! write that dhats are zero + if (dhat_reset) then + message = 'Dhats reset to zero.' + call write_message(1) + end if + end subroutine compute_dhat !=============================================================================== @@ -914,6 +921,16 @@ contains real(8) :: siga1 ! group 1 abs xs real(8) :: siga2 ! group 2 abs xs real(8) :: sigs12_eff ! effective downscatter xs + real(8) :: a ! matrix (1,1) element for balance + real(8) :: b ! matrix (1,2) element for balance + real(8) :: c ! matrix (2,1) element for balance + real(8) :: d ! matrix (2,2) element for balance + real(8) :: r1 ! right hand side element 1 + real(8) :: r2 ! right hand side element 2 + real(8) :: det ! determinant of balance matrix + + message = 'Correcting neutron balance' + call write_message(1) ! Extract spatial and energy indices from object nx = cmfd % indices(1) From d1e46a22ec3cd49c068dc96ab1ab367a47f9323e Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sat, 15 Mar 2014 08:18:07 -0400 Subject: [PATCH 124/187] added keff balance --- src/cmfd_data.F90 | 52 +++++++++++++++++++++++++++++++++------------ src/cmfd_header.F90 | 3 +++ 2 files changed, 42 insertions(+), 13 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index 1a35ac09bc..dc5db8352c 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -31,6 +31,9 @@ contains ! Compute effective downscatter cross section if (cmfd_downscatter) call compute_effective_downscatter() + ! Compute perfect balance + if (cmfd_fix_balance) call fix_neutron_balance() + ! Check neutron balance call neutron_balance() @@ -104,6 +107,8 @@ contains cmfd % hxyz(2,:,:,:) = m % width(2) ! set y width cmfd % hxyz(3,:,:,:) = m % width(3) ! set z width + cmfd % keff_bal = ZERO + ! Begin loop around tallies TAL: do ital = 1, n_cmfd_tallies @@ -212,6 +217,7 @@ contains ! Bank source cmfd % openmc_src(g,i,j,k) = cmfd % openmc_src(g,i,j,k) + & t % results(2,score_index) % sum + cmfd % keff_bal = cmfd % keff_bal + t % results(2,score_index) % sum / dble(t % n_realizations) end do INGROUP @@ -703,8 +709,9 @@ contains subroutine compute_dhat() use constants, only: CMFD_NOACCEL, ZERO - use global, only: cmfd, cmfd_coremap, message, dhat_reset + use global, only: cmfd, cmfd_coremap, message, dhat_reset, current_batch use output, only: write_message + use string, only: to_str integer :: nx ! maximum number of cells in x direction integer :: ny ! maximum number of cells in y direction @@ -738,6 +745,9 @@ contains nxyz(1,:) = (/1,nx/) nxyz(2,:) = (/1,ny/) nxyz(3,:) = (/1,nz/) +#ifdef CMFD_DEBUG + open(file='cmfd_dhat_' // trim(to_str(current_batch)) // '.dat', unit=125) +#endif ! Geting loop over group and spatial indices ZLOOP: do k = 1,nz @@ -828,6 +838,9 @@ contains cmfd%dhat(l,g,i,j,k) = ZERO end if +#ifdef CMFD_DEBUG + write(125,*) dhat +#endif end do LEAK end do GROUP @@ -844,6 +857,10 @@ contains call write_message(1) end if +#ifdef CMFD_DEBUG + close(unit=125) +#endif + end subroutine compute_dhat !=============================================================================== @@ -889,12 +906,12 @@ contains !=============================================================================== ! FIX_NEUTRON_BALANCE is a method to adjust parameters to have perfect balance !=============================================================================== -#ifdef DEVELOPMENTAL + subroutine fix_neutron_balance() use constants, only: ONE, ZERO, CMFD_NOACCEL - use global, only: cmfd, keff - use, intrinsic :: ISO_FORTRAN_ENV + use global, only: cmfd, message + use output, only: write_message integer :: nx ! number of mesh cells in x direction integer :: ny ! number of mesh cells in y direction @@ -928,6 +945,7 @@ contains real(8) :: r1 ! right hand side element 1 real(8) :: r2 ! right hand side element 2 real(8) :: det ! determinant of balance matrix + real(8) :: keff_bal ! keffective for balance eq. message = 'Correcting neutron balance' call write_message(1) @@ -938,6 +956,10 @@ contains nz = cmfd % indices(3) ng = cmfd % indices(4) + keff_bal = cmfd % keff_bal + + print *, 'KEFF BALANCE is:', keff_bal + ! Return if not two groups if (ng /= 2) return @@ -995,14 +1017,16 @@ contains siga1 = sigt1 - sigs11 - sigs12 siga2 = sigt2 - sigs22 - sigs21 - ! Compute effective downscatter xs - sigs12_eff = (ONE/keff*nsigf11*flux1 - leak1 - siga1*flux1 & - - ONE/keff*nsigf21/siga2*leak2 ) / ( flux1*(ONE & - - ONE/keff*nsigf21/siga2)) - - ! Redefine flux 2 - flux2 = (sigs12_eff*flux1 - leak2)/siga2 - cmfd % flux(2,i,j,k) = flux2 + ! Create matrix and solve for effective downscatter and thermal flux + a = flux1 + b = -ONE/keff_bal*nsigf21 + c = flux1 + d = -siga2 + ONE/keff_bal*nsigf22 + det = a*d - b*c + r1 = ONE/keff_bal*nsigf11*flux1 - siga1*flux1 - leak1 + r2 = leak2 - ONE/keff_bal*nsigf12*flux1 + sigs12_eff = ONE/det*(d*r1 - b*r2) + flux2 = ONE/det*(a*r2 - c*r1) ! Recompute total cross sections (use effective and no upscattering) sigt1 = siga1 + sigs11 + sigs12_eff @@ -1018,6 +1042,9 @@ contains ! Zero out upscatter cross section cmfd % scattxs(2,1,i,j,k) = ZERO + ! Record thermal flux + cmfd % flux(2,i,j,k) = flux2 + end do XLOOP end do YLOOP @@ -1025,7 +1052,6 @@ contains end do ZLOOP end subroutine fix_neutron_balance -#endif !=============================================================================== ! COMPUTE_EFFECTIVE_DOWNSCATTER changes downscatter rate for zero upscatter diff --git a/src/cmfd_header.F90 b/src/cmfd_header.F90 index 73bc0e0163..c9bc0f32af 100644 --- a/src/cmfd_header.F90 +++ b/src/cmfd_header.F90 @@ -83,6 +83,9 @@ module cmfd_header ! List of CMFD k real(8), allocatable :: k_cmfd(:) + ! Balance keff + real(8) :: keff_bal + end type cmfd_type contains From d26b2da8bc4936a0e3d2d50c74205f9e4f6e6fad Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 11:51:52 -0400 Subject: [PATCH 125/187] updated documentation and removed some unncessary vars --- docs/source/usersguide/input.rst | 136 +++++++++++++++++++++---------- src/cmfd_execute.F90 | 3 +- src/cmfd_input.F90 | 14 ++-- src/global.F90 | 1 - 4 files changed, 97 insertions(+), 57 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index c9aa8cc866..301f7f52de 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1238,14 +1238,26 @@ Currently, it allows users to accelerate fission source convergence during inactive neutron batches. To run CMFD, the ```` element in ``settings.xml`` should be set to "true". -```` Element --------------------------- +```` Element +-------------------- -The ```` element controls the batch where CMFD tallies should be -reset. CMFD tallies should be reset before active batches so they are accumulated -without bias. +The ```` element specifies the absolute inner tolerance on the Gauss-Seidel +when performing CMFD calculations. It is only used in the standalone CMFD solver +and not when PETSc is active. + + *Default*: 1.e-10 + +```` Element +------------------- + +The ```` element controls whether exact neutron balance should be enforced +from CMFD tallies before creating CMFD matrices. This changes effective downscatter +cross section and thermal flux to create exact balance. It should be noted that +this option has led to instabilities when performing CMFD. It can be turned on +with "true" and off with "false". + + *Default*: false - *Default*: 0 ```` Element ------------------- @@ -1268,7 +1280,25 @@ The ```` element sets one additional CMFD output column. Options are: * "source" - prints the RMS [%] between the OpenMC fission source and CMFD fission source. - *Default*: None + *Default*: balance + +```` Element +------------------- + +The ```` element controls whether dhat nonlinear CMFD parameters +should be reset to zero before solving CMFD eigenproblem. It can be turned on with +"true" and off with "false". + + *Default*: false + +```` Element +------------------- + +The ```` element controls whether an effective downscatter cross +section should be used when using 2-group CMFD. It can be turned on with "true" +and off with "false". + + *Default*: false ```` Element ---------------------- @@ -1279,25 +1309,6 @@ It can be turned on with "true" and off with "false". *Default*: false -```` Element ----------------------- - -The ```` element controls if cmfd tallies should be accumulated -during inactive batches. For some applications, CMFD tallies may not be -needed until the start of active batches. This option can be turned on -with "true" and off with "false" - - *Default*: true - -```` Element ----------------------------- - -The ```` element controls when CMFD tallies are reset during -inactive batches. The integer set here is the interval at which this reset -occurs. The amout of resets is controlled with the ```` element. - - *Defualt*: 9999 - ```` Element ------------------------- @@ -1305,9 +1316,16 @@ The ```` element is used to view the convergence of linear GMRES iterations in PETSc. This option can be turned on with "true" and turned off with "false". - *Default*: false +```` Element +-------------------- + +The ```` element specifies the tolerance on the eigenvalue when performing +CMFD power iteration. + + *Default*: 1.e-8 + ```` Element ------------------ @@ -1376,14 +1394,6 @@ not impact the calculation. *Default*: 1.0 -```` Element -------------------------- - -The ```` element controls the number of CMFD tally resets that -occur during inactive CMFD batches. - - *Default*: 9999 - ```` Element --------------------------- @@ -1392,20 +1402,21 @@ This option can be turned on with "true" and turned off with "false". *Default*: false +```` Element +-------------------- + +The ```` element specifies the relative inner tolerance on the Gauss-Seidel +when performing CMFD calculations. It is only used in the standalone CMFD solver +and not when PETSc is active. + + *Default*: 1.e-5 + ```` Element ------------------------- The ```` element can be turned on with "true" to have an adjoint -calculation be performed on the last batch when CMFD is active. - - *Default*: false - -```` Element --------------------------- - -The ```` element is used to view the convergence of the nonlinear SNES -function in PETSc. This option can be turned on with "true" and turned off with "false". - +calculation be performed on the last batch when CMFD is active. OpenMC should be +compiled with PETSc when using this option. *Default*: false @@ -1418,6 +1429,41 @@ By setting "power", power iteration is used and by setting "jfnk", JFNK is used. *Default*: power +```` Element +-------------------- + +The ```` element specifies an optional Wielandt shift parameter for +accelerating power iterations. It can only be used when PETSc is not active. +It is by default very large so the impact of the shift is effectively zero. + + *Default*: 1e6 + +```` Element +-------------------- + +The ```` element specifies an optional spectral radius that can be set to +accelerate the convergence of Gauss-Seidel iterations during CMFD power iteration +solve. Note this is only used in the standalone CMFD solver and does not affect +the calculation when PETSc is active. + + *Default*: power + +```` Element +-------------------- + +The ```` element specifies the tolerance on the fission source when performing +CMFD power iteration. + + *Default*: 1.e-8 + +```` Element +-------------------- + +The ```` element contains a list of batch numbers in which CMFD tallies +should be reset. + + *Default*: None + ```` Element ---------------------------- diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index f89f8c3c46..fe19bd95b7 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -82,7 +82,7 @@ contains subroutine cmfd_init_batch() - use global, only: cmfd_begin, cmfd_on, cmfd_tally_on, & + use global, only: cmfd_begin, cmfd_on, & cmfd_reset, cmfd_run, & current_batch, cmfd_hold_weights @@ -91,7 +91,6 @@ contains ! accumulated if (cmfd_run .and. cmfd_begin == current_batch) then cmfd_on = .true. - cmfd_tally_on = .true. end if ! If this is a restart run and we are just replaying batches leave diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 2cd3d1f619..0523325c9a 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -173,7 +173,7 @@ contains dhat_reset = .true. end if - ! Enforce perfect neutorn balance + ! Enforce perfect neutron balance if (check_for_node(doc, "balance")) then call get_node_value(doc, "balance", temp_str) call lower_case(temp_str) @@ -218,6 +218,10 @@ contains call get_node_value(doc, "run_adjoint", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & +#ifndef PETSC + message = 'Must use PETSc when running adjoint option.' + call fatal_error() +#endif cmfd_run_adjoint = .true. end if @@ -225,14 +229,6 @@ contains if (check_for_node(doc, "begin")) & call get_node_value(doc, "begin", cmfd_begin) - ! Tally during inactive batches - if (check_for_node(doc, "inactive")) then - call get_node_value(doc, "inactive", temp_str) - call lower_case(temp_str) - if (trim(temp_str) == 'false' .or. trim(temp_str) == '0') & - cmfd_tally_on = .false. - end if - ! Check for cmfd tally resets if (check_for_node(doc, "tally_reset")) then n_cmfd_resets = get_arraysize_integer(doc, "tally_reset") diff --git a/src/global.F90 b/src/global.F90 index 02a87051f4..3b9b8bfeea 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -367,7 +367,6 @@ module global ! CMFD run logicals logical :: cmfd_on = .false. - logical :: cmfd_tally_on = .true. ! CMFD display info character(len=25) :: cmfd_display = 'balance' From 445f3910f8cf06d5f81598164bdea5668270a650 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 9 Sep 2014 11:56:21 -0400 Subject: [PATCH 126/187] fixed titles in cmfd section --- docs/source/usersguide/input.rst | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 301f7f52de..cc2d5e7597 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1248,7 +1248,7 @@ and not when PETSc is active. *Default*: 1.e-10 ```` Element -------------------- +--------------------- The ```` element controls whether exact neutron balance should be enforced from CMFD tallies before creating CMFD matrices. This changes effective downscatter @@ -1283,7 +1283,7 @@ The ```` element sets one additional CMFD output column. Options are: *Default*: balance ```` Element -------------------- +------------------------ The ```` element controls whether dhat nonlinear CMFD parameters should be reset to zero before solving CMFD eigenproblem. It can be turned on with @@ -1292,7 +1292,7 @@ should be reset to zero before solving CMFD eigenproblem. It can be turned on wi *Default*: false ```` Element -------------------- +------------------------- The ```` element controls whether an effective downscatter cross section should be used when using 2-group CMFD. It can be turned on with "true" @@ -1439,7 +1439,7 @@ It is by default very large so the impact of the shift is effectively zero. *Default*: 1e6 ```` Element --------------------- +---------------------- The ```` element specifies an optional spectral radius that can be set to accelerate the convergence of Gauss-Seidel iterations during CMFD power iteration @@ -1449,7 +1449,7 @@ the calculation when PETSc is active. *Default*: power ```` Element --------------------- +------------------ The ```` element specifies the tolerance on the fission source when performing CMFD power iteration. @@ -1457,7 +1457,7 @@ CMFD power iteration. *Default*: 1.e-8 ```` Element --------------------- +------------------------- The ```` element contains a list of batch numbers in which CMFD tallies should be reset. From 39e272cd63b6c6785bb8c9e130f09186770830d4 Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 9 Sep 2014 13:18:43 -0400 Subject: [PATCH 127/187] added some checks on resonance scattering energy bounds and in test problem python script --- src/input_xml.F90 | 14 +++++++++++++- .../test_resonance_scattering.py | 10 ++++++---- 2 files changed, 19 insertions(+), 5 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 7132d18e65..9b8b1a3c11 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -840,12 +840,24 @@ contains call get_node_value(node_scatterer, "E_min", & nuclides_0K(i) % E_min) end if - + + ! check that E_min is non-negative + if (E_min < ZERO) then + message = "Lower resonance scattering energy bound is negative" + call fatal_error() + end if + if (check_for_node(node_scatterer, "E_max")) then call get_node_value(node_scatterer, "E_max", & nuclides_0K(i) % E_max) end if + ! check that E_max is not less than E_min + if (E_max < E_min) then + message = "Lower resonance scattering energy bound exceeds upper" + call fatal_error() + end if + nuclides_0K(i) % nuclide = trim(nuclides_0K(i) % nuclide) nuclides_0K(i) % scheme = trim(nuclides_0K(i) % scheme) call lower_case(nuclides_0K(i) % scheme) diff --git a/tests/test_resonance_scattering/test_resonance_scattering.py b/tests/test_resonance_scattering/test_resonance_scattering.py index bcc3f8a819..6fdbf87459 100644 --- a/tests/test_resonance_scattering/test_resonance_scattering.py +++ b/tests/test_resonance_scattering/test_resonance_scattering.py @@ -51,7 +51,9 @@ if __name__ == '__main__': raise Exception('Must specify OpenMC executable from command line with --exe.') # run tests - test_run() - test_created_statepoint() - test_results() - teardown() + try: + test_run() + test_created_statepoint() + test_results() + finally: + teardown() From 20cffb0c4a850ab97c8262c86734d2f566549b03 Mon Sep 17 00:00:00 2001 From: walshjon Date: Tue, 9 Sep 2014 18:47:44 -0400 Subject: [PATCH 128/187] handle case with neutron being in the lowest energy grid bin or below --- src/physics.F90 | 21 ++++++++++++++++----- 1 file changed, 16 insertions(+), 5 deletions(-) diff --git a/src/physics.F90 b/src/physics.F90 index ba317f5fd8..32d3175673 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -884,13 +884,24 @@ contains i_E_up = nuc % grid_index_0K(union_grid_index) ! interpolate xs CDF since we're not exactly at the energy indices - m = (nuc % xs_cdf(i_E_low) - nuc % xs_cdf(i_E_low - 1)) & - & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) - cdf_low = nuc % xs_cdf(i_E_low - 1) + m * (E_low - nuc % energy_0K(i_E_low)) - if (i_E_low == 1) cdf_low = ZERO + ! cdf value at lower bound attainable energy + if (i_E_low > 1) then + m = (nuc % xs_cdf(i_E_low) - nuc % xs_cdf(i_E_low - 1)) & + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + cdf_low = nuc % xs_cdf(i_E_low - 1) & + & + m * (E_low - nuc % energy_0K(i_E_low)) + else + m = nuc % xs_cdf(i_E_low) & + & / (nuc % energy_0K(i_E_low + 1) - nuc % energy_0K(i_E_low)) + cdf_low = m * (E_low - nuc % energy_0K(i_E_low)) + if (E_low <= nuc % energy_0K(1)) cdf_low = ZERO + end if + + ! cdf value at upper bound attainable energy m = (nuc % xs_cdf(i_E_up) - nuc % xs_cdf(i_E_up - 1)) & & / (nuc % energy_0K(i_E_up + 1) - nuc % energy_0K(i_E_up)) - cdf_up = nuc % xs_cdf(i_E_up - 1) + m * (E_up - nuc % energy_0K(i_E_up)) + cdf_up = nuc % xs_cdf(i_E_up - 1) & + & + m * (E_up - nuc % energy_0K(i_E_up)) ! values used to sample the Maxwellian E_mode = kT From bec72d183343a355aeb43dec0e75b47a4a065cfb Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Mon, 18 Aug 2014 22:55:35 -0400 Subject: [PATCH 129/187] Make nuclide/element names case insensitive in input. --- src/ace.F90 | 10 ++--- src/cmfd_input.F90 | 20 +++++----- src/input_xml.F90 | 99 +++++++++++++++++++++------------------------- src/output.F90 | 5 +-- src/string.F90 | 36 +++++++++++------ 5 files changed, 84 insertions(+), 86 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index 9c088693de..cacfc24366 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -11,7 +11,7 @@ module ace use material_header, only: Material use output, only: write_message use set_header, only: SetChar - use string, only: to_str + use string, only: to_str, to_lower implicit none @@ -67,8 +67,8 @@ contains name = mat % names(j) if (.not. already_read % contains(name)) then - i_listing = xs_listing_dict % get_key(name) - i_nuclide = nuclide_dict % get_key(name) + i_listing = xs_listing_dict % get_key(to_lower(name)) + i_nuclide = nuclide_dict % get_key(to_lower(name)) name = xs_listings(i_listing) % name alias = xs_listings(i_listing) % alias @@ -91,8 +91,8 @@ contains name = mat % sab_names(k) if (.not. already_read % contains(name)) then - i_listing = xs_listing_dict % get_key(name) - i_sab = sab_dict % get_key(name) + i_listing = xs_listing_dict % get_key(to_lower(name)) + i_sab = sab_dict % get_key(to_lower(name)) ! Read the ACE table into the appropriate entry on the sab_tables ! array diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 7e6ca18e53..3be4eb66a6 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -62,7 +62,7 @@ contains use error, only: fatal_error, warning use global use output, only: write_message - use string, only: lower_case + use string, only: to_lower use xml_interface use, intrinsic :: ISO_FORTRAN_ENV @@ -151,7 +151,7 @@ contains ! Set feedback logical if (check_for_node(doc, "feedback")) then call get_node_value(doc, "feedback", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_feedback = .true. end if @@ -159,7 +159,7 @@ contains ! Set downscatter logical if (check_for_node(doc, "downscatter")) then call get_node_value(doc, "downscatter", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_downscatter = .true. end if @@ -171,19 +171,19 @@ contains ! Set monitoring if (check_for_node(doc, "snes_monitor")) then call get_node_value(doc, "snes_monitor", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_snes_monitor = .true. end if if (check_for_node(doc, "ksp_monitor")) then call get_node_value(doc, "ksp_monitor", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_ksp_monitor = .true. end if if (check_for_node(doc, "power_monitor")) then call get_node_value(doc, "power_monitor", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_power_monitor = .true. end if @@ -191,7 +191,7 @@ contains ! Output logicals if (check_for_node(doc, "write_matrices")) then call get_node_value(doc, "write_matices", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_write_matrices = .true. end if @@ -199,7 +199,7 @@ contains ! Run an adjoint calc if (check_for_node(doc, "run_adjoint")) then call get_node_value(doc, "run_adjoint", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & cmfd_run_adjoint = .true. end if @@ -211,7 +211,7 @@ contains ! Tally during inactive batches if (check_for_node(doc, "inactive")) then call get_node_value(doc, "inactive", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'false' .or. trim(temp_str) == '0') & cmfd_tally_on = .false. end if @@ -405,7 +405,7 @@ contains ! Set reset property if (check_for_node(doc, "reset")) then call get_node_value(doc, "reset", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & t % reset = .true. end if diff --git a/src/input_xml.F90 b/src/input_xml.F90 index f36e4ca3a7..e2baa87a3c 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -11,7 +11,7 @@ module input_xml use output, only: write_message use plot_header use random_lcg, only: prn - use string, only: lower_case, to_str, str_to_int, str_to_real, & + use string, only: to_lower, to_str, str_to_int, str_to_real, & starts_with, ends_with use tally_header, only: TallyObject, TallyFilter use tally_initialize, only: add_tallies @@ -287,8 +287,7 @@ contains type = '' if (check_for_node(node_dist, "type")) & call get_node_value(node_dist, "type", type) - call lower_case(type) - select case (trim(type)) + select case (to_lower(type)) case ('box') external_source % type_space = SRC_SPACE_BOX coeffs_reqd = 6 @@ -337,8 +336,7 @@ contains type = '' if (check_for_node(node_dist, "type")) & call get_node_value(node_dist, "type", type) - call lower_case(type) - select case (trim(type)) + select case (to_lower(type)) case ('isotropic') external_source % type_angle = SRC_ANGLE_ISOTROPIC coeffs_reqd = 0 @@ -389,8 +387,7 @@ contains type = '' if (check_for_node(node_dist, "type")) & call get_node_value(node_dist, "type", type) - call lower_case(type) - select case (trim(type)) + select case (to_lower(type)) case ('monoenergetic') external_source % type_energy = SRC_ENERGY_MONO coeffs_reqd = 1 @@ -440,7 +437,7 @@ contains ! Survival biasing if (check_for_node(doc, "survival_biasing")) then call get_node_value(doc, "survival_biasing", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & survival_biasing = .true. end if @@ -448,7 +445,7 @@ contains ! Probability tables if (check_for_node(doc, "ptables")) then call get_node_value(doc, "ptables", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'false' .or. trim(temp_str) == '0') & urr_ptables_on = .false. end if @@ -679,19 +676,19 @@ contains ! Check if the user has specified to write binary source file if (check_for_node(node_sp, "separate")) then call get_node_value(node_sp, "separate", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. & trim(temp_str) == '1') source_separate = .true. end if if (check_for_node(node_sp, "write")) then call get_node_value(node_sp, "write", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'false' .or. & trim(temp_str) == '0') source_write = .false. end if if (check_for_node(node_sp, "overwrite_latest")) then call get_node_value(node_sp, "overwrite_latest", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. & trim(temp_str) == '1') then source_latest = .true. @@ -726,7 +723,7 @@ contains ! batch if (check_for_node(doc, "no_reduce")) then call get_node_value(doc, "no_reduce", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & reduce_tallies = .false. end if @@ -735,7 +732,7 @@ contains ! uncertainties rather than standard deviations if (check_for_node(doc, "confidence_intervals")) then call get_node_value(doc, "confidence_intervals", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. & trim(temp_str) == '1') confidence_intervals = .true. end if @@ -749,7 +746,7 @@ contains ! Check for summary option if (check_for_node(node_output, "summary")) then call get_node_value(node_output, "summary", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. & trim(temp_str) == '1') output_summary = .true. end if @@ -757,7 +754,7 @@ contains ! Check for cross sections option if (check_for_node(node_output, "cross_sections")) then call get_node_value(node_output, "cross_sections", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. & trim(temp_str) == '1') output_xs = .true. end if @@ -765,7 +762,7 @@ contains ! Check for ASCII tallies output option if (check_for_node(node_output, "tallies")) then call get_node_value(node_output, "tallies", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'false' .or. & trim(temp_str) == '0') output_tallies = .false. end if @@ -774,7 +771,7 @@ contains ! Check for cmfd run if (check_for_node(doc, "run_cmfd")) then call get_node_value(doc, "run_cmfd", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') then cmfd_run = .true. #ifndef PETSC @@ -789,8 +786,7 @@ contains ! Natural element expansion option if (check_for_node(doc, "natural_elements")) then call get_node_value(doc, "natural_elements", temp_str) - call lower_case(temp_str) - select case (temp_str) + select case (to_lower(temp_str)) case ('endf/b-vii.0') default_expand = ENDF_BVII0 case ('endf/b-vii.1') @@ -923,8 +919,7 @@ contains word = '' if (check_for_node(node_cell, "material")) & call get_node_value(node_cell, "material", word) - call lower_case(word) - select case(word) + select case(to_lower(word)) case ('void') c % material = MATERIAL_VOID @@ -1093,8 +1088,7 @@ contains word = '' if (check_for_node(node_surf, "type")) & call get_node_value(node_surf, "type", word) - call lower_case(word) - select case(trim(word)) + select case(to_lower(word)) case ('x-plane') s % type = SURF_PX coeffs_reqd = 1 @@ -1155,8 +1149,7 @@ contains word = '' if (check_for_node(node_surf, "boundary")) & call get_node_value(node_surf, "boundary", word) - call lower_case(word) - select case (trim(word)) + select case (to_lower(word)) case ('transmission', 'transmit', '') s % bc = BC_TRANSMIT case ('vacuum') @@ -1218,8 +1211,7 @@ contains word = '' if (check_for_node(node_lat, "type")) & call get_node_value(node_lat, "type", word) - call lower_case(word) - select case (trim(word)) + select case (to_lower(word)) case ('rect', 'rectangle', 'rectangular') lat % type = LATTICE_RECT case ('hex', 'hexagon', 'hexagonal') @@ -1450,8 +1442,7 @@ contains end if ! Adjust material density based on specified units - call lower_case(units) - select case(trim(units)) + select case(to_lower(units)) case ('g/cc', 'g/cm3') mat % density = -val case ('kg/m3') @@ -1606,7 +1597,7 @@ contains ALL_NUCLIDES: do j = 1, mat % n_nuclides ! Check that this nuclide is listed in the cross_sections.xml file name = trim(list_names % get_item(j)) - if (.not. xs_listing_dict % has_key(name)) then + if (.not. xs_listing_dict % has_key(to_lower(name))) then message = "Could not find nuclide " // trim(name) // & " in cross_sections.xml file!" call fatal_error() @@ -1621,20 +1612,20 @@ contains end if ! Find xs_listing and set the name/alias according to the listing - index_list = xs_listing_dict % get_key(name) + index_list = xs_listing_dict % get_key(to_lower(name)) name = xs_listings(index_list) % name alias = xs_listings(index_list) % alias ! If this nuclide hasn't been encountered yet, we need to add its name ! and alias to the nuclide_dict - if (.not. nuclide_dict % has_key(name)) then + if (.not. nuclide_dict % has_key(to_lower(name))) then index_nuclide = index_nuclide + 1 mat % nuclide(j) = index_nuclide - call nuclide_dict % add_key(name, index_nuclide) - call nuclide_dict % add_key(alias, index_nuclide) + call nuclide_dict % add_key(to_lower(name), index_nuclide) + call nuclide_dict % add_key(to_lower(alias), index_nuclide) else - mat % nuclide(j) = nuclide_dict % get_key(name) + mat % nuclide(j) = nuclide_dict % get_key(to_lower(name)) end if ! Copy name and atom/weight percent @@ -1693,7 +1684,7 @@ contains mat % sab_names(j) = name ! Check that this nuclide is listed in the cross_sections.xml file - if (.not. xs_listing_dict % has_key(name)) then + if (.not. xs_listing_dict % has_key(to_lower(name))) then message = "Could not find S(a,b) table " // trim(name) // & " in cross_sections.xml file!" call fatal_error() @@ -1701,17 +1692,17 @@ contains ! Find index in xs_listing and set the name and alias according to the ! listing - index_list = xs_listing_dict % get_key(name) + index_list = xs_listing_dict % get_key(to_lower(name)) name = xs_listings(index_list) % name ! If this S(a,b) table hasn't been encountered yet, we need to add its ! name and alias to the sab_dict - if (.not. sab_dict % has_key(name)) then + if (.not. sab_dict % has_key(to_lower(name))) then index_sab = index_sab + 1 mat % i_sab_tables(j) = index_sab - call sab_dict % add_key(name, index_sab) + call sab_dict % add_key(to_lower(name), index_sab) else - mat % i_sab_tables(j) = sab_dict % get_key(name) + mat % i_sab_tables(j) = sab_dict % get_key(to_lower(name)) end if end do end if @@ -1822,7 +1813,7 @@ contains ! Check for setting if (check_for_node(doc, "assume_separate")) then call get_node_value(doc, "assume_separate", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & assume_separate = .true. end if @@ -1855,8 +1846,7 @@ contains temp_str = '' if (check_for_node(node_mesh, "type")) & call get_node_value(node_mesh, "type", temp_str) - call lower_case(temp_str) - select case (trim(temp_str)) + select case (to_lower(temp_str)) case ('rect', 'rectangle', 'rectangular') m % type = LATTICE_RECT case ('hex', 'hexagon', 'hexagonal') @@ -2036,7 +2026,7 @@ contains temp_str = '' if (check_for_node(node_filt, "type")) & call get_node_value(node_filt, "type", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) ! Determine number of bins if (check_for_node(node_filt, "bins")) then @@ -2264,14 +2254,14 @@ contains end if ! Check to make sure nuclide specified is in problem - if (.not. nuclide_dict % has_key(word)) then + if (.not. nuclide_dict % has_key(to_lower(word))) then message = "The nuclide " // trim(word) // " from tally " // & trim(to_str(t % id)) // " is not present in any material." call fatal_error() end if ! Set bin to index in nuclides array - t % nuclide_bins(j) = nuclide_dict % get_key(word) + t % nuclide_bins(j) = nuclide_dict % get_key(to_lower(word)) end do ! Set number of nuclide bins @@ -2302,7 +2292,7 @@ contains ! (i.e., scatter-p#, flux-y#) n_new = 0 do j = 1, n_words - call lower_case(sarray(j)) + sarray(j) = to_lower(sarray(j)) ! Find if scores(j) is of the form 'moment-p' or 'moment-y' present in ! MOMENT_STRS(:) ! If so, check the order, store if OK, then reset the number to 'n' @@ -2744,7 +2734,7 @@ contains temp_str = 'slice' if (check_for_node(node_plot, "type")) & call get_node_value(node_plot, "type", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("slice") pl % type = PLOT_TYPE_SLICE @@ -2811,7 +2801,7 @@ contains temp_str = 'xy' if (check_for_node(node_plot, "basis")) & call get_node_value(node_plot, "basis", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("xy") pl % basis = PLOT_BASIS_XY @@ -2858,7 +2848,7 @@ contains temp_str = "cell" if (check_for_node(node_plot, "color")) & call get_node_value(node_plot, "color", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) select case (trim(temp_str)) case ("cell") @@ -3181,9 +3171,9 @@ contains end if ! create dictionary entry for both name and alias - call xs_listing_dict % add_key(listing % name, i) + call xs_listing_dict % add_key(to_lower(listing % name), i) if (check_for_node(node_ace, "alias")) then - call xs_listing_dict % add_key(listing % alias, i) + call xs_listing_dict % add_key(to_lower(listing % alias), i) end if end do @@ -3212,9 +3202,8 @@ contains character(2) :: element_name element_name = name(1:2) - call lower_case(element_name) - select case (element_name) + select case (to_lower(element_name)) case ('h') call list_names % append('1001.' // xs) call list_density % append(density * 0.999885_8) diff --git a/src/output.F90 b/src/output.F90 index 834c28e188..1493b82943 100644 --- a/src/output.F90 +++ b/src/output.F90 @@ -13,7 +13,7 @@ module output use mesh, only: mesh_indices_to_bin, bin_to_mesh_indices use particle_header, only: LocalCoord, Particle use plot_header - use string, only: upper_case, to_str + use string, only: to_upper, to_str use tally_header, only: TallyObject implicit none @@ -130,8 +130,7 @@ contains if (mod(len_trim(msg),2) == 0) m = m + 1 ! convert line to upper case - line = msg - call upper_case(line) + line = to_upper(msg) ! print header based on level select case (header_level) diff --git a/src/string.F90 b/src/string.F90 index f78b94d07f..d4f8873a0a 100644 --- a/src/string.F90 +++ b/src/string.F90 @@ -152,37 +152,47 @@ contains ! LOWER_CASE converts a string to all lower case characters !=============================================================================== - elemental subroutine lower_case(word) + elemental function to_lower(word) result(word_lower) - character(*), intent(inout) :: word + character(*), intent(in) :: word + character(len=len(word)) :: word_lower integer :: i integer :: ic do i = 1, len(word) ic = ichar(word(i:i)) - if (ic >= 65 .and. ic <= 90) word(i:i) = char(ic+32) + if (ic >= 65 .and. ic <= 90) then + word_lower(i:i) = char(ic+32) + else + word_lower(i:i) = word(i:i) + end if end do - end subroutine lower_case + end function to_lower !=============================================================================== ! UPPER_CASE converts a string to all upper case characters !=============================================================================== - elemental subroutine upper_case(word) + elemental function to_upper(word) result(word_upper) - character(*), intent(inout) :: word + character(*), intent(in) :: word + character(len=len(word)) :: word_upper integer :: i integer :: ic do i = 1, len(word) ic = ichar(word(i:i)) - if (ic >= 97 .and. ic <= 122) word(i:i) = char(ic-32) + if (ic >= 97 .and. ic <= 122) then + word_upper(i:i) = char(ic-32) + else + word_upper(i:i) = word(i:i) + end if end do - end subroutine upper_case + end function to_upper !=============================================================================== ! ZERO_PADDED returns a string of the input integer padded with zeros to the @@ -317,7 +327,7 @@ end function zero_padded ! the loop automatically exits when n_digits = 10. n_digits = n_digits + 1 end do - + end function count_digits !=============================================================================== @@ -349,21 +359,21 @@ end function zero_padded end function int8_to_str !=============================================================================== -! STR_TO_INT converts a string to an integer. +! STR_TO_INT converts a string to an integer. !=============================================================================== function str_to_int(str) result(num) character(*), intent(in) :: str integer(8) :: num - + character(5) :: fmt integer :: w integer :: ioError ! Determine width of string w = len_trim(str) - + ! Create format specifier for reading string write(UNIT=fmt, FMT='("(I",I2,")")') w @@ -404,7 +414,7 @@ end function zero_padded integer :: decimal ! number of places after decimal integer :: width ! total field width - real(8) :: num2 ! absolute value of number + real(8) :: num2 ! absolute value of number character(9) :: fmt ! format specifier for writing number ! set default field width From 43dafeec32614e30ba29355a3aeab1166708b992 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 09:19:38 -0400 Subject: [PATCH 130/187] if in void material resample particle site and moved particle initialize for initial source in fission regions --- src/source.F90 | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) diff --git a/src/source.F90 b/src/source.F90 index 94d81d5060..c501b633be 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -136,11 +136,12 @@ contains call p % clear() case (SRC_SPACE_FISSION) - ! Set particle defaults - call p % initialize() ! Repeat sampling source location until a good site has been found found = .false. do while (.not.found) + ! Set particle defaults + call p % initialize() + ! Coordinates sampled uniformly over a box p_min = external_source % params_space(1:3) p_max = external_source % params_space(4:6) @@ -162,11 +163,8 @@ contains end if cycle end if - if (p % material == MATERIAL_VOID) cycle - if (.not. materials(p % material) % fissionable) then - found = .false. - call p % initialize() - end if + if (p % material == MATERIAL_VOID) found = .false. + if (.not. materials(p % material) % fissionable) found = .false. end do call p % clear() From 9e8c7531c5cf17544a92aef2042e71149dc93142 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 09:23:03 -0400 Subject: [PATCH 131/187] must cycle when encountering material void when performing initial fission source box --- src/source.F90 | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/source.F90 b/src/source.F90 index c501b633be..5f928436b9 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -163,7 +163,10 @@ contains end if cycle end if - if (p % material == MATERIAL_VOID) found = .false. + if (p % material == MATERIAL_VOID) then + found = .false. + cycle + end if if (.not. materials(p % material) % fissionable) found = .false. end do call p % clear() From d1050fa194dcfeea2338837a5659c2ae565d1ba0 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 09:30:46 -0400 Subject: [PATCH 132/187] indented 5 spaces for line continuation --- src/cmfd_input.F90 | 44 ++++++++++++++++++++++---------------------- 1 file changed, 22 insertions(+), 22 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 61d6f6eaba..0a27b6a19c 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -153,7 +153,7 @@ contains call get_node_value(doc, "feedback", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_feedback = .true. + cmfd_feedback = .true. end if ! Set downscatter logical @@ -161,31 +161,31 @@ contains call get_node_value(doc, "downscatter", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_downscatter = .true. + cmfd_downscatter = .true. end if ! Set the solver type if (check_for_node(doc, "solver")) & - call get_node_value(doc, "solver", cmfd_solver_type) + call get_node_value(doc, "solver", cmfd_solver_type) ! Set monitoring if (check_for_node(doc, "snes_monitor")) then call get_node_value(doc, "snes_monitor", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_snes_monitor = .true. + cmfd_snes_monitor = .true. end if if (check_for_node(doc, "ksp_monitor")) then call get_node_value(doc, "ksp_monitor", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_ksp_monitor = .true. + cmfd_ksp_monitor = .true. end if if (check_for_node(doc, "power_monitor")) then call get_node_value(doc, "power_monitor", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_power_monitor = .true. + cmfd_power_monitor = .true. end if ! Output logicals @@ -193,7 +193,7 @@ contains call get_node_value(doc, "write_matrices", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_write_matrices = .true. + cmfd_write_matrices = .true. end if ! Run an adjoint calc @@ -201,36 +201,36 @@ contains call get_node_value(doc, "run_adjoint", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_run_adjoint = .true. + cmfd_run_adjoint = .true. end if ! Batch to begin cmfd if (check_for_node(doc, "begin")) & - call get_node_value(doc, "begin", cmfd_begin) + call get_node_value(doc, "begin", cmfd_begin) ! Tally during inactive batches if (check_for_node(doc, "inactive")) then call get_node_value(doc, "inactive", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'false' .or. trim(temp_str) == '0') & - cmfd_tally_on = .false. + cmfd_tally_on = .false. end if ! Inactive batch flush window if (check_for_node(doc, "inactive_flush")) & - call get_node_value(doc, "inactive_flush", cmfd_inact_flush(1)) + call get_node_value(doc, "inactive_flush", cmfd_inact_flush(1)) if (check_for_node(doc, "num_flushes")) & - call get_node_value(doc, "num_flushes", cmfd_inact_flush(2)) + call get_node_value(doc, "num_flushes", cmfd_inact_flush(2)) ! Last flush before active batches if (check_for_node(doc, "active_flush")) & - call get_node_value(doc, "active_flush", cmfd_act_flush) + call get_node_value(doc, "active_flush", cmfd_act_flush) ! Get display if (check_for_node(doc, "display")) & - call get_node_value(doc, "display", cmfd_display) + call get_node_value(doc, "display", cmfd_display) if (trim(cmfd_display) == 'dominance' .and. & - trim(cmfd_solver_type) /= 'power') then + trim(cmfd_solver_type) /= 'power') then message = 'Dominance Ratio only aviable with power iteration solver' call warning() cmfd_display = '' @@ -238,17 +238,17 @@ contains ! Read in spectral radius estimate and tolerances if (check_for_node(doc, "spectral")) & - call get_node_value(doc, "spectral", cmfd_spectral) + call get_node_value(doc, "spectral", cmfd_spectral) if (check_for_node(doc, "shift")) & - call get_node_value(doc, "shift", cmfd_shift) + call get_node_value(doc, "shift", cmfd_shift) if (check_for_node(doc, "ktol")) & - call get_node_value(doc, "ktol", cmfd_ktol) + call get_node_value(doc, "ktol", cmfd_ktol) if (check_for_node(doc, "stol")) & - call get_node_value(doc, "stol", cmfd_stol) + call get_node_value(doc, "stol", cmfd_stol) if (check_for_node(doc, "atoli")) & - call get_node_value(doc, "atoli", cmfd_atoli) + call get_node_value(doc, "atoli", cmfd_atoli) if (check_for_node(doc, "rtoli")) & - call get_node_value(doc, "rtoli", cmfd_rtoli) + call get_node_value(doc, "rtoli", cmfd_rtoli) ! Create tally objects call create_cmfd_tally(doc) @@ -421,7 +421,7 @@ contains call get_node_value(doc, "reset", temp_str) call lower_case(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - t % reset = .true. + t % reset = .true. end if ! Set up mesh filter From 736f236a284d6d2cda9f6318b6a80dfeac85467d Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 09:36:46 -0400 Subject: [PATCH 133/187] remove commented out code --- src/cmfd_solver.F90 | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 11989ff4f6..9a2ebceb1b 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -429,7 +429,6 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) its = igs -!print *, igs, err, w if (err < tol) exit ! Calculation new overrelaxation parameter @@ -569,8 +568,6 @@ contains ! Check convergence err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) its = igs -!print *, igs, err, w -!read * if (err < tol) exit ! Calculation new overrelaxation parameter From 2c98fd3d6e486c916dc099a1ebfaafced0199940 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 15 Apr 2014 17:26:45 -0400 Subject: [PATCH 134/187] added capability for more than 2 groups --- src/cmfd_solver.F90 | 105 +++++++++++++++++++++++++++++++++++++++++--- 1 file changed, 99 insertions(+), 6 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 11989ff4f6..dd343d87fc 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -132,7 +132,7 @@ contains guess = ONE phi_n % val = guess phi_o % val = guess - k_n = keff + k_n = keff k_o = k_n dw = cmfd_shift k_s = k_o + dw @@ -162,10 +162,9 @@ contains case(1) cmfd_linsolver => cmfd_linsolver_1g case(2) - cmfd_linsolver => cmfd_linsolver_2g + cmfd_linsolver => cmfd_linsolver_ng case default - message = 'Must use PETSc for more than 2 groups' - call fatal_error() + cmfd_linsolver => cmfd_linsolver_ng end select ! Set tolerances @@ -306,7 +305,7 @@ contains subroutine convergence(iter, innerits) - use constants, only: ONE, TINY_BIT + use constants, only: ONE, ZERO use global, only: cmfd_power_monitor, master use, intrinsic :: ISO_FORTRAN_ENV @@ -320,7 +319,7 @@ contains kerr = abs(k_o - k_n)/k_n ! Calculate max error in source - where (s_n % val > TINY_BIT) + where (s_n % val > ZERO) serr_v % val = ((s_n % val - s_o % val)/s_n % val)**2 end where serr = sqrt(ONE/dble(s_n % n) * sum(serr_v % val)) @@ -582,6 +581,100 @@ contains end subroutine cmfd_linsolver_2g +!=============================================================================== +! CMFD_LINSOLVER_ng solves the CMFD linear system +!=============================================================================== + + subroutine cmfd_linsolver_ng(A, b, x, tol, its) + + use constants, only: ONE, ZERO + use global, only: cmfd, cmfd_spectral + + type(Matrix) :: A ! coefficient matrix + type(Vector) :: b ! right hand side vector + type(Vector) :: x ! unknown vector + real(8) :: tol ! tolerance on final error + integer :: its ! number of inner iterations + + integer :: g ! group index + integer :: i ! loop counter for x + integer :: j ! loop counter for y + integer :: k ! loop counter for z + integer :: n ! total size of vector + integer :: nx ! maximum dimension in x direction + integer :: ny ! maximum dimension in y direction + integer :: nz ! maximum dimension in z direction + integer :: ng ! number of energy groups + integer :: igs ! Gauss-Seidel iteration counter + integer :: irow ! row iteration + integer :: icol ! iteration counter over columns + integer :: didx ! index for diagonal component + logical :: found ! did we find col + real(8) :: tmp1 ! temporary sum g1 + real(8) :: x1 ! new g1 value of x + real(8) :: err ! error in convergence of solution + real(8) :: w ! overrelaxation parameter + type(Vector) :: tmpx ! temporary solution vector + + ! Set overrelaxation parameter + w = ONE + + ! Dimensions + ng = 1 + nx = cmfd % indices(1) + ny = cmfd % indices(2) + nz = cmfd % indices(3) + n = A % n + + ! Perform Gauss Seidel iterations + GS: do igs = 1, 10000 + + ! Copy over x vector + call tmpx % copy(x) + + ! Begin loop around matrix rows + ROWS: do irow = 1, n + + ! Get spatial location + call matrix_to_indices(irow, g, i, j, k, ng, nx, ny, nz) + + ! Get the index of the diagonals for both rows + call A % search_indices(irow, irow, didx, found) + + ! Perform temporary sums, first do left of diag block, then right of diag block + tmp1 = ZERO + do icol = A % get_row(irow), didx - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) +! print *,A % val(icol),x % val(A % get_col(icol)) + end do + do icol = didx + 1, A % get_row(irow + 1) - 1 + tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) +! print *,A % val(icol),x % val(A % get_col(icol)) + end do + + ! Solve for new x + x1 = (b % val(irow) - tmp1)/A % val(didx) +!print *, irow, b % val(irow), tmp1, A % val(didx), x1 + ! Perform overrelaxation + x % val(irow) = (ONE - w)*x % val(irow) + w*x1 +!stop + end do ROWS + + ! Check convergence + err = sqrt(sum(((tmpx % val - x % val)/tmpx % val)**2)/n) + its = igs + + if (err < tol) exit + + ! Calculation new overrelaxation parameter + w = ONE/(ONE - 0.25_8*cmfd_spectral*w) + + end do GS + + call tmpx % destroy() + + end subroutine cmfd_linsolver_ng + !=============================================================================== ! EXTRACT_RESULTS takes results and puts them in CMFD global data object !=============================================================================== From b93de8ffc6f3f9fa10c54fce4ba5ec8fc6db4836 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 15 Apr 2014 17:29:39 -0400 Subject: [PATCH 135/187] use zero --- src/cmfd_power_solver.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/cmfd_power_solver.F90 b/src/cmfd_power_solver.F90 index 65b60bc891..f80c122b71 100644 --- a/src/cmfd_power_solver.F90 +++ b/src/cmfd_power_solver.F90 @@ -242,7 +242,7 @@ contains subroutine convergence(iter) - use constants, only: ONE, TINY_BIT + use constants, only: ONE, ZERO use global, only: cmfd_power_monitor, master use, intrinsic :: ISO_FORTRAN_ENV @@ -255,7 +255,7 @@ contains kerr = abs(k_o - k_n)/k_n ! Calculate max error in source - where (s_n % val > TINY_BIT) + where (s_n % val > ZERO) serr_v % val = ((s_n % val - s_o % val)/s_n % val)**2 end where serr = sqrt(ONE/dble(s_n % n) * sum(serr_v % val)) From 55d105cf68c881d94121906b0ca21e0eec4d74df Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 18 Apr 2014 10:02:19 -0400 Subject: [PATCH 136/187] fixed using more than 2 groups --- src/cmfd_execute.F90 | 28 ++++++---------------------- 1 file changed, 6 insertions(+), 22 deletions(-) diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index fe19bd95b7..645722e618 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -291,7 +291,6 @@ contains logical :: in_mesh ! source site is inside mesh type(StructuredMesh), pointer :: m ! point to mesh - real(8), allocatable :: egrid(:) ! energy grid ! Associate pointer m => meshes(n_user_meshes + 1) @@ -312,19 +311,16 @@ contains cmfd % weightfactors = ONE end if - ! Allocate energy grid and reverse cmfd energy grid - if (.not. allocated(egrid)) allocate(egrid(ng + 1)) - egrid = (/(cmfd % egrid(ng - i + 2), i = 1, ng + 1)/) - ! Compute new weight factors if (new_weights) then ! Zero out weights - cmfd%weightfactors = ZERO + cmfd%weightfactors = ONE - ! Count bank sites in mesh - call count_bank_sites(m, source_bank, cmfd%sourcecounts, egrid, & + ! Count bank sites in mesh and reverse due to egrid structure + call count_bank_sites(m, source_bank, cmfd%sourcecounts, cmfd % egrid, & sites_outside=outside, size_bank=work) + cmfd % sourcecounts = cmfd%sourcecounts(ng:1:-1,:,:,:) ! Check for sites outside of the mesh if (master .and. outside) then @@ -338,25 +334,16 @@ contains cmfd % weightfactors = cmfd % cmfd_src/sum(cmfd % cmfd_src)* & sum(cmfd % sourcecounts) / cmfd % sourcecounts end where -#ifdef CMFD_DEBUG - open(file='source_bank_' // trim(to_str(current_batch)) // '.dat', unit=101) - do i = 1, nx - do j = 1,ny - write(101,*) cmfd % sourcecounts(1,i,j,1) - end do - end do - close(101) -#endif end if -if (.not. cmfd_feedback) return + if (.not. cmfd_feedback) return ! Broadcast weight factors to all procs #ifdef MPI call MPI_BCAST(cmfd % weightfactors, ng*nx*ny*nz, MPI_REAL8, 0, & MPI_COMM_WORLD, mpi_err) #endif - end if + end if ! begin loop over source bank do i = 1, int(work,4) @@ -393,9 +380,6 @@ if (.not. cmfd_feedback) return end do - ! Deallocate all - if (allocated(egrid)) deallocate(egrid) - end subroutine cmfd_reweight !=============================================================================== From 47d2fe37ba4598620c1c3134d430d2701e3eed9c Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 18 Apr 2014 10:06:34 -0400 Subject: [PATCH 137/187] switch back to 2g solver --- src/cmfd_solver.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index dd343d87fc..8567bd7636 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -162,7 +162,7 @@ contains case(1) cmfd_linsolver => cmfd_linsolver_1g case(2) - cmfd_linsolver => cmfd_linsolver_ng + cmfd_linsolver => cmfd_linsolver_2g case default cmfd_linsolver => cmfd_linsolver_ng end select From b347c46018ddbd8c3903fac2d475ffa4dbd8c82c Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 10:00:15 -0400 Subject: [PATCH 138/187] cleaned up code --- src/cmfd_data.F90 | 37 +++++++++++++++++++------------------ src/cmfd_execute.F90 | 3 +-- src/cmfd_input.F90 | 1 + src/cmfd_solver.F90 | 10 ++++++---- src/constants.F90 | 3 --- src/global.F90 | 6 +++--- 6 files changed, 30 insertions(+), 30 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index dc5db8352c..ef637b4c0b 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -20,7 +20,8 @@ contains use cmfd_header, only: allocate_cmfd use constants, only: CMFD_NOACCEL - use global, only: cmfd, cmfd_coremap, cmfd_downscatter + use global, only: cmfd, cmfd_coremap, cmfd_downscatter, & + cmfd_fix_balance ! Check for core map and set it up if ((cmfd_coremap) .and. (cmfd%mat_dim == CMFD_NOACCEL)) call set_coremap() @@ -57,12 +58,16 @@ contains ONE, TINY_BIT use error, only: fatal_error use global, only: cmfd, message, n_cmfd_tallies, cmfd_tallies, meshes,& - matching_bins, current_batch + matching_bins use mesh, only: mesh_indices_to_bin use mesh_header, only: StructuredMesh use string, only: to_str use tally_header, only: TallyObject +#ifdef CMFD_DEBUG + use global, only: current_batch +#endif + integer :: nx ! number of mesh cells in x direction integer :: ny ! number of mesh cells in y direction integer :: nz ! number of mesh cells in z direction @@ -72,7 +77,6 @@ contains integer :: k ! iteration counter for z integer :: g ! iteration counter for g integer :: h ! iteration counter for outgoing groups - integer :: l ! iteration counter for leakage debug integer :: ital ! tally object index integer :: ijk(3) ! indices for mesh cell integer :: score_index ! index to pull from tally object @@ -82,10 +86,13 @@ contains integer :: i_filter_eout ! index for outgoing energy filter integer :: i_filter_surf ! index for surface filter real(8) :: flux ! temp variable for flux - real(8) :: leak1 ! group 1 leakage - real(8) :: leak2 ! group 2 leakage type(TallyObject), pointer :: t => null() ! pointer for tally object type(StructuredMesh), pointer :: m => null() ! pointer for mesh object +#ifdef CMFD_DEBUG + integer :: l ! iteration counter for leakage debug + real(8) :: leak1 ! group 1 leakage + real(8) :: leak2 ! group 2 leakage +#endif ! Extract spatial and energy indices from object nx = cmfd % indices(1) @@ -709,9 +716,12 @@ contains subroutine compute_dhat() use constants, only: CMFD_NOACCEL, ZERO - use global, only: cmfd, cmfd_coremap, message, dhat_reset, current_batch + use global, only: cmfd, cmfd_coremap, message, dhat_reset use output, only: write_message use string, only: to_str +#ifdef CMFD_DEBUG + use global, only: current_batch +#endif integer :: nx ! maximum number of cells in x direction integer :: ny ! maximum number of cells in y direction @@ -869,8 +879,8 @@ contains function get_reflector_albedo(l, g, i, j, k) - use constants, only: ALBEDO_REJECT - use global, only: cmfd, cmfd_hold_weights + use constants, only: ONE + use global, only: cmfd real(8) :: get_reflector_albedo ! reflector albedo integer, intent(in) :: i ! iteration counter for x @@ -892,8 +902,7 @@ contains ! Calculate albedo if ((shift_idx == 1 .and. current(2*l ) < 1.0e-10_8) .or. & (shift_idx == -1 .and. current(2*l-1) < 1.0e-10_8)) then - albedo = ALBEDO_REJECT - cmfd_hold_weights = .true. + albedo = ONE else albedo = (current(2*l-1)/current(2*l))**(shift_idx) end if @@ -958,8 +967,6 @@ contains keff_bal = cmfd % keff_bal - print *, 'KEFF BALANCE is:', keff_bal - ! Return if not two groups if (ng /= 2) return @@ -1007,12 +1014,6 @@ contains nsigf12 = cmfd % nfissxs(1,2,i,j,k) nsigf22 = cmfd % nfissxs(2,2,i,j,k) - ! Check for no fission into group 2 - if (.not.(nsigf12 < 1e-6_8 .and. nsigf22 < 1e-6_8)) then - write(OUTPUT_UNIT,'(A,1PE11.4,1X,1PE11.4)') 'Fission in G=2', & - nsigf12,nsigf22 - end if - ! Compute absorption xs siga1 = sigt1 - sigs11 - sigs12 siga2 = sigt2 - sigs22 - sigs21 diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index 645722e618..7aee715ebe 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -84,7 +84,7 @@ contains use global, only: cmfd_begin, cmfd_on, & cmfd_reset, cmfd_run, & - current_batch, cmfd_hold_weights + current_batch ! Check to activate CMFD diffusion and possible feedback ! this guarantees that when cmfd begins at least one batch of tallies are @@ -283,7 +283,6 @@ contains integer :: nz ! maximum number of cells in z direction integer :: ng ! maximum number of energy groups integer :: i ! iteration counter - integer :: j ! iteration counter integer :: ijk(3) ! spatial bin location integer :: e_bin ! energy bin of source particle integer :: n_groups ! number of energy groups diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 0523325c9a..32625034c3 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -66,6 +66,7 @@ contains use xml_interface use, intrinsic :: ISO_FORTRAN_ENV + integer :: i integer :: ng integer, allocatable :: iarray(:) integer, allocatable :: int_array(:) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 8567bd7636..45bc918a14 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -102,9 +102,8 @@ contains use constants, only: ONE, ZERO use error, only: fatal_error - use global, only: cmfd, message, cmfd_shift, keff, & - cmfd_ktol, cmfd_stol - use global, only: cmfd_write_matrices + use global, only: cmfd, cmfd_shift, keff, cmfd_ktol, cmfd_stol, & + cmfd_write_matrices logical :: adjoint @@ -180,10 +179,13 @@ contains subroutine compute_adjoint() use error, only: fatal_error +#ifndef PETSC use global, only: message -#ifdef PETSC +#else use global, only: cmfd_write_matrices +#endif +#ifdef PETSC ! Transpose matrices call loss % transpose() call prod % transpose() diff --git a/src/constants.F90 b/src/constants.F90 index 0d52e8e811..f7d419eaac 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -392,9 +392,6 @@ module constants ! constant to represent a zero flux "albedo" real(8), parameter :: ZERO_FLUX = 999.0_8 - ! constant to represent albedo rejection - real(8), parameter :: ALBEDO_REJECT = 999.0_8 - ! constant for writing out no residual real(8), parameter :: CMFD_NORES = 99999.0_8 diff --git a/src/global.F90 b/src/global.F90 index 3b9b8bfeea..e2509ce1a7 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -325,6 +325,9 @@ module global ! Flag to reset dhats to zero logical :: dhat_reset = .false. + ! Flag to enforce neutron balance + logical :: cmfd_fix_balance = .false. + ! Flag to activate neutronic feedback via source weights logical :: cmfd_feedback = .false. @@ -332,9 +335,6 @@ module global integer :: n_cmfd_meshes = 1 ! # of structured meshes integer :: n_cmfd_tallies = 3 ! # of user-defined tallies - ! Flag to hold cmfd weight adjustment factors - logical :: cmfd_hold_weights = .false. - ! Eigenvalue solver type character(len=10) :: cmfd_solver_type = 'power' From 4f8634680e04ab0144679c0a89d40d4ea8afb3f8 Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 10 Sep 2014 12:03:38 -0400 Subject: [PATCH 139/187] only use nuclide grids for resonance scattering --- src/ace_header.F90 | 4 ---- src/cross_section.F90 | 39 +++++++++++++----------------------- src/energy_grid.F90 | 18 ----------------- src/input_xml.F90 | 4 ++-- src/physics.F90 | 46 +++++++++++++++++++++++++++++++++---------- 5 files changed, 52 insertions(+), 59 deletions(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index c881a559dc..b0fec99b6c 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -117,7 +117,6 @@ module ace_header character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c character(16) :: scheme ! target velocity sampling scheme integer :: n_grid_0K ! number of 0K energy grid points - integer, allocatable :: grid_index_0K(:) ! pointers to union grid real(8), allocatable :: energy_0K(:) ! energy grid for 0K xs real(8), allocatable :: elastic_0K(:) ! Microscopic elastic cross section real(8), allocatable :: xs_cdf(:) ! CDF of v_rel times cross section @@ -372,9 +371,6 @@ module ace_header if (allocated(this % grid_index)) & deallocate(this % grid_index) - - if (allocated(this % grid_index_0K)) & - deallocate(this % grid_index_0K) if (allocated(this % energy)) & deallocate(this % energy, this % total, this % elastic, & diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 1c6ed8ae8f..0620cf11f8 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -527,37 +527,26 @@ contains real(8) :: xs_out ! 0K xs at trial energy ! Determine index on nuclide energy grid - select case (grid_method) - case (GRID_UNION) - ! If we're using the unionized grid with pointers, finding the index on - ! the nuclide energy grid is as simple as looking up the pointer - - call find_energy_index(E) - i_grid = nuc % grid_index_0K(union_grid_index) - - case (GRID_NUCLIDE) - ! If we're not using the unionized grid, we have to do a binary search on - ! the nuclide energy grid in order to determine which points to - ! interpolate between - - if (E < nuc % energy(1)) then - i_grid = 1 - elseif (E > nuc % energy(nuc % n_grid)) then - i_grid = nuc % n_grid - 1 - else - i_grid = binary_search(nuc % energy, nuc % n_grid, E) - end if - - end select + if (E < nuc % energy_0K(1)) then + i_grid = 1 + elseif (E > nuc % energy_0K(nuc % n_grid_0K)) then + i_grid = nuc % n_grid_0K - 1 + else + i_grid = binary_search(nuc % energy_0K, nuc % n_grid_0K, E) + end if ! check for rare case where two energy points are the same - if (nuc % energy_0K(i_grid) == nuc % energy_0K(i_grid+1)) i_grid = i_grid + 1 + if (nuc % energy_0K(i_grid) == nuc % energy_0K(i_grid+1)) then + i_grid = i_grid + 1 + end if ! calculate interpolation factor - f = (E - nuc%energy_0K(i_grid))/(nuc%energy_0K(i_grid+1) - nuc%energy_0K(i_grid)) + f = (E - nuc % energy_0K(i_grid)) & + & / (nuc % energy_0K(i_grid + 1) - nuc % energy_0K(i_grid)) ! Calculate microscopic nuclide elastic cross section - xs_out = (ONE - f) * nuc % elastic_0K(i_grid) + f * nuc % elastic_0K(i_grid+1) + xs_out = (ONE - f) * nuc % elastic_0K(i_grid) & + & + f * nuc % elastic_0K(i_grid + 1) end function elastic_xs_0K diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index 642b86b100..a38a305d3e 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -147,24 +147,6 @@ contains end if nuc % grid_index(j) = index_e - 1 end do - - ! set pointers for 0K energy grid to the unionized grid - if (nuc % resonant) then - allocate(nuc % grid_index_0K(n_grid)) - - index_e = 1 - energy = nuc % energy_0K(index_e) - - do j = 1, n_grid - union_energy = e_grid(j) - if (union_energy >= energy .and. index_e < nuc % n_grid_0K) then - index_e = index_e + 1 - energy = nuc % energy_0K(index_e) - end if - nuc % grid_index_0K(j) = index_e - 1 - end do - end if - end do end subroutine grid_pointers diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 9b8b1a3c11..27995597ce 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -842,7 +842,7 @@ contains end if ! check that E_min is non-negative - if (E_min < ZERO) then + if (nuclides_0K(i) % E_min < ZERO) then message = "Lower resonance scattering energy bound is negative" call fatal_error() end if @@ -853,7 +853,7 @@ contains end if ! check that E_max is not less than E_min - if (E_max < E_min) then + if (nuclides_0K(i) % E_max < nuclides_0K(i) % E_min) then message = "Lower resonance scattering energy bound exceeds upper" call fatal_error() end if diff --git a/src/physics.F90 b/src/physics.F90 index 32d3175673..e0fbf80d25 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -835,13 +835,26 @@ contains E_red = sqrt((awr * E) / kT) E_low = (((E_red - 4.0_8)**2) * kT) / awr E_up = (((E_red + 4.0_8)**2) * kT) / awr - + ! find lower and upper energy bound indices - call find_energy_index(E_low) - i_E_low = nuc % grid_index_0K(union_grid_index) - call find_energy_index(E_up) - i_E_up = nuc % grid_index_0K(union_grid_index) - + ! lower index + if (E_low < nuc % energy_0K(1)) then + i_E_low = 1 + elseif (E_low > nuc % energy_0K(nuc % n_grid_0K)) then + i_E_low = nuc % n_grid_0K - 1 + else + i_E_low = binary_search(nuc % energy_0K, nuc % n_grid_0K, E_low) + end if + + ! upper index + if (E_up < nuc % energy_0K(1)) then + i_E_up = 1 + elseif (E_up > nuc % energy_0K(nuc % n_grid_0K)) then + i_E_up = nuc % n_grid_0K - 1 + else + i_E_up = binary_search(nuc % energy_0K, nuc % n_grid_0K, E_up) + end if + ! interpolate xs since we're not exactly at the energy indices xs_low = nuc % elastic_0K(i_E_low) m = (nuc % elastic_0K(i_E_low + 1) - xs_low) & @@ -878,10 +891,23 @@ contains E_up = (((E_red + 4.0_8)**2) * kT) / awr ! find lower and upper energy bound indices - call find_energy_index(E_low) - i_E_low = nuc % grid_index_0K(union_grid_index) - call find_energy_index(E_up) - i_E_up = nuc % grid_index_0K(union_grid_index) + ! lower index + if (E_low < nuc % energy_0K(1)) then + i_E_low = 1 + elseif (E_low > nuc % energy_0K(nuc % n_grid_0K)) then + i_E_low = nuc % n_grid_0K - 1 + else + i_E_low = binary_search(nuc % energy_0K, nuc % n_grid_0K, E_low) + end if + + ! upper index + if (E_up < nuc % energy_0K(1)) then + i_E_up = 1 + elseif (E_up > nuc % energy_0K(nuc % n_grid_0K)) then + i_E_up = nuc % n_grid_0K - 1 + else + i_E_up = binary_search(nuc % energy_0K, nuc % n_grid_0K, E_up) + end if ! interpolate xs CDF since we're not exactly at the energy indices ! cdf value at lower bound attainable energy From 4d10704a8771d25537e000c1e6e7195a061699ca Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 10 Sep 2014 11:35:09 -0700 Subject: [PATCH 140/187] updated resonance scattering test --- tests/test_resonance_scattering/results_true.dat | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_resonance_scattering/results_true.dat b/tests/test_resonance_scattering/results_true.dat index 2649c4414f..62b0ac2239 100644 --- a/tests/test_resonance_scattering/results_true.dat +++ b/tests/test_resonance_scattering/results_true.dat @@ -1,2 +1,2 @@ k-combined: -6.822440E-02 6.306868E-04 +6.452021E-02 1.738736E-03 From 7c567e197a14159a8a687180a7a440e88df5382e Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 15:06:21 -0400 Subject: [PATCH 141/187] added cmfd section to theory which includes notation section --- docs/source/methods/cmfd.rst | 38 +++++++++++++++++++++++++++++++++++ docs/source/methods/index.rst | 1 + 2 files changed, 39 insertions(+) create mode 100644 docs/source/methods/cmfd.rst diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst new file mode 100644 index 0000000000..d837048f37 --- /dev/null +++ b/docs/source/methods/cmfd.rst @@ -0,0 +1,38 @@ +.. _methods_cmfd: + +================================================================ +Nonlinear Diffusion Acceleration - Coarse Mesh Finite Difference +================================================================ + +This page section discusses how nonlinear diffusion acceleration (NDA) using coarse mesh finite difference (CMFD) is implemented into OpenMC. Before we get into the theory, general notation for this section is discussed. + +-------- +Notation +-------- + +Before deriving NDA relationships, notation is explained. If a parameter has a +:math:`\overline{\cdot}`, it is surface area-averaged and if it has a +:math:`\overline{\overline\cdot}`, it is volume-averaged. When describing a +specific cell in the geometry, indices :math:`(i,j,k)` are used which correspond +to directions :math:`(x,y,z)`. In most cases, the same operation is performed in +all three directions. To compactly write this, an arbitrary direction set +:math:`(u,v,w)` that corresponds to cell indices :math:`(l,m,n)` is used. Note +that :math:`u` and :math:`l` do not have to correspond to :math:`x` and +:math:`i`. However, if :math:`u` and :math:`l` correspond to :math:`y` and +:math:`j`, :math:`v` and :math:`w` correspond to :math:`x` and :math:`z` +directions. An example of this is shown in the following expression: + +.. math:: + :label: not1 + + \sum\limits_{u\in(x,y,z)}\left\langle\overline{J}^{u,g}_{l+1/2,m,n} + \Delta_m^v\Delta_n^w\right\rangle + +Here, :math:`u` takes on each direction one at a time. The parameter :math:`J` +is surface area-averaged over the transverse indices :math:`m` and :math:`n` +located at :math:`l+1/2`. Usually, spatial indices are listed as subscripts and +the direction as a superscript. Energy group indices represented by :math:`g` +and :math:`h` are also listed as superscripts here. The group :math:`g` is the +group of interest and, if present, :math:`h` is all groups. Finally, any +parameter surrounded by :math:`\left\langle\cdot\right\rangle` represents a +tally quantity that can be edited from an MC solution. diff --git a/docs/source/methods/index.rst b/docs/source/methods/index.rst index 0ff4fb1988..1df4f324a3 100644 --- a/docs/source/methods/index.rst +++ b/docs/source/methods/index.rst @@ -16,3 +16,4 @@ Theory and Methodology tallies eigenvalue parallelization + cmfd From 3a9f2268def5f2354069f8d5ea9d78a4f76491ca Mon Sep 17 00:00:00 2001 From: walshjon Date: Wed, 10 Sep 2014 12:20:58 -0700 Subject: [PATCH 142/187] do not add 0 K energy points to union grid --- docs/source/usersguide/input.rst | 6 +++--- src/ace_header.F90 | 4 ++-- src/energy_grid.F90 | 3 --- src/physics.F90 | 5 ++--- 4 files changed, 7 insertions(+), 11 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index f50c7ff217..c22008b793 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -274,7 +274,7 @@ attributes or sub-elements: of the nuclide to which a resonance scattering treatment is to be applied. The ``method`` attribute gives the type of resonance scattering treatment that is to be applied to the ``nuclide``. Acceptable inputs - none of - which are case-sensitive - for the ``method`` attribute are ``ARTS``, + which are case-sensitive - for the ``method`` attribute are ``ARES``, ``CXS``, ``WCM``, and ``DBRC``. Descriptions of each of these methods are documented here_. The ``xs_label`` attribute gives the label for the cross section data of the ``nuclide`` at a given temperature. The @@ -291,7 +291,7 @@ attributes or sub-elements: U-238 - ARTS + ARES 92238.72c 92238.00c 5.0e-6 @@ -317,7 +317,7 @@ attributes or sub-elements: be specified, each corresponding to a single nuclide at a single temperature. - *Defaults*: None (scatterer), ARTS (method), 0.01 eV (E_min), 1.0 keV (E_max) + *Defaults*: None (scatterer), ARES (method), 0.01 eV (E_min), 1.0 keV (E_max) ```` Element ---------------------- diff --git a/src/ace_header.F90 b/src/ace_header.F90 index b0fec99b6c..6d339891c9 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -159,14 +159,14 @@ module ace_header end type Nuclide !=============================================================================== -! NUCLIDE_0K temporarily contains all 0K cross section data and other parameters +! NUCLIDE0K temporarily contains all 0K cross section data and other parameters ! needed to treat resonance scattering before transferring them to NUCLIDE !=============================================================================== type Nuclide0K character(10) :: nuclide ! name of nuclide, e.g. U-238 - character(16) :: scheme = 'arts' ! target velocity sampling scheme + character(16) :: scheme = 'ares' ! target velocity sampling scheme character(10) :: name ! name of nuclide, e.g. 92235.03c character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c real(8) :: E_min = 0.01e-6 ! lower cutoff energy for res scattering diff --git a/src/energy_grid.F90 b/src/energy_grid.F90 index a38a305d3e..66b95be0de 100644 --- a/src/energy_grid.F90 +++ b/src/energy_grid.F90 @@ -28,9 +28,6 @@ contains do i = 1, n_nuclides_total nuc => nuclides(i) call add_grid_points(list, nuc % energy) - - ! add 0K points to the grid - if (nuc % resonant) call add_grid_points(list, nuc % energy_0K) end do ! Set size of unionized energy grid diff --git a/src/physics.F90 b/src/physics.F90 index e0fbf80d25..04cc66afa2 100644 --- a/src/physics.F90 +++ b/src/physics.F90 @@ -2,8 +2,7 @@ module physics use ace_header, only: Nuclide, Reaction, DistEnergy use constants - use cross_section, only: elastic_xs_0K, find_energy_index, & - union_grid_index + use cross_section, only: elastic_xs_0K use endf, only: reaction_name use error, only: fatal_error, warning use fission, only: nu_total, nu_delayed @@ -885,7 +884,7 @@ contains if (.not. reject) exit end do - case ('arts') + case ('ares') E_red = sqrt((awr * E) / kT) E_low = (((E_red - 4.0_8)**2) * kT) / awr E_up = (((E_red + 4.0_8)**2) * kT) / awr From ce56ee4583860b56a459667ea72027da63f700e9 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 16:28:52 -0400 Subject: [PATCH 143/187] added support for tikz extension in sphinx and included first part of theory section --- docs/source/conf.py | 11 ++- docs/source/methods/cmfd.rst | 75 ++++++++++++++++++++ docs/source/methods/cmfd_tikz/cmfd_flow.tikz | 19 +++++ 3 files changed, 103 insertions(+), 2 deletions(-) create mode 100644 docs/source/methods/cmfd_tikz/cmfd_flow.tikz diff --git a/docs/source/conf.py b/docs/source/conf.py index 1943432165..16be3567d0 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -23,7 +23,7 @@ sys.path.insert(0, os.path.abspath('../sphinxext')) # Add any Sphinx extension module names here, as strings. They can be extensions # coming with Sphinx (named 'sphinx.ext.*') or your custom ones. -extensions = ['sphinx.ext.pngmath'] +extensions = ['sphinx.ext.pngmath', 'sphinxcontrib.tikz'] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] @@ -188,7 +188,14 @@ latex_documents = [ u'Massachusetts Institute of Technology', 'manual'), ] -latex_elements = {'preamble': '\\usepackage{enumitem}\\setlistdepth{9}'} +latex_elements = { +'preamble': ''' +\usepackage{enumitem} +\setlistdepth{9} +\usepackage{tikz} +\usetikzlibrary{shapes,snakes,shadows,arrows,calc,decorations.markings,patterns,fit,matrix,spy} +''' +} # The name of an image file (relative to this directory) to place at the top of # the title page. diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index d837048f37..3953825b27 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -36,3 +36,78 @@ and :math:`h` are also listed as superscripts here. The group :math:`g` is the group of interest and, if present, :math:`h` is all groups. Finally, any parameter surrounded by :math:`\left\langle\cdot\right\rangle` represents a tally quantity that can be edited from an MC solution. + +------ +Theory +------ + +NDA is a diffusion model that has equivalent physics to a transport model. There +are many different methods that can be classified as NDA. The CMFD method is a +type of NDA that represents second order multigroup diffusion equations on a +coarse spatial mesh. Whether a transport model or diffusion model is used to +represent the distribution of neutrons, these models must satisfy the *neutron +balance equation*. This balance is represented by the following formula for a +specific energy group :math:`g` in cell :math:`(l,m,n)`: + +.. math:: + :label: eq_neut_bal + + \sum\limits_{u\in(x,y,z)}\left(\left\langle\overline{J}^{u,g}_{l+1/2,m,n} + \Delta_m^v\Delta_n^w\right\rangle - + \left\langle\overline{J}^{u,g}_{l-1/2,m,n} + \Delta_m^v\Delta_n^w\right\rangle\right) + + + \left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle + = \\ + \sum\limits_{h=1}^G\left\langle + \overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow + g}\overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w + \right\rangle + + + \frac{1}{k_{eff}}\sum\limits_{h=1}^G + \left\langle\overline{\overline{\nu_f\Sigma}}_{f_{l,m,n}}^{h\rightarrow + g}\overline{\overline\phi}_{l,m,n}^h + \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle. + +In eq. :eq:`eq_neut_bal` the parameters are defined as: + +* :math:`\left\langle\overline{J}^{u,g}_{l\pm + 1/2,m,n}\Delta_m^v\Delta_n^w\right\rangle` --- surface area-integrated net + current over surface :math:`(l\pm 1/2,m,n)` with surface normal in direction + $u$ in energy group :math:`g`. By dividing this quantity by the transverse + area, :math:`\Delta_m^v\Delta_n^w`, the surface area-averaged net current can + be computed. +* :math:`\left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` + --- volume-integrated total reaction rate over energy group :math:`g`. + * :math:`\left\langle\overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow + g} + \overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` + --- volume-integrated scattering production rate of neutrons that begin with + energy in group :math:`h` and exit reaction in group :math:`g`. This reaction + rate also includes the energy transfer of reactions (except fission) that + produce multiple neutrons such as (n, 2n); hence, the need for :math:`\nu_s` + to represent neutron multiplicity. +* :math:`k_{eff}` --- core multiplication factor. +* :math:`\left\langle\overline{\overline{\nu_f\Sigma}}_{f_{l,m,n}}^{h\rightarrow + g}\overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` + --- volume-integrated fission production rate of neutrons from fissions in + group :math:`h` that exit in group :math:`g`. + +Each quantity in :math:`\left\langle\cdot\right\rangle` represents a scalar value that +is obtained from an MC tally. A good verification step when using an MC is +to make sure that tallies satisfy this balance equation within statistics. No +NDA acceleration can be performed if the balance equation is not satisfied. + +There are three major steps to consider when performing NDA: (1) calculation of +macroscopic cross sections and nonlinear parameters, (2) solving an eigenvalue +problem with a system of linear equations, and (3) modifying MC source +distribution to align with the NDA solution on a chosen mesh. This process is +illustrated as a flow chart below. After a batch of neutrons +is simulated, NDA can take place. Each of the steps described above is described +in detail in the following sections. + +.. tikz:: Flow chart of NDA process + :libs: shapes, snakes, shadows, arrows, calc, decorations.markings, patterns, fit, matrix, spy + :include: cmfd_tikz/cmfd_flow.tikz diff --git a/docs/source/methods/cmfd_tikz/cmfd_flow.tikz b/docs/source/methods/cmfd_tikz/cmfd_flow.tikz new file mode 100644 index 0000000000..0611918052 --- /dev/null +++ b/docs/source/methods/cmfd_tikz/cmfd_flow.tikz @@ -0,0 +1,19 @@ +\begin{tikzpicture} + \matrix[every node/.style={draw, thick, minimum width=3cm, minimum height=1cm, align=center}, column sep=2cm, row sep=1cm] (m) { +\node[draw, fill=red!40] (start) {Batch $i$ \\ tally NDA}; & \\ + \node[draw, diamond, aspect=2, fill=green!40] (cmfd) {Run NDA?}; & \node[draw, fill=red!40] (end) {Batch $i + 1$ \\ tally NDA}; \\ +\node[draw, fill=blue!40] (xs) {Calculate XS \& DC}; & \node[draw, fill=blue!40] (modify) {Modify MC Source}; \\ +\node[draw, fill=blue!40] (nonlinear) {Calculate Equivalence}; & \node[draw, fill=blue!40] (eqs) {Solve NDA eqs.};\\ +}; + +\begin{scope}[every path/.style={->,very thick,draw}] + \draw (start.south) -- (cmfd.north); + \draw (cmfd.east) -- node[above] {no} (end.west); + \draw (cmfd.south) -- node[right] {yes} (xs.north); + \draw (xs.south) -- (nonlinear.north); + \draw (nonlinear.east) -- (eqs.west); + \draw (eqs.north) -- (modify.south); + \draw (modify.north) -- (end.south); + \end{scope} + +\end{tikzpicture} \ No newline at end of file From 04eb1e0653e7a9bb14faa7cf3fd93f6e8b349736 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 10 Sep 2014 16:41:24 -0400 Subject: [PATCH 144/187] added calc of macro xs section --- docs/source/methods/cmfd.rst | 93 +++++++++++++++++++++++++++++++++++- 1 file changed, 92 insertions(+), 1 deletion(-) diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index 3953825b27..09f1328bfb 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -4,7 +4,9 @@ Nonlinear Diffusion Acceleration - Coarse Mesh Finite Difference ================================================================ -This page section discusses how nonlinear diffusion acceleration (NDA) using coarse mesh finite difference (CMFD) is implemented into OpenMC. Before we get into the theory, general notation for this section is discussed. +This page section discusses how nonlinear diffusion acceleration (NDA) using +coarse mesh finite difference (CMFD) is implemented into OpenMC. Before we get +into the theory, general notation for this section is discussed. -------- Notation @@ -111,3 +113,92 @@ in detail in the following sections. .. tikz:: Flow chart of NDA process :libs: shapes, snakes, shadows, arrows, calc, decorations.markings, patterns, fit, matrix, spy :include: cmfd_tikz/cmfd_flow.tikz + +Calculation of Macroscopic Cross Sections +----------------------------------------- + +A diffusion model needs macroscopic cross sections and diffusion coefficients to +solve for multigroup fluxes. Cross sections are derived by conserving reaction +rates predicted by MC tallies. From Eq. :eq:`eq_neut_bal`, total, scattering +production and fission production macroscopic cross sections are needed. They are +defined from MC tallies as follows: + +.. math:: + :label: xs1 + + \overline{\overline\Sigma}_{t_{l,m,n}}^g \equiv + \frac{\left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle} + {\left\langle\overline{\overline\phi}_{l,m,n}^g + \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle}, + +.. math:: + :label: xs2 + + \overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow g} \equiv + \frac{\left\langle\overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow + g}\overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle} + {\left\langle\overline{\overline\phi}_{l,m,n}^h + \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle} + +and + +.. math:: + :label: xs3 + + \overline{\overline{\nu_f\Sigma}}_{f_{l,m,n}}^{h\rightarrow g} \equiv + \frac{\left\langle\overline{\overline{\nu_f\Sigma}}_{f_{l,m,n}}^{h\rightarrow + g}\overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle} + {\left\langle\overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle}. + +In order to fully conserve neutron balance, leakage rates also need to be +preserved. In standard diffusion theory, leakage rates are represented by +diffusion coefficients. Unfortunately, it is not easy in MC to calculate a +single diffusion coefficient for a cell that describes leakage out of each +surface. Luckily, it does not matter what definition of diffusion coefficient is +used because nonlinear equivalence parameters will correct for this +inconsistency. However, depending on the diffusion coefficient definition +chosen, different convergence properties of NDA equations are observed. +Here, we introduce a diffusion coefficient that is derived for a coarse energy +transport reaction rate. This definition can easily be constructed from +MC tallies provided that angular moments of scattering reaction rates can +be obtained. The diffusion coefficient is defined as follows: + +.. math:: + :label: eq_transD + + \overline{\overline D}_{l,m,n}^g = + \frac{\left\langle\overline{\overline\phi}_{l,m,n}^g + \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle}{3 + \left\langle\overline{\overline\Sigma}_{tr_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g + \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle}, + +where + +.. math:: + :label: xs4 + + \left\langle\overline{\overline\Sigma}_{tr_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle + = + \left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle + \\ - + \left\langle\overline{\overline{\nu_s\Sigma}}_{s1_{l,m,n}}^g + \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle. + +Note that the transport reaction rate is calculated from the total reaction rate +reduced by the $P_1$ scattering production reaction rate. Equation :eq:`eq_transD` +does not represent the best definition of diffusion coefficients from MC; +however, it is very simple and usually fits into MC tally frameworks +easily. Different methods to calculate more accurate diffusion coefficients can +found in [Herman]_. + +---------- +References +---------- + +.. [Herman] Bryan R. Herman, Benoit Forget, Kord Smith, and Brian N. Aviles. Improved + diffusion coefficients generated from Monte Carlo codes. In *Proceedings of M&C + 2013*, Sun Valley, ID, USA, May 5 - 9 2013. 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z(MU%-j)#EWh9d%S0wWSC`*%&doq*N(vpN!f>%x^QSDGRF3^#|Khz8hA2E;0R&oZsh z1r-KxX5%vKDFEwDVrRcMH_J9_PQ*ar(ehG^7^F|iT|ZMt`f;6u;9Elo5T-bu9ZZjl zvxEbDyLazqWMqW3X9~y4NeZ>TStUyASfa1_p~hzbh_9 Date: Wed, 10 Sep 2014 22:25:47 -0400 Subject: [PATCH 146/187] added last toy problem --- docs/source/methods/cmfd.rst | 132 ++++++++++++++++++++++++++++++++++- 1 file changed, 131 insertions(+), 1 deletion(-) diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index 67967e9339..39573c2fa6 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -453,7 +453,7 @@ because no fission neutrons appear with energies in the thermal group. +--------------------------------------------------------------------------------------------+----------------+---------------------------+ +--------------------------------------------------------------------------------------------+----------------+---------------------------+ | tally | score | filter | - +--------------------------------------------------------------------------------------------+----------------+---------------------------+ + +============================================================================================+================+===========================+ | \ :math:`\left\langle\overline{\overline\phi}_{l,m,n}^g | flux | mesh, energy | | \Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` | | | +--------------------------------------------------------------------------------------------+----------------+---------------------------+ @@ -523,6 +523,136 @@ weights of neutrons from the source bank on a given spatial and energy mesh. Once weight adjustment factors were calculated, each neutron's statistical weight in the source bank was modified according to its location and energy. +------------------- +Toy Problem Example +------------------- + +Before applying CMFD to a large reactor, a simple $1$-D slab toy problem was +analyzed to understand how CMFD works. Table :ref:`tab_1Dtoyinput` presents +data used to construct this problem. For MFD, the mesh was 2 cm over the +geometry with one energy group. A comparison of fission source convergence +using Shannon entropy is shown in figure :ref:`fig_1Dentropy`. The figure +illustrates that it takes about 150 FSGs (equivalent to batches) to converge +the source with standard MC without CMFD. For the case with CMFD, it is +activated at batch 11 and directly affects the fission source for batch 12. +Convergence of the fission source is almost immediately reached. + +.. _tab_1Dtoyinput: + +.. table:: Input data for 1-D slab toy problem + + +--------------------------------------------+-------------------+ + +--------------------------------------------+-------------------+ + | Slab Length | 200 cm | + +============================================+===================+ + | Homogeneous material of :math:`\rm UO_2` | 19 g/cc density | + +--------------------------------------------+-------------------+ + | U-235 weight percent | 0.21 | + +--------------------------------------------+-------------------+ + | U-238 weight percent | 0.68 | + +--------------------------------------------+-------------------+ + | O-16 weight percent | 0.11 | + +--------------------------------------------+-------------------+ + | Number of particles per | 4,000,000 | + +--------------------------------------------+-------------------+ + | Number of inactive | 400 | + +--------------------------------------------+-------------------+ + +| +| + +.. _fig_1Dentropy: + +.. figure:: ../_images/entropy_1Dslab.png + :scale: 10 + + Source convergence comparison for $1$-D slab toy problem + +To further show this convergence, source distributions were edited at various +batches and compared. Figures :ref:`fig_toy6` to :ref:`fig_toy200` compare the +OpenMC source distribution from the no CMFD case, the OpenMC source +distribution from the CMFD case and the CMFD source distribution for six +different batches. Figure :ref:`fig_toy6` compares the distributions at batch +6. Here, CMFD has not been activated yet, so it is just plotted at zero. As +expected, the OpenMC source distributions from the two cases are equal because +CMFD has not yet affected it. From this plot, one can also see that the source +distribution is very flat because the initial guess was uniform over space. +Because the dominance ratio is close to unity, the source will slowly converge +to a cosine-like shape. Results from batch 10 are presented in figure +:ref:`fig_toy10`. The same information is shown in this plot, but the source is +slightly more converged. It is plotted here to show how little the source +changes in four batches. Batch 11 is the first time a CMFD source is +calculated. Right away, it appears as a smooth cosine-like shape as shown in +figure :ref:`fig_toy11`. Thus, when CMFD is fed back, its source shape will +modify the OpenMC source bank to preserve this distribution on the CMFD mesh. +On the next batch, shown in :ref:`fig_toy12`, the OpenMC source and the CMFD +source from the CMFD case match, while the OpenMC source from the no CMFD case +lags behind. Two more batches are shown in figure :ref:`fig_toy40` and figure +:ref:`fig_toy200` to illustrate that all source distributions eventually line +up at batch 200. + +.. _fig_toy6: + +.. figure:: ../_images/statepoint6.png + :scale: 10 + + Source at FSG 6 + +| + +.. _fig_toy10: + +.. figure:: ../_images/statepoint10.png + :scale: 10 + + Source at FSG 10 + +| + +.. _fig_toy11: + +.. figure:: ../_images/statepoint11.png + :scale: 10 + + Source at FSG 11 + +| + +.. _fig_toy12: + +.. figure:: ../_images/statepoint12.png + :scale: 10 + + Source at FSG 12 + +| + +.. _fig_toy40: + +.. figure:: ../_images/statepoint40.png + :scale: 10 + + Source at FSG 40 + +| + +.. _fig_toy200: + +.. figure:: ../_images/statepoint200.png + :scale: 10 + + Source at FSG 200 + +| + +This simple illustration shows the power of NDA. Because of the nature of the +diffusion equation, it can propagate and dampen higher harmonics much faster +than the MC transport solution. It should be noted here that this is a very +simplified problem where the dominance ratio was increased by changing the size +of the slab. Also, the source distribution is very smooth and there was only +one homogeneous material. The problem becomes more difficult to solve when +expanding to more spatial dimensions and complex materials. + ---------- References ---------- From dee0c2f10f5a31275a87fd814632b7f110c19d6c Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Thu, 11 Sep 2014 22:52:11 -0400 Subject: [PATCH 147/187] converted nuc_list from elemlist to list --- src/ace.F90 | 9 ++------- src/ace_header.F90 | 6 ++++-- src/cross_section.F90 | 35 +++++++++++++++++------------------ 3 files changed, 23 insertions(+), 27 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index fb42180da0..6d4f3c740c 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -7,7 +7,7 @@ module ace use error, only: fatal_error, warning use fission, only: nu_total use global - use list_header, only: ListElemInt, ListInt + use list_header, only: ListInt use material_header, only: Material use output, only: write_message use set_header, only: SetChar @@ -1563,16 +1563,11 @@ contains integer :: i ! index in nuclides array integer :: j ! index in nuclides array - type(ListElemInt), pointer :: nuc_list => null() ! pointer to nuclide list do i = 1, n_nuclides_total - allocate(nuclides(i) % nuc_list) - nuc_list => nuclides(i) % nuc_list do j = 1, n_nuclides_total if (nuclides(i) % zaid == nuclides(j) % zaid) then - nuc_list % data = j - allocate(nuc_list % next) - nuc_list => nuc_list % next + call nuclides(i) % nuc_list % append(j) end if end do end do diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 6d339891c9..89f4901709 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -2,7 +2,7 @@ module ace_header use constants, only: MAX_FILE_LEN use endf_header, only: Tab1 - use list_header, only: ListElemInt + use list_header, only: ListInt implicit none @@ -97,7 +97,7 @@ module ace_header real(8) :: kT ! temperature in MeV (k*T) ! Linked list of indices in nuclides array of instances of this same nuclide - type(ListElemInt), pointer :: nuc_list => null() + type(ListInt) :: nuc_list ! Energy grid information integer :: n_grid ! # of nuclide grid points @@ -416,6 +416,8 @@ module ace_header deallocate(this % reactions) end if + call this % nuc_list % clear() + end subroutine nuclide_clear end module ace_header diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 0620cf11f8..fddc79dff0 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -342,21 +342,22 @@ contains integer, intent(in) :: i_nuclide ! index into nuclides array real(8), intent(in) :: E ! energy - integer :: i_energy ! index for energy - integer :: i_low ! band index at lower bounding energy - integer :: i_up ! band index at upper bounding energy - real(8) :: f ! interpolation factor - real(8) :: r ! pseudo-random number - real(8) :: elastic ! elastic cross section - real(8) :: capture ! (n,gamma) cross section - real(8) :: fission ! fission cross section - real(8) :: inelastic ! inelastic cross section - logical :: same_nuc ! do we know the xs for this nuclide at this energy? + integer :: i ! loop index + integer :: i_energy ! index for energy + integer :: i_low ! band index at lower bounding energy + integer :: i_up ! band index at upper bounding energy + integer :: same_nuc_idx ! index of same nuclide + real(8) :: f ! interpolation factor + real(8) :: r ! pseudo-random number + real(8) :: elastic ! elastic cross section + real(8) :: capture ! (n,gamma) cross section + real(8) :: fission ! fission cross section + real(8) :: inelastic ! inelastic cross section + logical :: same_nuc ! do we know the xs for this nuclide at this energy? type(UrrData), pointer, save :: urr => null() type(Nuclide), pointer, save :: nuc => null() type(Reaction), pointer, save :: rxn => null() - type(ListElemInt), pointer :: nuc_list => null() -!$omp threadprivate(urr, nuc, rxn, nuc_list) +!$omp threadprivate(urr, nuc, rxn) micro_xs(i_nuclide) % use_ptable = .true. @@ -381,18 +382,16 @@ contains ! this energy but a different temperature, use the original random number to ! preserve correlation of temperature in probability tables same_nuc = .false. - nuc_list => nuc % nuc_list - do - if (E /= ZERO .and. E == micro_xs(nuc_list % data) % last_E) then + do i = 1, nuc % nuc_list % size() + if (E /= ZERO .and. E == micro_xs(nuc % nuc_list % get_item(i)) % last_E) then same_nuc = .true. + same_nuc_idx = i exit end if - nuc_list => nuc_list % next - if (.not. associated(nuc_list % next)) exit end do if (same_nuc) then - r = micro_xs(nuc_list % data) % last_prn + r = micro_xs(nuc % nuc_list % get_item(same_nuc_idx)) % last_prn else r = prn() micro_xs(i_nuclide) % last_prn = r From b5839d99677184981566d8c445d1ba68037877e4 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Thu, 11 Sep 2014 23:32:46 -0400 Subject: [PATCH 148/187] inititalized name_0K string to default value --- src/ace_header.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/ace_header.F90 b/src/ace_header.F90 index 89f4901709..76492dfe80 100644 --- a/src/ace_header.F90 +++ b/src/ace_header.F90 @@ -114,7 +114,7 @@ module ace_header ! Resonance scattering info logical :: resonant = .false. ! resonant scatterer? - character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c + character(10) :: name_0K = '' ! name of 0K nuclide, e.g. 92235.00c character(16) :: scheme ! target velocity sampling scheme integer :: n_grid_0K ! number of 0K energy grid points real(8), allocatable :: energy_0K(:) ! energy grid for 0K xs From 1c797abc38af1a774b182fd78e855ea03240f0a3 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 12 Sep 2014 09:30:05 -0400 Subject: [PATCH 149/187] added rest of intents and moved convergence logical --- src/cmfd_solver.F90 | 74 ++++++++++++++++++++++++------------------- src/matrix_header.F90 | 18 +++++------ src/vector_header.F90 | 4 +-- 3 files changed, 52 insertions(+), 44 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 9a2ebceb1b..69a2829039 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -11,7 +11,6 @@ module cmfd_solver private public :: cmfd_solver_execute - logical :: iconv ! did the problem converged real(8) :: k_n ! new k-eigenvalue real(8) :: k_o ! old k-eigenvalue real(8) :: k_s ! shift of eigenvalue @@ -38,11 +37,11 @@ module cmfd_solver subroutine linsolve(A, b, x, tol, i) import :: Matrix import :: Vector - type(Matrix) :: A - type(Vector) :: b - type(Vector) :: x - real(8) :: tol - integer :: i + type(Matrix), intent(inout) :: A + type(Vector), intent(inout) :: b + type(Vector), intent(inout) :: x + real(8), intent(in) :: tol + integer, intent(out) :: i end subroutine linsolve end interface @@ -56,7 +55,7 @@ contains use global, only: cmfd_adjoint_type, time_cmfdbuild, time_cmfdsolve - logical, optional :: adjoint ! adjoint calc + logical, optional, intent(in) :: adjoint ! adjoint calc logical :: physical_adjoint = .false. @@ -106,7 +105,7 @@ contains cmfd_ktol, cmfd_stol use global, only: cmfd_write_matrices - logical :: adjoint + logical, intent(in) :: adjoint integer :: n ! problem size real(8) :: guess ! initial guess @@ -145,7 +144,7 @@ contains ! Fill in production matrix call build_prod_matrix(prod, adjoint=adjoint) - ! Setup petsc for everything + ! Finalize setup of CSR matrices call loss % assemble() call prod % assemble() if (cmfd_write_matrices) then @@ -209,11 +208,13 @@ contains subroutine execute_power_iter() use constants, only: ONE - use global, only: cmfd_atoli, cmfd_rtoli + use error, only: fatal_error + use global, only: cmfd_atoli, cmfd_rtoli, message integer :: i ! iteration counter integer :: innerits ! # of inner iterations integer :: totalits ! total number of inners + logical :: iconv ! did the problem converged real(8) :: atoli ! absolute minimum tolerance real(8) :: rtoli ! relative tolerance based on source conv real(8) :: toli ! the current tolerance of inners @@ -233,6 +234,12 @@ contains ! Begin power iteration do i = 1, 10000 + ! Check if reached iteration 10000 + if (i == 10000) then + message = 'Reached maximum iterations in CMFD power iteration solver.' + call fatal_error() + end if + ! Compute source vector call prod % vector_multiply(phi_o, s_o) @@ -255,7 +262,7 @@ contains s_o % val = s_o % val * k_lo ! Check convergence - call convergence(i, innerits) + call convergence(i, innerits, iconv) totalits = totalits + innerits ! Break loop if converged @@ -304,14 +311,15 @@ contains ! CONVERGENCE checks the convergence of the CMFD problem !=============================================================================== - subroutine convergence(iter, innerits) + subroutine convergence(iter, innerits, iconv) use constants, only: ONE, TINY_BIT use global, only: cmfd_power_monitor, master use, intrinsic :: ISO_FORTRAN_ENV - integer :: iter ! outer iteration number - integer :: innerits ! inner iteration nubmer + integer, intent(in) :: iter ! outer iteration number + integer, intent(in) :: innerits ! inner iteration nubmer + logical, intent(out) :: iconv ! convergence logical ! Reset convergence flag iconv = .false. @@ -349,11 +357,11 @@ contains use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral - type(Matrix) :: A ! coefficient matrix - type(Vector) :: b ! right hand side vector - type(Vector) :: x ! unknown vector - real(8) :: tol ! tolerance on final error - integer :: its ! number of inner iterations + type(Matrix), intent(inout) :: A ! coefficient matrix + type(Vector), intent(inout) :: b ! right hand side vector + type(Vector), intent(inout) :: x ! unknown vector + real(8), intent(in) :: tol ! tolerance on final error + integer, intent(out) :: its ! number of inner iterations integer :: g ! group index integer :: i ! loop counter for x @@ -449,11 +457,11 @@ contains use constants, only: ONE, ZERO use global, only: cmfd, cmfd_spectral - type(Matrix) :: A ! coefficient matrix - type(Vector) :: b ! right hand side vector - type(Vector) :: x ! unknown vector - real(8) :: tol ! tolerance on final error - integer :: its ! number of inner iterations + type(Matrix), intent(inout) :: A ! coefficient matrix + type(Vector), intent(inout) :: b ! right hand side vector + type(Vector), intent(inout) :: x ! unknown vector + real(8), intent(in) :: tol ! tolerance on final error + integer, intent(out) :: its ! number of inner iterations integer :: g ! group index integer :: i ! loop counter for x @@ -646,15 +654,15 @@ contains use global, only: cmfd, cmfd_coremap - integer :: i ! iteration counter for x - integer :: j ! iteration counter for y - integer :: k ! iteration counter for z - integer :: g ! iteration counter for groups - integer :: irow ! iteration counter over row (0 reference) - integer :: nx ! maximum number of x cells - integer :: ny ! maximum number of y cells - integer :: nz ! maximum number of z cells - integer :: ng ! maximum number of groups + integer, intent(out) :: i ! iteration counter for x + integer, intent(out) :: j ! iteration counter for y + integer, intent(out) :: k ! iteration counter for z + integer, intent(out) :: g ! iteration counter for groups + integer, intent(in) :: irow ! iteration counter over row (0 reference) + integer, intent(in) :: nx ! maximum number of x cells + integer, intent(in) :: ny ! maximum number of y cells + integer, intent(in) :: nz ! maximum number of z cells + integer, intent(in) :: ng ! maximum number of groups ! Check for core map if (cmfd_coremap) then diff --git a/src/matrix_header.F90 b/src/matrix_header.F90 index 3f5aa204f7..3e3d4ad0db 100644 --- a/src/matrix_header.F90 +++ b/src/matrix_header.F90 @@ -368,11 +368,11 @@ contains subroutine matrix_search_indices(self, row, col, idx, found) - class(Matrix) :: self - integer :: row - integer :: col - integer :: idx - logical :: found + class(Matrix), intent(inout) :: self + integer, intent(in) :: row + integer, intent(in) :: col + integer, intent(out) :: idx + logical, intent(out) :: found integer :: j @@ -396,8 +396,8 @@ contains subroutine matrix_write(self, filename) - character(*) :: filename - class(Matrix) :: self + character(*), intent(in) :: filename + class(Matrix), intent(inout) :: self integer :: unit_ integer :: i @@ -421,8 +421,8 @@ contains subroutine matrix_copy(self, mattocopy) - class(Matrix) :: self - type(Matrix) :: mattocopy + class(Matrix), intent(inout) :: self + type(Matrix), intent(in) :: mattocopy ! Set n and nnz self % n_count = mattocopy % n_count diff --git a/src/vector_header.F90 b/src/vector_header.F90 index 4d8cb2cf5c..755d374628 100644 --- a/src/vector_header.F90 +++ b/src/vector_header.F90 @@ -132,8 +132,8 @@ contains subroutine vector_copy(self, vectocopy) - class(Vector), target :: self - type(Vector) :: vectocopy + class(Vector), target, intent(inout) :: self + type(Vector), intent(in) :: vectocopy ! Preallocate vector if (.not.allocated(self % data)) allocate(self % data(vectocopy % n)) From 70785e62bddd2bee02744c085f7db1eb104d592f Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 12 Sep 2014 10:01:56 -0400 Subject: [PATCH 150/187] CMFD tests no longer removed if PETSc is not enabled --- src/CMakeLists.txt | 10 ---------- 1 file changed, 10 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index fc6c6630cc..acf7314bbc 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -147,9 +147,7 @@ endif() # PETSc for CMFD functionality #=============================================================================== -set (PETSC_ENABLED FALSE) if(petsc) - set(PETSC_ENABLED TRUE) find_package(PETSc REQUIRED HINTS $ENV{PETSC_DIR}/conf) find_library(libpetsc petsc $ENV{PETSC_DIR}/lib) @@ -275,14 +273,6 @@ include(CTest) # Get a list of all the tests to run file(GLOB_RECURSE TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_*.py) -# Check to see if PETSC is compiled for CMFD tests -if (NOT ${PETSC_ENABLED}) - file(GLOB_RECURSE CMFD_TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_cmfd*.py) - foreach(cmfd_test in ${CMFD_TESTS}) - list(REMOVE_ITEM TESTS ${cmfd_test}) - endforeach(cmfd_test) -endif(NOT ${PETSC_ENABLED}) - # Check for MEM_CHECK and COVERAGE variables if (DEFINED ENV{MEM_CHECK}) set(MEM_CHECK $ENV{MEM_CHECK}) From fe3b178cd41e4120ec45031c6bd90be5abae2aa0 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 12 Sep 2014 10:35:11 -0400 Subject: [PATCH 151/187] allow power iteration CMFD to run without PETSc --- src/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index fc6c6630cc..8a9424e79d 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -277,7 +277,7 @@ file(GLOB_RECURSE TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_*.py) # Check to see if PETSC is compiled for CMFD tests if (NOT ${PETSC_ENABLED}) - file(GLOB_RECURSE CMFD_TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_cmfd*.py) + file(GLOB_RECURSE CMFD_TESTS ${CMAKE_CURRENT_SOURCE_DIR}/../tests/test_cmfd_jfnk.py) foreach(cmfd_test in ${CMFD_TESTS}) list(REMOVE_ITEM TESTS ${cmfd_test}) endforeach(cmfd_test) From 9ef26276c82c54162b22927a9ac6ed73b7a8b813 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Fri, 12 Sep 2014 10:55:19 -0400 Subject: [PATCH 152/187] Added support for plotting ufs, entropy, and cmfd meshes --- src/input_xml.F90 | 99 ++++++++++++++++++++++++++++++++++++++--------- 1 file changed, 80 insertions(+), 19 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 6f1aa5fd01..6ff284152c 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -512,6 +512,7 @@ contains allocate(entropy_mesh) allocate(entropy_mesh % lower_left(3)) allocate(entropy_mesh % upper_right(3)) + allocate(entropy_mesh % width(3)) ! Copy values call get_node_array(node_entropy, "lower_left", & @@ -543,6 +544,11 @@ contains ! Copy dimensions call get_node_array(node_entropy, "dimension", entropy_mesh % dimension) + + ! Calculate width + entropy_mesh % width = (entropy_mesh % upper_right - & + entropy_mesh % lower_left) / entropy_mesh % dimension + end if ! Turn on Shannon entropy calculation @@ -2773,10 +2779,12 @@ contains integer :: i, j integer :: n_cols, col_id, n_comp, n_masks, n_meshlines integer :: meshid + integer :: i_mesh integer, allocatable :: iarray(:) logical :: file_exists ! does plots.xml file exist? character(MAX_LINE_LEN) :: filename ! absolute path to plots.xml character(MAX_LINE_LEN) :: temp_str + character(MAX_WORD_LEN) :: meshtype type(ObjectPlot), pointer :: pl => null() type(Node), pointer :: doc => null() type(Node), pointer :: node_plot => null() @@ -3060,11 +3068,11 @@ contains ! Get pointer to meshlines call get_list_item(node_meshline_list, 1, node_meshlines) - ! Ensure that there is a mesh id for this meshlines specification - if (check_for_node(node_meshlines, "mesh")) then - call get_node_value(node_meshlines, "mesh", meshid) + ! Check mesh type + if (check_for_node(node_meshlines, "meshtype")) then + call get_node_value(node_meshlines, "meshtype", meshtype) else - message = "Must specify a mesh id for meshlines " // & + message = "Must specify a meshtype for meshlines " // & "specification in plot " // trim(to_str(pl % id)) call fatal_error() end if @@ -3084,8 +3092,8 @@ contains ! Check and make sure 3 values are specified for RGB if (get_arraysize_double(node_meshlines, "color") /= 3) then - message = "Bad RGB for meshlines color " & - // "in plot " // trim(to_str(pl % id)) + message = "Bad RGB for meshlines color " // & + "in plot " // trim(to_str(pl % id)) call fatal_error() end if @@ -3097,22 +3105,75 @@ contains end if - ! Check if the specified tally mesh exists - if (mesh_dict % has_key(meshid)) then - pl % meshlines_mesh => meshes(mesh_dict % get_key(meshid)) - if (meshes(meshid) % type /= LATTICE_RECT) then - message = "Non-rectangular mesh specified in meshlines for" // & - " plot " // trim(to_str(pl % id)) + ! Set mesh based on type + select case (trim(meshtype)) + case ('ufs') + + if (.not. associated(ufs_mesh)) then + message = "No UFS mesh for meshlines on plot " // & + trim(to_str(pl % id)) call fatal_error() end if - else - message = "Could not find mesh " // & - trim(to_str(meshid)) // & - " specified in meshlines for plot " // & - trim(to_str(pl % id)) - call fatal_error() - end if + + pl % meshlines_mesh => ufs_mesh + + case ('cmfd') + + if (.not. cmfd_run) then + message = "Need CMFD run to plot CMFD mesh for meshlines " // & + "on plot " // trim(to_str(pl % id)) + call fatal_error() + end if + + i_mesh = cmfd_tallies(1) % & + filters(cmfd_tallies(1) % find_filter(FILTER_MESH)) % & + int_bins(1) + pl % meshlines_mesh => meshes(i_mesh) + + case ('entropy') + if (.not. associated(entropy_mesh)) then + message = "No entropy mesh for meshlines on plot " // & + trim(to_str(pl % id)) + call fatal_error() + end if + + pl % meshlines_mesh => entropy_mesh + + case ('tally') + + ! Ensure that there is a mesh id if the type is tally + if (check_for_node(node_meshlines, "id")) then + call get_node_value(node_meshlines, "id", meshid) + else + message = "Must specify a mesh id for meshlines tally mesh" // & + "specification in plot " // trim(to_str(pl % id)) + call fatal_error() + end if + + ! Check if the specified tally mesh exists + if (mesh_dict % has_key(meshid)) then + pl % meshlines_mesh => meshes(mesh_dict % get_key(meshid)) + if (meshes(meshid) % type /= LATTICE_RECT) then + message = "Non-rectangular mesh specified in meshlines " // & + "for plot " // trim(to_str(pl % id)) + call fatal_error() + end if + else + message = "Could not find mesh " // & + trim(to_str(meshid)) // & + " specified in meshlines for plot " // & + trim(to_str(pl % id)) + call fatal_error() + end if + + case default + message = "Invalid type for meshlines on plot " // & + trim(to_str(pl % id)) // ": " // trim(meshtype) + call fatal_error() + end select + + end select end if From 378aa92e668e5a0f064b09e96f22fb0c2fe3f28c Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Fri, 12 Sep 2014 10:58:15 -0400 Subject: [PATCH 153/187] Allowed read_tallies_xml to run in plotting mode, only to read mesh info --- src/input_xml.F90 | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 6ff284152c..42b684abf6 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -36,7 +36,7 @@ contains if (run_mode /= MODE_PLOTTING) call read_cross_sections_xml() call read_geometry_xml() call read_materials_xml() - if (run_mode /= MODE_PLOTTING) call read_tallies_xml() + call read_tallies_xml() if (cmfd_run) call configure_cmfd() end subroutine read_input_xml @@ -1909,7 +1909,7 @@ contains end if ! Allocate tally array - if (n_user_tallies > 0) then + if (n_user_tallies > 0 .and. run_mode /= MODE_PLOTTING) then call add_tallies("user", n_user_tallies) end if @@ -2058,6 +2058,9 @@ contains call mesh_dict % add_key(m % id, i) end do + ! We only need the mesh info for plotting + if (run_mode == MODE_PLOTTING) return + ! ========================================================================== ! READ TALLY DATA From d5ce05cf363b654c66fc6ef6944116c57fcfea57 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Fri, 12 Sep 2014 11:04:05 -0400 Subject: [PATCH 154/187] Updates documentation for meshline plotting --- docs/source/usersguide/input.rst | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 5cc595ed50..44f67e62c1 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1298,11 +1298,16 @@ attributes or sub-elements. These are not used in "voxel" plots: The special ``meshlines`` sub-element allows for plotting the boundaries of a tally mesh on top of a plot. Only one ``meshlines`` element is allowed per ``plot`` element, and it must contain as attributes or sub-elements a mesh - id and a linewidth, as well as an optional color: + type and a linewidth, as well as an optional color: - :mesh: + :meshtype: + The type of the mesh to be plotted. Valid options are "tally", "entropy", + "ufs", and "cmfd". If plotting "tally" meshes, the id of the mesh to plot + must be specified with the ``id`` sub-element. + + :id: A single integer id number for the mesh specified on ``tallies.xml`` that - should be plotted. + should be plotted. This element is only required for ``meshtype="tally"``. :linewidth: A single integer number of pixels of linewidth to specify for the mesh @@ -1318,9 +1323,6 @@ attributes or sub-elements. These are not used in "voxel" plots: *Default*: None - .. warning:: Meshline plotting is currently only implemented for plots with - an "xy" basis. - ------------------------------ CMFD Specification -- cmfd.xml ------------------------------ From c8e5f984ad29c1fddc67949101eddacd0d43b1bf Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Fri, 12 Sep 2014 13:28:26 -0400 Subject: [PATCH 155/187] re-added compiler directives around petsc error int --- src/vector_header.F90 | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/vector_header.F90 b/src/vector_header.F90 index 755d374628..05cc7e3cde 100644 --- a/src/vector_header.F90 +++ b/src/vector_header.F90 @@ -28,7 +28,9 @@ module vector_header # endif end type Vector +#ifdef PETSC integer :: petsc_err ! petsc error code +#endif contains From b5babb67f1ea50f367c5d1bb5712569589a798bd Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Tue, 16 Sep 2014 16:22:16 -0400 Subject: [PATCH 156/187] removed $ from docs --- docs/source/methods/cmfd.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index 39573c2fa6..78472df37d 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -77,7 +77,7 @@ In eq. :eq:`eq_neut_bal` the parameters are defined as: * :math:`\left\langle\overline{J}^{u,g}_{l\pm 1/2,m,n}\Delta_m^v\Delta_n^w\right\rangle` --- surface area-integrated net current over surface :math:`(l\pm 1/2,m,n)` with surface normal in direction - $u$ in energy group :math:`g`. By dividing this quantity by the transverse + :math:`u` in energy group :math:`g`. By dividing this quantity by the transverse area, :math:`\Delta_m^v\Delta_n^w`, the surface area-averaged net current can be computed. * :math:`\left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g @@ -189,7 +189,7 @@ where \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle. Note that the transport reaction rate is calculated from the total reaction rate -reduced by the $P_1$ scattering production reaction rate. Equation :eq:`eq_transD` +reduced by the :math:`P_1` scattering production reaction rate. Equation :eq:`eq_transD` does not represent the best definition of diffusion coefficients from MC; however, it is very simple and usually fits into MC tally frameworks easily. Different methods to calculate more accurate diffusion coefficients can @@ -527,7 +527,7 @@ weight in the source bank was modified according to its location and energy. Toy Problem Example ------------------- -Before applying CMFD to a large reactor, a simple $1$-D slab toy problem was +Before applying CMFD to a large reactor, a simple 1-D slab toy problem was analyzed to understand how CMFD works. Table :ref:`tab_1Dtoyinput` presents data used to construct this problem. For MFD, the mesh was 2 cm over the geometry with one energy group. A comparison of fission source convergence @@ -566,7 +566,7 @@ Convergence of the fission source is almost immediately reached. .. figure:: ../_images/entropy_1Dslab.png :scale: 10 - Source convergence comparison for $1$-D slab toy problem + Source convergence comparison for 1-D slab toy problem To further show this convergence, source distributions were edited at various batches and compared. Figures :ref:`fig_toy6` to :ref:`fig_toy200` compare the From e2c9d7550793ae01cb732987e2fd40dac5ddd4f8 Mon Sep 17 00:00:00 2001 From: Nicholas Horelik Date: Tue, 16 Sep 2014 22:42:41 -0400 Subject: [PATCH 157/187] Clarified documentation --- docs/source/usersguide/input.rst | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 44f67e62c1..c97ab8ac1e 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1295,10 +1295,10 @@ attributes or sub-elements. These are not used in "voxel" plots: *Default*: None :meshlines: - The special ``meshlines`` sub-element allows for plotting the boundaries of + The ``meshlines`` sub-element allows for plotting the boundaries of a tally mesh on top of a plot. Only one ``meshlines`` element is allowed per ``plot`` element, and it must contain as attributes or sub-elements a mesh - type and a linewidth, as well as an optional color: + type and a linewidth. Optionally, a color may be specified for the overlay: :meshtype: The type of the mesh to be plotted. Valid options are "tally", "entropy", @@ -1317,7 +1317,7 @@ attributes or sub-elements. These are not used in "voxel" plots: :color: Specifies the custom color for the meshlines boundaries. Should be 3 - integers separated by spaces. This element is optional. + integers separated by whitespace. This element is optional. *Default*: 0 0 0 (black) From 224dcb48c878df10934ddf47c033f1688e2891f1 Mon Sep 17 00:00:00 2001 From: Nicholas Horelik Date: Tue, 16 Sep 2014 22:55:28 -0400 Subject: [PATCH 158/187] Tidied up select case --- src/input_xml.F90 | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 42b684abf6..f852d2243d 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -3061,11 +3061,8 @@ contains end if select case(n_meshlines) - case default - message = "Mutliple meshlines" // & - " specified in plot " // trim(to_str(pl % id)) - call fatal_error() case (0) + ! Skip if no meshlines are specified case (1) ! Get pointer to meshlines @@ -3176,7 +3173,10 @@ contains call fatal_error() end select - + case default + message = "Mutliple meshlines" // & + " specified in plot " // trim(to_str(pl % id)) + call fatal_error() end select end if From 1c939cb2403d429b2af0f8467ff6b6347ee50b07 Mon Sep 17 00:00:00 2001 From: Nicholas Horelik Date: Tue, 16 Sep 2014 22:57:22 -0400 Subject: [PATCH 159/187] Added intent --- src/plot.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plot.F90 b/src/plot.F90 index f6a41c9513..91b2520eb4 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -186,8 +186,8 @@ contains !=============================================================================== subroutine draw_mesh_lines(pl, img) - type(ObjectPlot), pointer :: pl - type(Image) :: img + type(ObjectPlot), pointer, intent(in) :: pl + type(Image), intent(inout) :: img logical :: in_mesh integer :: out_, in_ ! pixel location From bb1785c0629dd65c5fca7c439f3430d7f447a42e Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 16:51:12 -0400 Subject: [PATCH 160/187] removed subroutine to enforce neutron balance --- src/cmfd_data.F90 | 148 +-------------------------------------------- src/cmfd_input.F90 | 8 --- src/global.F90 | 3 - 3 files changed, 1 insertion(+), 158 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index ef637b4c0b..116c9bacb1 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -20,8 +20,7 @@ contains use cmfd_header, only: allocate_cmfd use constants, only: CMFD_NOACCEL - use global, only: cmfd, cmfd_coremap, cmfd_downscatter, & - cmfd_fix_balance + use global, only: cmfd, cmfd_coremap, cmfd_downscatter ! Check for core map and set it up if ((cmfd_coremap) .and. (cmfd%mat_dim == CMFD_NOACCEL)) call set_coremap() @@ -32,9 +31,6 @@ contains ! Compute effective downscatter cross section if (cmfd_downscatter) call compute_effective_downscatter() - ! Compute perfect balance - if (cmfd_fix_balance) call fix_neutron_balance() - ! Check neutron balance call neutron_balance() @@ -912,148 +908,6 @@ contains end function get_reflector_albedo -!=============================================================================== -! FIX_NEUTRON_BALANCE is a method to adjust parameters to have perfect balance -!=============================================================================== - - subroutine fix_neutron_balance() - - use constants, only: ONE, ZERO, CMFD_NOACCEL - use global, only: cmfd, message - use output, only: write_message - - integer :: nx ! number of mesh cells in x direction - integer :: ny ! number of mesh cells in y direction - integer :: nz ! number of mesh cells in z direction - integer :: ng ! number of energy groups - integer :: i ! iteration counter for x - integer :: j ! iteration counter for y - integer :: k ! iteration counter for z - integer :: l ! iteration counter for surface - real(8) :: leak1 ! leakage rate in group 1 - real(8) :: leak2 ! leakage rate in group 2 - real(8) :: flux1 ! group 1 volume int flux - real(8) :: flux2 ! group 2 volume int flux - real(8) :: sigt1 ! group 1 total xs - real(8) :: sigt2 ! group 2 total xs - real(8) :: sigs11 ! scattering transfer 1 --> 1 - real(8) :: sigs21 ! scattering transfer 2 --> 1 - real(8) :: sigs12 ! scattering transfer 1 --> 2 - real(8) :: sigs22 ! scattering transfer 2 --> 2 - real(8) :: nsigf11 ! fission transfer 1 --> 1 - real(8) :: nsigf21 ! fission transfer 2 --> 1 - real(8) :: nsigf12 ! fission transfer 1 --> 2 - real(8) :: nsigf22 ! fission transfer 2 --> 2 - real(8) :: siga1 ! group 1 abs xs - real(8) :: siga2 ! group 2 abs xs - real(8) :: sigs12_eff ! effective downscatter xs - real(8) :: a ! matrix (1,1) element for balance - real(8) :: b ! matrix (1,2) element for balance - real(8) :: c ! matrix (2,1) element for balance - real(8) :: d ! matrix (2,2) element for balance - real(8) :: r1 ! right hand side element 1 - real(8) :: r2 ! right hand side element 2 - real(8) :: det ! determinant of balance matrix - real(8) :: keff_bal ! keffective for balance eq. - - message = 'Correcting neutron balance' - call write_message(1) - - ! Extract spatial and energy indices from object - nx = cmfd % indices(1) - ny = cmfd % indices(2) - nz = cmfd % indices(3) - ng = cmfd % indices(4) - - keff_bal = cmfd % keff_bal - - ! Return if not two groups - if (ng /= 2) return - - ! Begin loop around space and energy groups - ZLOOP: do k = 1, nz - - YLOOP: do j = 1, ny - - XLOOP: do i = 1, nx - - ! Check for active mesh - if (allocated(cmfd%coremap)) then - if (cmfd%coremap(i,j,k) == CMFD_NOACCEL) cycle - end if - - ! Compute leakage in groups 1 and 2 - leak1 = ZERO - leak2 = ZERO - LEAK: do l = 1, 3 - - leak1 = leak1 + ((cmfd % current(4*l,1,i,j,k) - & - cmfd % current(4*l-1,1,i,j,k))) - & - ((cmfd % current(4*l-2,1,i,j,k) - & - cmfd % current(4*l-3,1,i,j,k))) - - leak2 = leak2 + ((cmfd % current(4*l,2,i,j,k) - & - cmfd % current(4*l-1,2,i,j,k))) - & - ((cmfd % current(4*l-2,2,i,j,k) - & - cmfd % current(4*l-3,2,i,j,k))) - - - end do LEAK - - ! Extract cross sections and flux from object - flux1 = cmfd % flux(1,i,j,k) - flux2 = cmfd % flux(2,i,j,k) - sigt1 = cmfd % totalxs(1,i,j,k) - sigt2 = cmfd % totalxs(2,i,j,k) - sigs11 = cmfd % scattxs(1,1,i,j,k) - sigs21 = cmfd % scattxs(2,1,i,j,k) - sigs12 = cmfd % scattxs(1,2,i,j,k) - sigs22 = cmfd % scattxs(2,2,i,j,k) - nsigf11 = cmfd % nfissxs(1,1,i,j,k) - nsigf21 = cmfd % nfissxs(2,1,i,j,k) - nsigf12 = cmfd % nfissxs(1,2,i,j,k) - nsigf22 = cmfd % nfissxs(2,2,i,j,k) - - ! Compute absorption xs - siga1 = sigt1 - sigs11 - sigs12 - siga2 = sigt2 - sigs22 - sigs21 - - ! Create matrix and solve for effective downscatter and thermal flux - a = flux1 - b = -ONE/keff_bal*nsigf21 - c = flux1 - d = -siga2 + ONE/keff_bal*nsigf22 - det = a*d - b*c - r1 = ONE/keff_bal*nsigf11*flux1 - siga1*flux1 - leak1 - r2 = leak2 - ONE/keff_bal*nsigf12*flux1 - sigs12_eff = ONE/det*(d*r1 - b*r2) - flux2 = ONE/det*(a*r2 - c*r1) - - ! Recompute total cross sections (use effective and no upscattering) - sigt1 = siga1 + sigs11 + sigs12_eff - sigt2 = siga2 + sigs22 - - ! Record total xs - cmfd % totalxs(1,i,j,k) = sigt1 - cmfd % totalxs(2,i,j,k) = sigt2 - - ! Record effective downscatter xs - cmfd % scattxs(1,2,i,j,k) = sigs12_eff - - ! Zero out upscatter cross section - cmfd % scattxs(2,1,i,j,k) = ZERO - - ! Record thermal flux - cmfd % flux(2,i,j,k) = flux2 - - end do XLOOP - - end do YLOOP - - end do ZLOOP - - end subroutine fix_neutron_balance - !=============================================================================== ! COMPUTE_EFFECTIVE_DOWNSCATTER changes downscatter rate for zero upscatter !=============================================================================== diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 32625034c3..2e531a8157 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -174,14 +174,6 @@ contains dhat_reset = .true. end if - ! Enforce perfect neutron balance - if (check_for_node(doc, "balance")) then - call get_node_value(doc, "balance", temp_str) - call lower_case(temp_str) - if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & - cmfd_fix_balance = .true. - end if - ! Set the solver type if (check_for_node(doc, "solver")) & call get_node_value(doc, "solver", cmfd_solver_type) diff --git a/src/global.F90 b/src/global.F90 index e2509ce1a7..cad98dc329 100644 --- a/src/global.F90 +++ b/src/global.F90 @@ -325,9 +325,6 @@ module global ! Flag to reset dhats to zero logical :: dhat_reset = .false. - ! Flag to enforce neutron balance - logical :: cmfd_fix_balance = .false. - ! Flag to activate neutronic feedback via source weights logical :: cmfd_feedback = .false. From f1f7e76d60fa36137d01e560cfb0103ed3f31e10 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 16:55:50 -0400 Subject: [PATCH 161/187] removed CMFD debugging code --- src/CMakeLists.txt | 10 ----- src/cmfd_data.F90 | 101 ------------------------------------------- src/cmfd_execute.F90 | 9 ---- 3 files changed, 120 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 3f336767cd..8a9424e79d 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -26,7 +26,6 @@ option(debug "Compile with debug flags" OFF) option(optimize "Turn on all compiler optimization flags" OFF) option(verbose "Create verbose Makefiles" OFF) option(coverage "Compile with flags" OFF) -option(cmfd_debug "Compile with cmfd debug flags" OFF) if (verbose) set(CMAKE_VERBOSE_MAKEFILE on) @@ -215,15 +214,6 @@ if(GIT_SHA1_SUCCESS EQUAL 0) add_definitions(-DGIT_SHA1="${GIT_SHA1}") endif() -#=============================================================================== -# CMFD debug flags -#=============================================================================== - -if (cmfd_debug) - message("-- CMFD Debug flags on") - add_definitions(-DCMFD_DEBUG) -endif() - #=============================================================================== # FoX Fortran XML Library #=============================================================================== diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index 116c9bacb1..3ed77d78be 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -60,10 +60,6 @@ contains use string, only: to_str use tally_header, only: TallyObject -#ifdef CMFD_DEBUG - use global, only: current_batch -#endif - integer :: nx ! number of mesh cells in x direction integer :: ny ! number of mesh cells in y direction integer :: nz ! number of mesh cells in z direction @@ -84,11 +80,6 @@ contains real(8) :: flux ! temp variable for flux type(TallyObject), pointer :: t => null() ! pointer for tally object type(StructuredMesh), pointer :: m => null() ! pointer for mesh object -#ifdef CMFD_DEBUG - integer :: l ! iteration counter for leakage debug - real(8) :: leak1 ! group 1 leakage - real(8) :: leak2 ! group 2 leakage -#endif ! Extract spatial and energy indices from object nx = cmfd % indices(1) @@ -311,85 +302,6 @@ contains if (associated(t)) nullify(t) if (associated(m)) nullify(m) -#ifdef CMFD_DEBUG - open(file='openmc_src_' // trim(to_str(current_batch)) // '.dat', unit=102) - open(file='totalxs1_' // trim(to_str(current_batch)) // '.dat', unit=103) - open(file='totalxs2_' // trim(to_str(current_batch)) // '.dat', unit=104) - open(file='p1scattxs1_' // trim(to_str(current_batch)) // '.dat', unit=105) - open(file='p1scattxs2_' // trim(to_str(current_batch)) // '.dat', unit=106) - open(file='scattxs11_' // trim(to_str(current_batch)) // '.dat', unit=107) - open(file='scattxs12_' // trim(to_str(current_batch)) // '.dat', unit=108) - open(file='scattxs21_' // trim(to_str(current_batch)) // '.dat', unit=109) - open(file='scattxs22_' // trim(to_str(current_batch)) // '.dat', unit=110) - open(file='nufissxs11_' // trim(to_str(current_batch)) // '.dat', unit=111) - open(file='nufissxs12_' // trim(to_str(current_batch)) // '.dat', unit=112) - open(file='nufissxs21_' // trim(to_str(current_batch)) // '.dat', unit=113) - open(file='nufissxs22_' // trim(to_str(current_batch)) // '.dat', unit=114) - open(file='diff_coef1_' // trim(to_str(current_batch)) // '.dat', unit=115) - open(file='diff_coef2_' // trim(to_str(current_batch)) // '.dat', unit=116) - open(file='flux1_' // trim(to_str(current_batch)) // '.dat', unit=117) - open(file='flux2_' // trim(to_str(current_batch)) // '.dat', unit=118) - open(file='leak1_' // trim(to_str(current_batch)) // '.dat', unit=119) - open(file='leak2_' // trim(to_str(current_batch)) // '.dat', unit=120) - - do i = 1, nx - do j = 1,ny - leak1 = ZERO - leak2 = ZERO - do l = 1, 3 - leak1 = leak1 + ((cmfd % current(4*l,1,i,j,1) - & - cmfd % current(4*l-1,1,i,j,1))) - & - ((cmfd % current(4*l-2,1,i,j,1) - & - cmfd % current(4*l-3,1,i,j,1))) - end do - do l = 1, 3 - leak2 = leak2 + ((cmfd % current(4*l,2,i,j,1) - & - cmfd % current(4*l-1,2,i,j,1))) - & - ((cmfd % current(4*l-2,2,i,j,1) - & - cmfd % current(4*l-3,2,i,j,1))) - end do - write(102,*) cmfd % openmc_src(1,i,j,1) - write(103,*) cmfd % totalxs(1,i,j,1) - write(104,*) cmfd % totalxs(2,i,j,1) - write(105,*) cmfd % p1scattxs(1,i,j,1) - write(106,*) cmfd % p1scattxs(2,i,j,1) - write(107,*) cmfd % scattxs(1,1,i,j,1) - write(108,*) cmfd % scattxs(1,2,i,j,1) - write(109,*) cmfd % scattxs(2,1,i,j,1) - write(110,*) cmfd % scattxs(2,2,i,j,1) - write(111,*) cmfd % nfissxs(1,1,i,j,1) - write(112,*) cmfd % nfissxs(1,2,i,j,1) - write(113,*) cmfd % nfissxs(2,1,i,j,1) - write(114,*) cmfd % nfissxs(2,2,i,j,1) - write(115,*) cmfd % diffcof(1,i,j,1) - write(116,*) cmfd % diffcof(2,i,j,1) - write(117,*) cmfd % flux(1,i,j,1) - write(118,*) cmfd % flux(2,i,j,1) - write(119,*) leak1 - write(120,*) leak2 - end do - end do - close(102) - close(103) - close(104) - close(105) - close(106) - close(107) - close(108) - close(109) - close(110) - close(111) - close(112) - close(113) - close(114) - close(115) - close(116) - close(117) - close(118) - close(119) - close(120) -#endif - end subroutine compute_xs !=============================================================================== @@ -715,9 +627,6 @@ contains use global, only: cmfd, cmfd_coremap, message, dhat_reset use output, only: write_message use string, only: to_str -#ifdef CMFD_DEBUG - use global, only: current_batch -#endif integer :: nx ! maximum number of cells in x direction integer :: ny ! maximum number of cells in y direction @@ -751,9 +660,6 @@ contains nxyz(1,:) = (/1,nx/) nxyz(2,:) = (/1,ny/) nxyz(3,:) = (/1,nz/) -#ifdef CMFD_DEBUG - open(file='cmfd_dhat_' // trim(to_str(current_batch)) // '.dat', unit=125) -#endif ! Geting loop over group and spatial indices ZLOOP: do k = 1,nz @@ -844,9 +750,6 @@ contains cmfd%dhat(l,g,i,j,k) = ZERO end if -#ifdef CMFD_DEBUG - write(125,*) dhat -#endif end do LEAK end do GROUP @@ -863,10 +766,6 @@ contains call write_message(1) end if -#ifdef CMFD_DEBUG - close(unit=125) -#endif - end subroutine compute_dhat !=============================================================================== diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index 7aee715ebe..f76dfb42f9 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -238,15 +238,6 @@ contains cmfd % src_cmp(current_batch) = sqrt(ONE/cmfd % norm * & sum((cmfd % cmfd_src - cmfd % openmc_src)**2)) -#ifdef CMFD_DEBUG - open(file='cmfd_src_' // trim(to_str(current_batch)) // '.dat', unit=100) - do i = 1, nx - do j = 1,ny - write(100,*) cmfd % cmfd_src(1,i,j,1) - end do - end do - close(100) -#endif end if #ifdef MPI From 0953dc5edf6ae516583f5b212d53d6d773bf572c Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 16:56:40 -0400 Subject: [PATCH 162/187] removed balance from users guide --- docs/source/usersguide/input.rst | 12 ------------ 1 file changed, 12 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 1a8d1f2ac7..5a775be8e9 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1312,18 +1312,6 @@ and not when PETSc is active. *Default*: 1.e-10 -```` Element ---------------------- - -The ```` element controls whether exact neutron balance should be enforced -from CMFD tallies before creating CMFD matrices. This changes effective downscatter -cross section and thermal flux to create exact balance. It should be noted that -this option has led to instabilities when performing CMFD. It can be turned on -with "true" and off with "false". - - *Default*: false - - ```` Element ------------------- From 12f9f077573e6177eb0790d06f731c83c8bc995a Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 16:57:37 -0400 Subject: [PATCH 163/187] modified comment on default weightfactors value --- src/cmfd_execute.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cmfd_execute.F90 b/src/cmfd_execute.F90 index f76dfb42f9..d14a3af243 100644 --- a/src/cmfd_execute.F90 +++ b/src/cmfd_execute.F90 @@ -304,7 +304,7 @@ contains ! Compute new weight factors if (new_weights) then - ! Zero out weights + ! Set weight factors to a default 1.0 cmfd%weightfactors = ONE ! Count bank sites in mesh and reverse due to egrid structure From 495bab1209e0d16f19b1db8845301e84102d8156 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 17:09:05 -0400 Subject: [PATCH 164/187] fixed compilation error, added check for max GS iters --- src/cmfd_data.F90 | 4 +++- src/cmfd_input.F90 | 2 +- src/cmfd_solver.F90 | 43 +++++++++++++++++++++++++++++++------------ src/input_xml.F90 | 2 +- 4 files changed, 36 insertions(+), 15 deletions(-) diff --git a/src/cmfd_data.F90 b/src/cmfd_data.F90 index 3ed77d78be..abba2d47d7 100644 --- a/src/cmfd_data.F90 +++ b/src/cmfd_data.F90 @@ -211,7 +211,9 @@ contains ! Bank source cmfd % openmc_src(g,i,j,k) = cmfd % openmc_src(g,i,j,k) + & t % results(2,score_index) % sum - cmfd % keff_bal = cmfd % keff_bal + t % results(2,score_index) % sum / dble(t % n_realizations) + cmfd % keff_bal = cmfd % keff_bal + & + t % results(2,score_index) % sum / & + dble(t % n_realizations) end do INGROUP diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 98aaed9c7d..22bb7b1c8f 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -169,7 +169,7 @@ contains ! Reset dhat parameters if (check_for_node(doc, "dhat_reset")) then call get_node_value(doc, "dhat_reset", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & dhat_reset = .true. end if diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index 38e3436a24..df19861e57 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -356,7 +356,8 @@ contains subroutine cmfd_linsolver_1g(A, b, x, tol, its) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_spectral + use error, only: fatal_error + use global, only: cmfd, cmfd_spectral, message type(Matrix), intent(inout) :: A ! coefficient matrix type(Vector), intent(inout) :: b ! right hand side vector @@ -398,6 +399,12 @@ contains ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 + ! Check for max iterations met + if (igs == 10000) then + message = 'Maximum Gauss-Seidel iterations encountered.' + call fatal_error() + endif + ! Copy over x vector call tmpx % copy(x) @@ -456,7 +463,8 @@ contains subroutine cmfd_linsolver_2g(A, b, x, tol, its) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_spectral + use error, only: fatal_error + use global, only: cmfd, cmfd_spectral, message type(Matrix), intent(inout) :: A ! coefficient matrix type(Vector), intent(inout) :: b ! right hand side vector @@ -510,6 +518,12 @@ contains ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 + ! Check for max iterations met + if (igs == 10000) then + message = 'Maximum Gauss-Seidel iterations encountered.' + call fatal_error() + endif + ! Copy over x vector call tmpx % copy(x) @@ -595,13 +609,14 @@ contains subroutine cmfd_linsolver_ng(A, b, x, tol, its) use constants, only: ONE, ZERO - use global, only: cmfd, cmfd_spectral + use error, only: fatal_error + use global, only: cmfd, cmfd_spectral, message - type(Matrix) :: A ! coefficient matrix - type(Vector) :: b ! right hand side vector - type(Vector) :: x ! unknown vector - real(8) :: tol ! tolerance on final error - integer :: its ! number of inner iterations + type(Matrix), intent(inout) :: A ! coefficient matrix + type(Vector), intent(inout) :: b ! right hand side vector + type(Vector), intent(inout) :: x ! unknown vector + real(8), intent(in) :: tol ! tolerance on final error + integer, intent(out) :: its ! number of inner iterations integer :: g ! group index integer :: i ! loop counter for x @@ -636,6 +651,12 @@ contains ! Perform Gauss Seidel iterations GS: do igs = 1, 10000 + ! Check for max iterations met + if (igs == 10000) then + message = 'Maximum Gauss-Seidel iterations encountered.' + call fatal_error() + endif + ! Copy over x vector call tmpx % copy(x) @@ -652,19 +673,17 @@ contains tmp1 = ZERO do icol = A % get_row(irow), didx - 1 tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) -! print *,A % val(icol),x % val(A % get_col(icol)) end do do icol = didx + 1, A % get_row(irow + 1) - 1 tmp1 = tmp1 + A % val(icol)*x % val(A % get_col(icol)) -! print *,A % val(icol),x % val(A % get_col(icol)) end do ! Solve for new x x1 = (b % val(irow) - tmp1)/A % val(didx) -!print *, irow, b % val(irow), tmp1, A % val(didx), x1 + ! Perform overrelaxation x % val(irow) = (ONE - w)*x % val(irow) + w*x1 -!stop + end do ROWS ! Check convergence diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 5d0a159238..c7bf3ef17a 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -268,7 +268,7 @@ contains ! Check if we want to write out source if (check_for_node(node_source, "write_initial")) then call get_node_value(node_source, "write_initial", temp_str) - call lower_case(temp_str) + temp_str = to_lower(temp_str) if (trim(temp_str) == 'true' .or. trim(temp_str) == '1') & write_initial_source = .true. end if From 3b1d04eeaf0a53ca4a4dc926169d3be1594eb4bd Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 17:14:54 -0400 Subject: [PATCH 165/187] added input gauss_seidel_tolerance to replace atoli and rtoli --- src/cmfd_input.F90 | 17 +++++++++++++---- 1 file changed, 13 insertions(+), 4 deletions(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 22bb7b1c8f..235a23c60b 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -68,12 +68,14 @@ contains integer :: i integer :: ng + integer :: n_params integer, allocatable :: iarray(:) integer, allocatable :: int_array(:) logical :: file_exists ! does cmfd.xml exist? logical :: found character(MAX_LINE_LEN) :: filename character(MAX_LINE_LEN) :: temp_str + real(8) :: gs_tol(2) type(Node), pointer :: doc => null() type(Node), pointer :: node_mesh => null() @@ -256,10 +258,17 @@ contains call get_node_value(doc, "ktol", cmfd_ktol) if (check_for_node(doc, "stol")) & call get_node_value(doc, "stol", cmfd_stol) - if (check_for_node(doc, "atoli")) & - call get_node_value(doc, "atoli", cmfd_atoli) - if (check_for_node(doc, "rtoli")) & - call get_node_value(doc, "rtoli", cmfd_rtoli) + if (check_for_node(doc, "gauss_seidel_tolerance")) then + n_params = get_arraysize_integer(doc, "gauss_seidel_tolerance") + if (n_params /= 2) then + message = 'Gauss Seidel tolerance is not 2 parameters & + &(absolute, relative).' + call fatal_error() + end if + call get_node_array(doc, "gauss_seidel_tolerance", gs_tol) + cmfd_atoli = gs_tol(1) + cmfd_rtoli = gs_tol(2) + end if ! Create tally objects call create_cmfd_tally(doc) From 364199eb2847d67e15d8bc3544a9038b5b3ce177 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 17:25:06 -0400 Subject: [PATCH 166/187] added input description of write_initial_source and allowed binary extension for name --- docs/source/usersguide/input.rst | 42 ++++++++++++++++---------------- src/source.F90 | 4 +++ 2 files changed, 25 insertions(+), 21 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 5a775be8e9..4fc49b35f5 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -433,6 +433,13 @@ attributes/sub-elements: *Default*: 0.988 2.249 + :write_initial: + An element specifying whether to write out the intial source bank used + at the beginning of the first batch. The output file is named + "initial_source.binary(h5)" + + *Default*: false + ```` Element ------------------------- @@ -1303,15 +1310,6 @@ Currently, it allows users to accelerate fission source convergence during inactive neutron batches. To run CMFD, the ```` element in ``settings.xml`` should be set to "true". -```` Element --------------------- - -The ```` element specifies the absolute inner tolerance on the Gauss-Seidel -when performing CMFD calculations. It is only used in the standalone CMFD solver -and not when PETSc is active. - - *Default*: 1.e-10 - ```` Element ------------------- @@ -1338,9 +1336,9 @@ The ```` element sets one additional CMFD output column. Options are: ```` Element ------------------------ -The ```` element controls whether dhat nonlinear CMFD parameters -should be reset to zero before solving CMFD eigenproblem. It can be turned on with -"true" and off with "false". +The ```` element controls whether :math:`\widehat{D}` nonlinear +CMFD parameters should be reset to zero before solving CMFD eigenproblem. +It can be turned on with "true" and off with "false". *Default*: false @@ -1362,6 +1360,17 @@ It can be turned on with "true" and off with "false". *Default*: false +```` Element +-------------------- + +The ```` element specifies two parameters. The first is +the absolute inner tolerance for Gauss-Seidel iterations when performing CMFD +and the second is the relative inner tolerance for Gauss-Seidel iterations +for CMFD calculations. It is only used in the standalone CMFD power iteration +solver and not when PETSc is active. + + *Default*: 1.e-10 1.e-5 + ```` Element ------------------------- @@ -1455,15 +1464,6 @@ This option can be turned on with "true" and turned off with "false". *Default*: false -```` Element --------------------- - -The ```` element specifies the relative inner tolerance on the Gauss-Seidel -when performing CMFD calculations. It is only used in the standalone CMFD solver -and not when PETSc is active. - - *Default*: 1.e-5 - ```` Element ------------------------- diff --git a/src/source.F90 b/src/source.F90 index f6de6042b1..fd889abc42 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -81,7 +81,11 @@ contains if (write_initial_source) then message = 'Writing out initial source guess...' call write_message(1) +#ifdef HDF5 filename = 'initial_source.h5' +#else + filename = 'initial_source.binary' +#endif call sp % file_create(filename, serial = .false.) call sp % write_source_bank() call sp % file_close() From 5dab31aa49830907ba981ba85e8cc6ca901117b2 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 17:26:31 -0400 Subject: [PATCH 167/187] put path_output in front of initial source file --- src/source.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/source.F90 b/src/source.F90 index fd889abc42..9575020e6d 100644 --- a/src/source.F90 +++ b/src/source.F90 @@ -82,9 +82,9 @@ contains message = 'Writing out initial source guess...' call write_message(1) #ifdef HDF5 - filename = 'initial_source.h5' + filename = trim(path_output) // 'initial_source.h5' #else - filename = 'initial_source.binary' + filename = trim(path_output) // 'initial_source.binary' #endif call sp % file_create(filename, serial = .false.) call sp % write_source_bank() From a531aea8ef9b448b89fdd0b83827ca502f1e6e72 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 19:24:00 -0400 Subject: [PATCH 168/187] changed test input files to use new gs_tol input --- tests/test_cmfd_feed/cmfd.xml | 4 +--- tests/test_cmfd_nofeed/cmfd.xml | 3 +-- 2 files changed, 2 insertions(+), 5 deletions(-) diff --git a/tests/test_cmfd_feed/cmfd.xml b/tests/test_cmfd_feed/cmfd.xml index 390e558639..228b260a46 100644 --- a/tests/test_cmfd_feed/cmfd.xml +++ b/tests/test_cmfd_feed/cmfd.xml @@ -12,7 +12,5 @@ dominance power true - 1.e-15 - 1.e-20 - + 1.e-15 1.e-20 diff --git a/tests/test_cmfd_nofeed/cmfd.xml b/tests/test_cmfd_nofeed/cmfd.xml index 4a4bf30108..eb6c2c721a 100644 --- a/tests/test_cmfd_nofeed/cmfd.xml +++ b/tests/test_cmfd_nofeed/cmfd.xml @@ -12,7 +12,6 @@ dominance power false - 1.e-15 - 1.e-20 + 1.e-15 1.e-20 From 87d7a640b02939764eac2453bea001a2e04f2b73 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 19:45:40 -0400 Subject: [PATCH 169/187] gs tol should be read in as double --- src/cmfd_input.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cmfd_input.F90 b/src/cmfd_input.F90 index 235a23c60b..67e8f0d0f3 100644 --- a/src/cmfd_input.F90 +++ b/src/cmfd_input.F90 @@ -259,7 +259,7 @@ contains if (check_for_node(doc, "stol")) & call get_node_value(doc, "stol", cmfd_stol) if (check_for_node(doc, "gauss_seidel_tolerance")) then - n_params = get_arraysize_integer(doc, "gauss_seidel_tolerance") + n_params = get_arraysize_double(doc, "gauss_seidel_tolerance") if (n_params /= 2) then message = 'Gauss Seidel tolerance is not 2 parameters & &(absolute, relative).' From 855483e540ecf64308d8418abf3ac37715c394f3 Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Wed, 17 Sep 2014 19:56:18 -0400 Subject: [PATCH 170/187] updated RELAX NG schemata --- src/relaxng/cmfd.rnc | 25 +++++++++++++------------ src/relaxng/settings.rnc | 3 ++- 2 files changed, 15 insertions(+), 13 deletions(-) diff --git a/src/relaxng/cmfd.rnc b/src/relaxng/cmfd.rnc index cbcb7709ae..bbb7fc9e6b 100644 --- a/src/relaxng/cmfd.rnc +++ b/src/relaxng/cmfd.rnc @@ -22,15 +22,9 @@ element cmfd { element feedback { xsd:boolean }? & - element n_cmfd_procs { xsd:int }? & - - element reset { xsd:boolean }? & - - element balance { xsd:boolean }? & - element downscatter { xsd:boolean }? & - element run_2grp { xsd:boolean }? & + element dhat_reset { xsd:boolean }? & element solver { xsd:string }? & @@ -40,8 +34,6 @@ element cmfd { element power_monitor { xsd:boolean }? & - element write_balance { xsd:boolean }? & - element write_matrices { xsd:boolean }? & element run_adjoint { xsd:boolean }? & @@ -50,9 +42,18 @@ element cmfd { element begin { xsd:int }? & - element inactive { xsd:boolean }? & + element tally_reset { list { xsd:int+ } }? & - element active_flush { xsd:int }? & + element display { xsd:string }? & + + element spectral { xsd:double }? & + + element shift { xsd:double }? & + + element ktol { xsd: double }? & + + element stol { xsd: double }? & + + element gauss_seidel_tolerance { list { xsd:double+ } }? - element keff_tol { xsd:double }? } diff --git a/src/relaxng/settings.rnc b/src/relaxng/settings.rnc index dd4b91dc7d..707ecbbc80 100644 --- a/src/relaxng/settings.rnc +++ b/src/relaxng/settings.rnc @@ -85,7 +85,8 @@ element settings { attribute interplation { xsd:string { maxLength = "10" } })? & (element parameters { list { xsd:double+ } } | attribute parameters { list { xsd:double+ } })? - }? + }? & + (element write_initial { xsd:boolean } | attribute write_initial { xsd:boolean })? }? & element state_point { From 437188667f8d9df3be2a353a3a6bf262b142c8a0 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 17 Sep 2014 23:43:52 -0400 Subject: [PATCH 171/187] Fix typo in write_initial description. --- docs/source/usersguide/input.rst | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 4fc49b35f5..3d09e75f45 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -269,7 +269,7 @@ attributes or sub-elements: :scatterer: An element with attributes/sub-elements called ``nuclide``, ``method``, ``xs_label``, ``xs_label_0K``, ``E_min``, and ``E_max``. The ``nuclide`` - attribute is the name, as given by the ``name`` attribute within the + attribute is the name, as given by the ``name`` attribute within the ``nuclide`` sub-element of the ``material`` element in ``materials.xml``, of the nuclide to which a resonance scattering treatment is to be applied. The ``method`` attribute gives the type of resonance scattering treatment @@ -434,8 +434,8 @@ attributes/sub-elements: *Default*: 0.988 2.249 :write_initial: - An element specifying whether to write out the intial source bank used - at the beginning of the first batch. The output file is named + An element specifying whether to write out the initial source bank used at + the beginning of the first batch. The output file is named "initial_source.binary(h5)" *Default*: false @@ -1336,8 +1336,8 @@ The ```` element sets one additional CMFD output column. Options are: ```` Element ------------------------ -The ```` element controls whether :math:`\widehat{D}` nonlinear -CMFD parameters should be reset to zero before solving CMFD eigenproblem. +The ```` element controls whether :math:`\widehat{D}` nonlinear +CMFD parameters should be reset to zero before solving CMFD eigenproblem. It can be turned on with "true" and off with "false". *Default*: false @@ -1367,7 +1367,7 @@ The ```` element specifies two parameters. The first is the absolute inner tolerance for Gauss-Seidel iterations when performing CMFD and the second is the relative inner tolerance for Gauss-Seidel iterations for CMFD calculations. It is only used in the standalone CMFD power iteration -solver and not when PETSc is active. +solver and not when PETSc is active. *Default*: 1.e-10 1.e-5 From ee86d13619f2d24be9a12b0c2f62b92ab3fcc40f Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 17 Sep 2014 23:49:08 -0400 Subject: [PATCH 172/187] Changed an #ifndef to a #ifdef in cmfd_solver. --- src/cmfd_solver.F90 | 46 ++++++++++++++++++++++----------------------- 1 file changed, 23 insertions(+), 23 deletions(-) diff --git a/src/cmfd_solver.F90 b/src/cmfd_solver.F90 index df19861e57..b3e8fb8a88 100644 --- a/src/cmfd_solver.F90 +++ b/src/cmfd_solver.F90 @@ -9,7 +9,7 @@ module cmfd_solver implicit none private - public :: cmfd_solver_execute + public :: cmfd_solver_execute real(8) :: k_n ! new k-eigenvalue real(8) :: k_o ! old k-eigenvalue @@ -42,7 +42,7 @@ module cmfd_solver type(Vector), intent(inout) :: x real(8), intent(in) :: tol integer, intent(out) :: i - end subroutine linsolve + end subroutine linsolve end interface contains @@ -80,7 +80,7 @@ contains ! Stop timer for build call time_cmfdbuild % stop() - ! Begin power iteration + ! Begin power iteration call time_cmfdsolve % start() call execute_power_iter() call time_cmfdsolve % stop() @@ -88,7 +88,7 @@ contains ! Extract results call extract_results() - ! Deallocate data + ! Deallocate data call finalize() end subroutine cmfd_solver_execute @@ -138,7 +138,7 @@ contains k_lo = k_ln ! Fill in loss matrix - call build_loss_matrix(loss, adjoint=adjoint) + call build_loss_matrix(loss, adjoint=adjoint) ! Fill in production matrix call build_prod_matrix(prod, adjoint=adjoint) @@ -163,7 +163,7 @@ contains cmfd_linsolver => cmfd_linsolver_2g case default cmfd_linsolver => cmfd_linsolver_ng - end select + end select ! Set tolerances ktol = cmfd_ktol @@ -172,16 +172,16 @@ contains end subroutine init_data !=============================================================================== -! COMPUTE_ADJOINT computes a mathematical adjoint of CMFD problem +! COMPUTE_ADJOINT computes a mathematical adjoint of CMFD problem !=============================================================================== subroutine compute_adjoint() use error, only: fatal_error -#ifndef PETSC - use global, only: message -#else +#ifdef PETSC use global, only: cmfd_write_matrices +#else + use global, only: message #endif #ifdef PETSC @@ -224,7 +224,7 @@ contains iconv = .false. ! Set up tolerances - atoli = cmfd_atoli + atoli = cmfd_atoli rtoli = cmfd_rtoli toli = rtoli*100._8 @@ -280,7 +280,7 @@ contains end do - end subroutine execute_power_iter + end subroutine execute_power_iter !=============================================================================== ! WIELANDT SHIFT @@ -366,7 +366,7 @@ contains integer, intent(out) :: its ! number of inner iterations integer :: g ! group index - integer :: i ! loop counter for x + integer :: i ! loop counter for x integer :: j ! loop counter for y integer :: k ! loop counter for z integer :: n ! total size of vector @@ -406,7 +406,7 @@ contains endif ! Copy over x vector - call tmpx % copy(x) + call tmpx % copy(x) ! Perform red/black gs iterations REDBLACK: do irb = 0,1 @@ -473,7 +473,7 @@ contains integer, intent(out) :: its ! number of inner iterations integer :: g ! group index - integer :: i ! loop counter for x + integer :: i ! loop counter for x integer :: j ! loop counter for y integer :: k ! loop counter for z integer :: n ! total size of vector @@ -525,7 +525,7 @@ contains endif ! Copy over x vector - call tmpx % copy(x) + call tmpx % copy(x) ! Perform red/black gs iterations REDBLACK: do irb = 0,1 @@ -619,7 +619,7 @@ contains integer, intent(out) :: its ! number of inner iterations integer :: g ! group index - integer :: i ! loop counter for x + integer :: i ! loop counter for x integer :: j ! loop counter for y integer :: k ! loop counter for z integer :: n ! total size of vector @@ -658,7 +658,7 @@ contains endif ! Copy over x vector - call tmpx % copy(x) + call tmpx % copy(x) ! Begin loop around matrix rows ROWS: do irow = 1, n @@ -709,7 +709,7 @@ contains use global, only: cmfd, cmfd_write_matrices, current_batch - character(len=25) :: filename ! name of file to write data + character(len=25) :: filename ! name of file to write data integer :: n ! problem size ! Get problem size @@ -722,11 +722,11 @@ contains if (.not. allocated(cmfd%phi)) allocate(cmfd%phi(n)) end if - ! Save values + ! Save values if (adjoint_calc) then cmfd % adj_phi = phi_n % val else - cmfd % phi = phi_n % val + cmfd % phi = phi_n % val end if ! Save eigenvalue @@ -805,8 +805,8 @@ contains subroutine finalize() - ! Destroy all objects - call loss % destroy() + ! Destroy all objects + call loss % destroy() call prod % destroy() call phi_n % destroy() call phi_o % destroy() From 9cd04862bb89d3f88a11b4251aa5e3686d58335b Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Tue, 23 Sep 2014 21:01:54 -0400 Subject: [PATCH 173/187] Fix underlining in documentation. --- docs/source/usersguide/input.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 3d09e75f45..cbe06e5a0d 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -261,7 +261,7 @@ or sub-elements and can be set to either "false" or "true". *Default*: true ```` Element ----------------------- +---------------------------------- The ``resonance_scattering`` element can contain one or more of the following attributes or sub-elements: From 2a95ef7a425af3b498fd95afe3ef7917efea33fe Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 25 Sep 2014 21:29:07 -0400 Subject: [PATCH 174/187] If "current" score is specified, make sure a mesh filter is also specified. Closes #322 on github. --- src/input_xml.F90 | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index c7bf3ef17a..869f9fd63f 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -2647,6 +2647,12 @@ contains ! Get index of mesh filter k = t % find_filter(FILTER_MESH) + ! Check to make sure mesh filter was specified + if (k == 0) then + message = "Cannot tally surface current without a mesh filter." + call fatal_error() + end if + ! Get pointer to mesh i_mesh = t % filters(k) % int_bins(1) m => meshes(i_mesh) From 8974223badb2116d93589dc42c9559efe06b3b0a Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Fri, 26 Sep 2014 00:24:58 -0400 Subject: [PATCH 175/187] Start adding release notes for v0.6.1. --- docs/source/releasenotes/index.rst | 1 + docs/source/releasenotes/notes_0.6.1.rst | 63 ++++++++++++++++++++++++ 2 files changed, 64 insertions(+) create mode 100644 docs/source/releasenotes/notes_0.6.1.rst diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst index b40126b243..9799a5cfc7 100644 --- a/docs/source/releasenotes/index.rst +++ b/docs/source/releasenotes/index.rst @@ -10,6 +10,7 @@ bugs fixed, and known issues for each successive release. .. toctree:: :maxdepth: 1 + notes_0.6.1 notes_0.6.0 notes_0.5.4 notes_0.5.3 diff --git a/docs/source/releasenotes/notes_0.6.1.rst b/docs/source/releasenotes/notes_0.6.1.rst new file mode 100644 index 0000000000..b0651a8629 --- /dev/null +++ b/docs/source/releasenotes/notes_0.6.1.rst @@ -0,0 +1,63 @@ +.. _notes_0.6.1: + +============================== +Release Notes for OpenMC 0.6.1 +============================== + +------------------- +System Requirements +------------------- + +There are no special requirements for running the OpenMC code. As of this +release, OpenMC has been tested on a variety of Linux distributions, Mac OS X, +and Microsoft Windows 7. Memory requirements will vary depending on the size of +the problem at hand (mostly on the number of nuclides in the problem). + +------------ +New Features +------------ + +- Coarse mesh finite difference acceleration no longer requires PETSc +- Statepoint file numbering is now zero-padded +- Python scripts now compatible with Python 2 or 3 +- Ability to run particle restarts in fixed source calculations +- Capability to filter box source by fissionable materials +- Nuclide/element names are now case insensitive in input files +- Improved treatment of resonance scattering for heavy nuclides + +--------- +Bug Fixes +--------- + +- 03e890_: Check for energy-dependent multiplicities in ACE files +- 4439de_: Fix distance-to-surface calculation for general plane surface +- 5808ed_: Account for differences in URR band probabilities at different energies +- 2e60c0_: Allow zero atom/weight percents in materials +- 3e0870_: Don't use PWD environment variable when setting path to input files +- dc4776_: Handle probability table resampling correctly +- 01178b_: Fix metastables nuclides in NNDC cross_sections.xml file +- 62ec43_: Don't read tallies.xml when OpenMC is run in plotting mode +- 2a95ef_: Prevent segmentation fault on "current" score without mesh filter + +.. _03e890: https://github.com/mit-crpg/openmc/commit/03e890 +.. _4439de: https://github.com/mit-crpg/openmc/commit/4439de +.. _5808ed: https://github.com/mit-crpg/openmc/commit/5808ed +.. _2e60c0: https://github.com/mit-crpg/openmc/commit/2e60c0 +.. _3e0870: https://github.com/mit-crpg/openmc/commit/3e0870 +.. _dc4776: https://github.com/mit-crpg/openmc/commit/dc4776 +.. _01178b: https://github.com/mit-crpg/openmc/commit/01178b +.. _62ec43: https://github.com/mit-crpg/openmc/commit/62ec43 +.. _2a95ef: https://github.com/mit-crpg/openmc/commit/2a95ef + +------------ +Contributors +------------ + +This release contains new contributions from the following people: + +- `Sterling Harper `_ +- `Bryan Herman `_ +- `Adam Nelson `_ +- `Paul Romano `_ +- `Jon Walsh `_ +- `Will Boyd `_ From 66b9c9802d23557d62d6bdcd258cadcc526ee53b Mon Sep 17 00:00:00 2001 From: Bryan Herman Date: Sun, 28 Sep 2014 21:42:25 -0400 Subject: [PATCH 176/187] addressed @paulromano comments --- docs/source/methods/cmfd.rst | 194 ++++++------------------------- docs/source/usersguide/input.rst | 4 +- 2 files changed, 38 insertions(+), 160 deletions(-) diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst index 78472df37d..3681df3b75 100644 --- a/docs/source/methods/cmfd.rst +++ b/docs/source/methods/cmfd.rst @@ -37,7 +37,7 @@ the direction as a superscript. Energy group indices represented by :math:`g` and :math:`h` are also listed as superscripts here. The group :math:`g` is the group of interest and, if present, :math:`h` is all groups. Finally, any parameter surrounded by :math:`\left\langle\cdot\right\rangle` represents a -tally quantity that can be edited from an MC solution. +tally quantity that can be edited from a Monte Carlo (MC) solution. ------ Theory @@ -83,7 +83,7 @@ In eq. :eq:`eq_neut_bal` the parameters are defined as: * :math:`\left\langle\overline{\overline\Sigma}_{t_{l,m,n}}^g \overline{\overline\phi}_{l,m,n}^g\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` --- volume-integrated total reaction rate over energy group :math:`g`. - * :math:`\left\langle\overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow +* :math:`\left\langle\overline{\overline{\nu_s\Sigma}}_{s_{l,m,n}}^{h\rightarrow g} \overline{\overline\phi}_{l,m,n}^h\Delta_l^u\Delta_m^v\Delta_n^w\right\rangle` --- volume-integrated scattering production rate of neutrons that begin with @@ -98,7 +98,7 @@ In eq. :eq:`eq_neut_bal` the parameters are defined as: group :math:`h` that exit in group :math:`g`. Each quantity in :math:`\left\langle\cdot\right\rangle` represents a scalar value that -is obtained from an MC tally. A good verification step when using an MC is +is obtained from an MC tally. A good verification step when using an MC code is to make sure that tallies satisfy this balance equation within statistics. No NDA acceleration can be performed if the balance equation is not satisfied. @@ -110,7 +110,8 @@ illustrated as a flow chart below. After a batch of neutrons is simulated, NDA can take place. Each of the steps described above is described in detail in the following sections. -.. tikz:: Flow chart of NDA process +.. tikz:: Flow chart of NDA process. Note "XS" is used for cross section and + "DC" is used for diffusion coefficient. :libs: shapes, snakes, shadows, arrows, calc, decorations.markings, patterns, fit, matrix, spy :include: cmfd_tikz/cmfd_flow.tikz @@ -234,9 +235,9 @@ as [Hebert]_. These current/flux relationships are as follows: \beta_{l\pm1/2,m,n}^{u,g}\right)\Delta_l^u}\overline{\overline{\phi}}_{l,m,n}^{g}. In Eqs. :eq:`eq_cell_cell` and :eq:`eq_cell_bound`, the :math:`\pm` refers to -left (-:math:`x`) or right (+:math:`x`) surface in the :math:`x` direction, -back (-:math:`y`) or front (+:math:`y`) surface in the :math:`y` direction and -bottom (-:math:`z`) or top (+:math:`z`) surface in the :math:`z` direction. For +left (:math:`-x`) or right (:math:`+x`) surface in the :math:`x` direction, +back (:math:`-y`) or front (:math:`+y`) surface in the :math:`y` direction and +bottom (:math:`-z`) or top (:math:`+z`) surface in the :math:`z` direction. For cell-to-boundary coupling, a general albedo, :math:`\beta_{l\pm1/2,m,n}^{u,g}`, is used. The albedo is defined as the ratio of incoming (:math:`-` superscript) to outgoing (:math:`+` superscript) partial current on any surface represented @@ -395,7 +396,7 @@ information: It should be noted that for more difficult simulations (e.g., light water reactors), there are other options available to users such as tally resetting parameters, effective down-scatter usage, tally estimator, etc. For more -information please see [Herman_Thesis]_. +information please see :ref:`usersguide_cmfd`. Of the options described above, the optional acceleration subset region is an uncommon feature. Because OpenMC only has a structured Cartesian mesh, mesh @@ -425,26 +426,26 @@ in mesh cells far away from the core. :libs: shapes, snakes, shadows, arrows, calc, decorations.markings, patterns, fit, matrix, spy :include: cmfd_tikz/meshfig.tikz -During an MC simulation, CMFD tallies are accumulated. The basic tallies -needed are listed in Table :ref:`tab_tally`. Each tally is performed on a -spatial and energy mesh basis. The surface area-integrated net current is -tallied on every surface of the mesh. OpenMC tally objects are created by -the CMFD code internally, and cross sections are calculated at each -CMFD feedback iteration. The first CMFD iteration, controlled by the -user, occurs just after tallies are communicated to the master processor. Once -tallies are collapsed, cross sections, diffusion coefficients and equivalence -parameters are calculated. This is performed only on the acceleration region if -that option has been activated by the user. Once all diffusion parameters -are calculated, CMFD matrices are formed where energy groups are the inner -most iteration index. In OpenMC, compressed row storage sparse matrices are -used due to the sparsity of CMFD operators. An example of this sparsity is -shown for the 3-D BEAVRS model in figures :ref:`fig_loss` and :ref:`fig_prod`. These matrices -represent an assembly radial mesh, 24 cell mesh in the axial direction and two -energy groups. The loss matrix is 99.92% sparse and the production matrix is -99.99% sparse. Although the loss matrix looks like it is tridiagonal, it is -really a seven banded matrix with a block diagonal matrix for scattering. The -production matrix is a :math:`2\times 2` block diagonal; however, zeros are present -because no fission neutrons appear with energies in the thermal group. +During an MC simulation, CMFD tallies are accumulated. The basic tallies needed +are listed in Table :ref:`tab_tally`. Each tally is performed on a spatial and +energy mesh basis. The surface area-integrated net current is tallied on every +surface of the mesh. OpenMC tally objects are created by the CMFD code +internally, and cross sections are calculated at each CMFD feedback iteration. +The first CMFD iteration, controlled by the user, occurs just after tallies are +communicated to the master processor. Once tallies are collapsed, cross +sections, diffusion coefficients and equivalence parameters are calculated. This +is performed only on the acceleration region if that option has been activated +by the user. Once all diffusion parameters are calculated, CMFD matrices are +formed where energy groups are the inner most iteration index. In OpenMC, +compressed row storage sparse matrices are used due to the sparsity of CMFD +operators. An example of this sparsity is shown for the 3-D BEAVRS model in +figures :ref:`fig_loss` and :ref:`fig_prod` [BEAVRS]_. These matrices represent +an assembly radial mesh, 24 cell mesh in the axial direction and two energy +groups. The loss matrix is 99.92% sparse and the production matrix is 99.99% +sparse. Although the loss matrix looks like it is tridiagonal, it is really a +seven banded matrix with a block diagonal matrix for scattering. The production +matrix is a :math:`2\times 2` block diagonal; however, zeros are present because +no fission neutrons appear with energies in the thermal group. .. _tab_tally: @@ -518,145 +519,20 @@ source distribution to the current number of neutrons in each mesh. It is straightforward to compute the CMFD number of neutrons because it is the product between the total starting initial weight of neutrons and the CMFD normalized fission source distribution. To compute the number of neutrons from -the current MC source, a subroutine was implemented to sum the statistical +the current MC source, OpenMC sums the statistical weights of neutrons from the source bank on a given spatial and energy mesh. Once weight adjustment factors were calculated, each neutron's statistical weight in the source bank was modified according to its location and energy. - -------------------- -Toy Problem Example -------------------- - -Before applying CMFD to a large reactor, a simple 1-D slab toy problem was -analyzed to understand how CMFD works. Table :ref:`tab_1Dtoyinput` presents -data used to construct this problem. For MFD, the mesh was 2 cm over the -geometry with one energy group. A comparison of fission source convergence -using Shannon entropy is shown in figure :ref:`fig_1Dentropy`. The figure -illustrates that it takes about 150 FSGs (equivalent to batches) to converge -the source with standard MC without CMFD. For the case with CMFD, it is -activated at batch 11 and directly affects the fission source for batch 12. -Convergence of the fission source is almost immediately reached. - -.. _tab_1Dtoyinput: - -.. table:: Input data for 1-D slab toy problem - - +--------------------------------------------+-------------------+ - +--------------------------------------------+-------------------+ - | Slab Length | 200 cm | - +============================================+===================+ - | Homogeneous material of :math:`\rm UO_2` | 19 g/cc density | - +--------------------------------------------+-------------------+ - | U-235 weight percent | 0.21 | - +--------------------------------------------+-------------------+ - | U-238 weight percent | 0.68 | - +--------------------------------------------+-------------------+ - | O-16 weight percent | 0.11 | - +--------------------------------------------+-------------------+ - | Number of particles per | 4,000,000 | - +--------------------------------------------+-------------------+ - | Number of inactive | 400 | - +--------------------------------------------+-------------------+ - -| -| - -.. _fig_1Dentropy: - -.. figure:: ../_images/entropy_1Dslab.png - :scale: 10 - - Source convergence comparison for 1-D slab toy problem - -To further show this convergence, source distributions were edited at various -batches and compared. Figures :ref:`fig_toy6` to :ref:`fig_toy200` compare the -OpenMC source distribution from the no CMFD case, the OpenMC source -distribution from the CMFD case and the CMFD source distribution for six -different batches. Figure :ref:`fig_toy6` compares the distributions at batch -6. Here, CMFD has not been activated yet, so it is just plotted at zero. As -expected, the OpenMC source distributions from the two cases are equal because -CMFD has not yet affected it. From this plot, one can also see that the source -distribution is very flat because the initial guess was uniform over space. -Because the dominance ratio is close to unity, the source will slowly converge -to a cosine-like shape. Results from batch 10 are presented in figure -:ref:`fig_toy10`. The same information is shown in this plot, but the source is -slightly more converged. It is plotted here to show how little the source -changes in four batches. Batch 11 is the first time a CMFD source is -calculated. Right away, it appears as a smooth cosine-like shape as shown in -figure :ref:`fig_toy11`. Thus, when CMFD is fed back, its source shape will -modify the OpenMC source bank to preserve this distribution on the CMFD mesh. -On the next batch, shown in :ref:`fig_toy12`, the OpenMC source and the CMFD -source from the CMFD case match, while the OpenMC source from the no CMFD case -lags behind. Two more batches are shown in figure :ref:`fig_toy40` and figure -:ref:`fig_toy200` to illustrate that all source distributions eventually line -up at batch 200. - -.. _fig_toy6: - -.. figure:: ../_images/statepoint6.png - :scale: 10 - - Source at FSG 6 - -| - -.. _fig_toy10: - -.. figure:: ../_images/statepoint10.png - :scale: 10 - - Source at FSG 10 - -| - -.. _fig_toy11: - -.. figure:: ../_images/statepoint11.png - :scale: 10 - - Source at FSG 11 - -| - -.. _fig_toy12: - -.. figure:: ../_images/statepoint12.png - :scale: 10 - - Source at FSG 12 - -| - -.. _fig_toy40: - -.. figure:: ../_images/statepoint40.png - :scale: 10 - - Source at FSG 40 - -| - -.. _fig_toy200: - -.. figure:: ../_images/statepoint200.png - :scale: 10 - - Source at FSG 200 - -| - -This simple illustration shows the power of NDA. Because of the nature of the -diffusion equation, it can propagate and dampen higher harmonics much faster -than the MC transport solution. It should be noted here that this is a very -simplified problem where the dominance ratio was increased by changing the size -of the slab. Also, the source distribution is very smooth and there was only -one homogeneous material. The problem becomes more difficult to solve when -expanding to more spatial dimensions and complex materials. +Examples of CMFD simulations using OpenMC can be found in [Herman_Thesis]_. ---------- References ---------- +.. [BEAVRS] Nick Horelik, Bryan Herman. *Benchmark for Evaluation And Verification of Reactor + Simulations*. Massachusetts Institute of Technology, http://crpg.mit.edu/pub/beavrs + , 2013. + .. [Gill] Daniel F. Gill. *Newton-Krylov methods for the solution of the k-eigenvalue problem in multigroup neutronics calculations*. Ph.D. thesis, Pennsylvania State University, 2010. diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index cbe06e5a0d..cf403e8da3 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1301,6 +1301,8 @@ attributes or sub-elements. These are not used in "voxel" plots: *Default*: None +.. _usersguide_cmfd: + ------------------------------ CMFD Specification -- cmfd.xml ------------------------------ @@ -1361,7 +1363,7 @@ It can be turned on with "true" and off with "false". *Default*: false ```` Element --------------------- +------------------------------------ The ```` element specifies two parameters. The first is the absolute inner tolerance for Gauss-Seidel iterations when performing CMFD From 93e4823641e12b880a3b9bda7301c72254f165a3 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Wed, 1 Oct 2014 21:22:55 -0400 Subject: [PATCH 177/187] Check for negative values when calculating cross sections from URR probability tables. --- src/cross_section.F90 | 17 +++++++++++------ 1 file changed, 11 insertions(+), 6 deletions(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index fddc79dff0..657935206a 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -113,7 +113,7 @@ contains atom_density * micro_xs(i_nuclide) % elastic ! Add contributions to material macroscopic absorption cross section - material_xs % absorption = material_xs % absorption + & + material_xs % absorption = material_xs % absorption + & atom_density * micro_xs(i_nuclide) % absorption ! Add contributions to material macroscopic fission cross section @@ -123,7 +123,7 @@ contains ! Add contributions to material macroscopic nu-fission cross section material_xs % nu_fission = material_xs % nu_fission + & atom_density * micro_xs(i_nuclide) % nu_fission - + ! Add contributions to material macroscopic energy release from fission material_xs % kappa_fission = material_xs % kappa_fission + & atom_density * micro_xs(i_nuclide) % kappa_fission @@ -214,7 +214,7 @@ contains ! Calculate microscopic nuclide nu-fission cross section micro_xs(i_nuclide) % nu_fission = (ONE - f) * nuc % nu_fission( & i_grid) + f * nuc % nu_fission(i_grid+1) - + ! Calculate microscopic nuclide kappa-fission cross section ! The ENDF standard (ENDF-102) states that MT 18 stores ! the fission energy as the Q_value (fission(1)) @@ -276,7 +276,7 @@ contains f = ZERO else i_grid = binary_search(sab % inelastic_e_in, sab % n_inelastic_e_in, E) - f = (E - sab%inelastic_e_in(i_grid)) / & + f = (E - sab%inelastic_e_in(i_grid)) / & (sab%inelastic_e_in(i_grid+1) - sab%inelastic_e_in(i_grid)) end if @@ -475,6 +475,11 @@ contains fission = fission * micro_xs(i_nuclide) % fission end if + ! Check for negative calues + if (elastic < ZERO) elastic = ZERO + if (fission < ZERO) fission = ZERO + if (capture < ZERO) capture = ZERO + ! Set elastic, absorption, fission, and total cross sections. Note that the ! total cross section is calculated as sum of partials rather than using the ! table-provided value @@ -538,11 +543,11 @@ contains if (nuc % energy_0K(i_grid) == nuc % energy_0K(i_grid+1)) then i_grid = i_grid + 1 end if - + ! calculate interpolation factor f = (E - nuc % energy_0K(i_grid)) & & / (nuc % energy_0K(i_grid + 1) - nuc % energy_0K(i_grid)) - + ! Calculate microscopic nuclide elastic cross section xs_out = (ONE - f) * nuc % elastic_0K(i_grid) & & + f * nuc % elastic_0K(i_grid + 1) From 6f7149ab0ab5c32dc5c083051f123e9188ff156b Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 2 Oct 2014 08:33:19 -0400 Subject: [PATCH 178/187] Fix typo --- src/cross_section.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cross_section.F90 b/src/cross_section.F90 index 657935206a..8e4c19cccd 100644 --- a/src/cross_section.F90 +++ b/src/cross_section.F90 @@ -475,7 +475,7 @@ contains fission = fission * micro_xs(i_nuclide) % fission end if - ! Check for negative calues + ! Check for negative values if (elastic < ZERO) elastic = ZERO if (fission < ZERO) fission = ZERO if (capture < ZERO) capture = ZERO From 40577a0ee418784d923b94a91c51ca4354160fae Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 2 Oct 2014 21:02:31 -0400 Subject: [PATCH 179/187] Bumped version number to 0.6.1. --- docs/source/conf.py | 2 +- src/constants.F90 | 2 +- src/utils/setup.py | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/source/conf.py b/docs/source/conf.py index 16be3567d0..12558139e1 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -48,7 +48,7 @@ copyright = u'2011-2014, Massachusetts Institute of Technology' # The short X.Y version. version = "0.6" # The full version, including alpha/beta/rc tags. -release = "0.6.0" +release = "0.6.1" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/src/constants.F90 b/src/constants.F90 index ae9c77287a..91aafaa009 100644 --- a/src/constants.F90 +++ b/src/constants.F90 @@ -8,7 +8,7 @@ module constants ! OpenMC major, minor, and release numbers integer, parameter :: VERSION_MAJOR = 0 integer, parameter :: VERSION_MINOR = 6 - integer, parameter :: VERSION_RELEASE = 0 + integer, parameter :: VERSION_RELEASE = 1 ! Revision numbers for binary files integer, parameter :: REVISION_STATEPOINT = 12 diff --git a/src/utils/setup.py b/src/utils/setup.py index 1000e509b3..4c2f1ae246 100644 --- a/src/utils/setup.py +++ b/src/utils/setup.py @@ -3,7 +3,7 @@ from distutils.core import setup setup(name='statepoint', - version='0.6.0', + version='0.6.1', description='OpenMC StatePoint', author='Paul Romano', author_email='paul.k.romano@gmail.com', From 00af4442f24c9f744c033af44d9834677d2b7b99 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 2 Oct 2014 21:15:45 -0400 Subject: [PATCH 180/187] Update release notes with latest bug fix. --- docs/source/releasenotes/notes_0.6.1.rst | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/docs/source/releasenotes/notes_0.6.1.rst b/docs/source/releasenotes/notes_0.6.1.rst index b0651a8629..71852bd174 100644 --- a/docs/source/releasenotes/notes_0.6.1.rst +++ b/docs/source/releasenotes/notes_0.6.1.rst @@ -17,7 +17,7 @@ the problem at hand (mostly on the number of nuclides in the problem). New Features ------------ -- Coarse mesh finite difference acceleration no longer requires PETSc +- Coarse mesh finite difference (CMFD) acceleration no longer requires PETSc - Statepoint file numbering is now zero-padded - Python scripts now compatible with Python 2 or 3 - Ability to run particle restarts in fixed source calculations @@ -38,6 +38,7 @@ Bug Fixes - 01178b_: Fix metastables nuclides in NNDC cross_sections.xml file - 62ec43_: Don't read tallies.xml when OpenMC is run in plotting mode - 2a95ef_: Prevent segmentation fault on "current" score without mesh filter +- 93e482_: Check for negative values in probability tables .. _03e890: https://github.com/mit-crpg/openmc/commit/03e890 .. _4439de: https://github.com/mit-crpg/openmc/commit/4439de @@ -48,6 +49,7 @@ Bug Fixes .. _01178b: https://github.com/mit-crpg/openmc/commit/01178b .. _62ec43: https://github.com/mit-crpg/openmc/commit/62ec43 .. _2a95ef: https://github.com/mit-crpg/openmc/commit/2a95ef +.. _93e482: https://github.com/mit-crpg/openmc/commit/93e482 ------------ Contributors From 6944e8d2f64458b6139ce7fc3674f7af0bec94f8 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 2 Oct 2014 21:32:37 -0400 Subject: [PATCH 181/187] Add documentation of statepoint revision 12. --- docs/source/devguide/statepoint.rst | 51 ++++++++++++++++------------- 1 file changed, 29 insertions(+), 22 deletions(-) diff --git a/docs/source/devguide/statepoint.rst b/docs/source/devguide/statepoint.rst index 5f05c92c83..82b0a7f054 100644 --- a/docs/source/devguide/statepoint.rst +++ b/docs/source/devguide/statepoint.rst @@ -4,6 +4,13 @@ State Point Binary File Specifications ====================================== +----------- +Revision 12 +----------- + +Same as revision 11, except **tallies(i) % scatt_order(j)** is now **tallies(i) +% moment_order(j)**. + ----------- Revision 11 ----------- @@ -218,13 +225,13 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - + *do j = 1, tallies(i) % n_score_bins* **integer(4) tallies(i) % scatt_order(j)** Scattering Order specified scoring bins. - + **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by @@ -265,7 +272,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -295,7 +302,7 @@ if (run_mode == MODE_EIGENVALUE and source_present) Energy of the i-th source particle. ----------- -Revision 10 +Revision 10 ----------- **integer(4) FILETYPE_STATEPOINT** @@ -508,13 +515,13 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - + *do j = 1, tallies(i) % n_score_bins* **integer(4) tallies(i) % scatt_order(j)** Scattering Order specified scoring bins. - + **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by @@ -551,7 +558,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -760,13 +767,13 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - + *do j = 1, tallies(i) % n_score_bins* **integer(4) tallies(i) % scatt_order(j)** Scattering Order specified scoring bins. - + **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by @@ -803,7 +810,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -1008,13 +1015,13 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - + *do j = 1, tallies(i) % n_score_bins* **integer(4) tallies(i) % scatt_order(j)** Scattering Order specified scoring bins. - + **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by @@ -1051,7 +1058,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -1240,13 +1247,13 @@ if (run_mode == MODE_EIGENVALUE) **integer(4) tallies(i) % score_bins(j)** Values of specified scoring bins (e.g. SCORE_FLUX). - + *do j = 1, tallies(i) % n_score_bins* **integer(4) tallies(i) % scatt_order(j)** Scattering Order specified scoring bins. - + **integer(4) tallies(i) % n_score_bins** Number of scoring bins without accounting for those added by @@ -1283,7 +1290,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -1504,7 +1511,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -1713,7 +1720,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -1918,7 +1925,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -2119,7 +2126,7 @@ if (tallies_on > 0) *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -2240,7 +2247,7 @@ Revision 2 *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally @@ -2339,7 +2346,7 @@ Revision 1 *do j = 1, size(tallies(i) % scores, 1)* **real(8) tallies(i) % scores(j,k) % sum** - + Accumulated sum for the j-th score and k-th filter of the i-th tally From dc4c7c2c8fb3ed7f2c9269a6f5d999c42f4cdb11 Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Thu, 2 Oct 2014 22:01:56 -0400 Subject: [PATCH 182/187] Fixed total-yN manual entry - good catch Paul --- docs/source/usersguide/input.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index cf403e8da3..d83e127058 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -1092,10 +1092,10 @@ The ```` element accepts the following sub-elements: all of the harmonic moments of order 0 to N. N must be between 0 and 10. :total-YN: - Spherical harmonic expansion of the incoming particle's direction of - motion :math:`\left(\Omega\right)` of the total flux. This score will - tally all of the harmonic moments of order 0 to N. N must be between 0 - and 10. + The total reaction rate expanded via spherical harmonics about the + direction of motion of the neutron, :math:`\Omega`. + This score will tally all of the harmonic moments of order 0 to N. N must + be between 0 and 10. :current: Partial currents on the boundaries of each cell in a mesh. From 2c433d3061a7cd99fc33ba181ab95b634fb1ef4a Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Mon, 6 Oct 2014 10:33:22 -0400 Subject: [PATCH 183/187] Fixed entropy mesh width calculation --- src/eigenvalue.F90 | 8 ++++---- src/input_xml.F90 | 6 ++++++ 2 files changed, 10 insertions(+), 4 deletions(-) diff --git a/src/eigenvalue.F90 b/src/eigenvalue.F90 index 37edb922c4..cd95568849 100644 --- a/src/eigenvalue.F90 +++ b/src/eigenvalue.F90 @@ -536,12 +536,12 @@ contains m % n_dimension = 3 allocate(m % dimension(3)) m % dimension = n + + ! determine width + m % width = (m % upper_right - m % lower_left) / m % dimension + end if - ! allocate and determine width - allocate(m % width(3)) - m % width = (m % upper_right - m % lower_left) / m % dimension - ! allocate p allocate(entropy_p(1, m % dimension(1), m % dimension(2), & m % dimension(3))) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index a55fc363f4..522427807d 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -3135,6 +3135,12 @@ contains call fatal_error() end if + if (.not. allocated(entropy_mesh % dimension)) then + message = "No dimension specified on entropy mesh for " // + "meshlines on plot " // trim(to_str(pl % id)) + call fatal_error() + end if + pl % meshlines_mesh => entropy_mesh case ('tally') From 9d32299e4dec2cb9649b53de5eb5c64c223674f4 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Mon, 6 Oct 2014 21:01:17 -0400 Subject: [PATCH 184/187] Ensure installation of Python modules goes into CMAKE_INSTALL_PREFIX. Closes #329 on github. --- docs/source/usersguide/install.rst | 16 +++++++++------- src/CMakeLists.txt | 3 ++- 2 files changed, 11 insertions(+), 8 deletions(-) diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 358937e303..33e5936586 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -239,20 +239,22 @@ the root directory of the source code: .. code-block:: sh - cd src + mkdir src/build + cd src/build + cmake .. make - sudo make install + make install This will build an executable named ``openmc`` and install it (by default in /usr/local/bin). If you do not have administrative privileges, you can install -OpenMC locally by replacing the last command with: +OpenMC locally by specifying an install prefix when running cmake: .. code-block:: sh - make install -e prefix=$HOME/.local + cmake -DCMAKE_INSTALL_PREFIX=$HOME/.local .. -The ``prefix`` variable can be changed to any path for which you have -write-access. +The ``CMAKE_INSTALL_PREFIX`` variable can be changed to any path for which you +have write-access. Compiling on Windows -------------------- @@ -326,7 +328,7 @@ Testing Build ------------- If you have ENDF/B-VII.1 cross sections from NNDC_ you can test your build. -Make sure the **CROSS_SECTIONS** environmental variable is set to the +Make sure the **CROSS_SECTIONS** environmental variable is set to the *cross_sections.xml* file in the *data/nndc* directory. There are two ways to run tests. The first is to use the Makefile present in the source directory and run the following: diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 8a9424e79d..bf657c03de 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -261,7 +261,8 @@ install(FILES ../LICENSE DESTINATION "share/doc/${program}/copyright") find_package(PythonInterp) if(PYTHONINTERP_FOUND) install(CODE "execute_process( - COMMAND ${PYTHON_EXECUTABLE} setup.py install --user + COMMAND ${PYTHON_EXECUTABLE} setup.py install + --prefix=${CMAKE_INSTALL_PREFIX} WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/utils)") endif() From e67211b09cfe994ae51bb88135f07a5bd58f4c74 Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Tue, 7 Oct 2014 00:56:16 -0400 Subject: [PATCH 185/187] Added missing ampersand --- src/input_xml.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 522427807d..e84f072ea8 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -3136,7 +3136,7 @@ contains end if if (.not. allocated(entropy_mesh % dimension)) then - message = "No dimension specified on entropy mesh for " // + message = "No dimension specified on entropy mesh for " // & "meshlines on plot " // trim(to_str(pl % id)) call fatal_error() end if From 2a382d70908c153098595f128d21b13ea55baa6d Mon Sep 17 00:00:00 2001 From: Nick Horelik Date: Tue, 7 Oct 2014 00:59:39 -0400 Subject: [PATCH 186/187] Updated rnc file for meshlines plot xml changes --- src/relaxng/plots.rnc | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/src/relaxng/plots.rnc b/src/relaxng/plots.rnc index 3c29ba4e0b..a7c657864d 100644 --- a/src/relaxng/plots.rnc +++ b/src/relaxng/plots.rnc @@ -26,6 +26,14 @@ element plots { attribute components { list { xsd:int+ } }) & (element background { list { xsd:int+ } } | attribute background { list { xsd:int+ } }) + }* & + element meshlines { + (element meshtype { ( "tally" | "entropy" | "ufs" | "cmfd" ) } | + attribute meshtype { ( "tally" | "entropy" | "ufs" | "cmfd" ) }) & + (element id { xsd:int } | attribute id { xsd:int })? & + (element linewidth { xsd:int } | attribute linewidth { xsd:int }) & + (element color { list { xsd:int+ } } | + attribute color { list { xsd:int+ } })? }* }* } From 5184ca672e3dd517fad127c48bec1006cf419af3 Mon Sep 17 00:00:00 2001 From: Paul Romano Date: Thu, 9 Oct 2014 16:40:53 -0400 Subject: [PATCH 187/187] Change sys.path.append to sys.path.insert in results.py for each test. --- tests/test_basic/results.py | 2 +- tests/test_cmfd_feed/results.py | 2 +- tests/test_cmfd_jfnk/results.py | 2 +- tests/test_cmfd_nofeed/results.py | 2 +- tests/test_confidence_intervals/results.py | 2 +- tests/test_density_atombcm/results.py | 2 +- tests/test_density_atomcm3/results.py | 2 +- tests/test_density_kgm3/results.py | 2 +- tests/test_density_sum/results.py | 2 +- tests/test_eigenvalue_genperbatch/results.py | 2 +- tests/test_eigenvalue_no_inactive/results.py | 2 +- tests/test_energy_grid/results.py | 2 +- tests/test_entropy/results.py | 2 +- tests/test_filter_cell/results.py | 2 +- tests/test_filter_cellborn/results.py | 2 +- tests/test_filter_energy/results.py | 2 +- tests/test_filter_energyout/results.py | 2 +- tests/test_filter_group_transfer/results.py | 2 +- tests/test_filter_material/results.py | 2 +- tests/test_filter_mesh_2d/results.py | 2 +- tests/test_filter_mesh_3d/results.py | 2 +- tests/test_filter_universe/results.py | 2 +- tests/test_fixed_source/results.py | 2 +- tests/test_lattice/results.py | 2 +- tests/test_lattice_multiple/results.py | 2 +- tests/test_natural_element/results.py | 2 +- tests/test_output/results.py | 2 +- tests/test_particle_restart_eigval/results.py | 2 +- tests/test_particle_restart_fixed/results.py | 2 +- tests/test_ptables_off/results.py | 2 +- tests/test_reflective_cone/results.py | 2 +- tests/test_reflective_cylinder/results.py | 2 +- tests/test_reflective_plane/results.py | 2 +- tests/test_reflective_sphere/results.py | 2 +- tests/test_resonance_scattering/results.py | 2 +- tests/test_rotation/results.py | 2 +- tests/test_salphabeta/results.py | 2 +- tests/test_salphabeta_multiple/results.py | 2 +- tests/test_score_MT/results.py | 2 +- tests/test_score_absorption/results.py | 2 +- tests/test_score_current/results.py | 2 +- tests/test_score_events/results.py | 2 +- tests/test_score_fission/results.py | 2 +- tests/test_score_flux/results.py | 2 +- tests/test_score_flux_yn/results.py | 2 +- tests/test_score_kappafission/results.py | 2 +- tests/test_score_nufission/results.py | 2 +- tests/test_score_nuscatter/results.py | 2 +- tests/test_score_nuscatter_n/results.py | 2 +- tests/test_score_nuscatter_pn/results.py | 2 +- tests/test_score_nuscatter_yn/results.py | 2 +- tests/test_score_scatter/results.py | 2 +- tests/test_score_scatter_n/results.py | 2 +- tests/test_score_scatter_pn/results.py | 2 +- tests/test_score_scatter_yn/results.py | 2 +- tests/test_score_total/results.py | 2 +- tests/test_score_total_yn/results.py | 2 +- tests/test_seed/results.py | 2 +- tests/test_source_angle_mono/results.py | 2 +- tests/test_source_energy_maxwell/results.py | 2 +- tests/test_source_energy_mono/results.py | 2 +- tests/test_source_file/results.py | 2 +- tests/test_source_point/results.py | 2 +- tests/test_sourcepoint_batch/results.py | 2 +- tests/test_sourcepoint_interval/results.py | 2 +- tests/test_sourcepoint_latest/results.py | 2 +- tests/test_sourcepoint_restart/results.py | 2 +- tests/test_statepoint_batch/results.py | 2 +- tests/test_statepoint_interval/results.py | 2 +- tests/test_statepoint_restart/results.py | 2 +- tests/test_statepoint_sourcesep/results.py | 2 +- tests/test_survival_biasing/results.py | 2 +- tests/test_tally_assumesep/results.py | 2 +- tests/test_tally_nuclides/results.py | 2 +- tests/test_trace/results.py | 2 +- tests/test_translation/results.py | 2 +- tests/test_uniform_fs/results.py | 2 +- tests/test_universe/results.py | 2 +- tests/test_void/results.py | 2 +- 79 files changed, 79 insertions(+), 79 deletions(-) diff --git a/tests/test_basic/results.py b/tests/test_basic/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_basic/results.py +++ b/tests/test_basic/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_cmfd_feed/results.py b/tests/test_cmfd_feed/results.py index 26bcb36d9f..bf969b4b04 100644 --- a/tests/test_cmfd_feed/results.py +++ b/tests/test_cmfd_feed/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_cmfd_jfnk/results.py b/tests/test_cmfd_jfnk/results.py index 26bcb36d9f..bf969b4b04 100644 --- a/tests/test_cmfd_jfnk/results.py +++ b/tests/test_cmfd_jfnk/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_cmfd_nofeed/results.py b/tests/test_cmfd_nofeed/results.py index 26bcb36d9f..bf969b4b04 100644 --- a/tests/test_cmfd_nofeed/results.py +++ b/tests/test_cmfd_nofeed/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_confidence_intervals/results.py b/tests/test_confidence_intervals/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_confidence_intervals/results.py +++ b/tests/test_confidence_intervals/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_density_atombcm/results.py b/tests/test_density_atombcm/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_density_atombcm/results.py +++ b/tests/test_density_atombcm/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_density_atomcm3/results.py b/tests/test_density_atomcm3/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_density_atomcm3/results.py +++ b/tests/test_density_atomcm3/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_density_kgm3/results.py b/tests/test_density_kgm3/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_density_kgm3/results.py +++ b/tests/test_density_kgm3/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_density_sum/results.py b/tests/test_density_sum/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_density_sum/results.py +++ b/tests/test_density_sum/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_eigenvalue_genperbatch/results.py b/tests/test_eigenvalue_genperbatch/results.py index 36b1a0a5f2..e2bb49e235 100644 --- a/tests/test_eigenvalue_genperbatch/results.py +++ b/tests/test_eigenvalue_genperbatch/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_eigenvalue_no_inactive/results.py b/tests/test_eigenvalue_no_inactive/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_eigenvalue_no_inactive/results.py +++ b/tests/test_eigenvalue_no_inactive/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_energy_grid/results.py b/tests/test_energy_grid/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_energy_grid/results.py +++ b/tests/test_energy_grid/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_entropy/results.py b/tests/test_entropy/results.py index 9118335186..6c56b22c19 100644 --- a/tests/test_entropy/results.py +++ b/tests/test_entropy/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_cell/results.py b/tests/test_filter_cell/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_cell/results.py +++ b/tests/test_filter_cell/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_cellborn/results.py b/tests/test_filter_cellborn/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_cellborn/results.py +++ b/tests/test_filter_cellborn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_energy/results.py b/tests/test_filter_energy/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_energy/results.py +++ b/tests/test_filter_energy/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_energyout/results.py b/tests/test_filter_energyout/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_energyout/results.py +++ b/tests/test_filter_energyout/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_group_transfer/results.py b/tests/test_filter_group_transfer/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_group_transfer/results.py +++ b/tests/test_filter_group_transfer/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_material/results.py b/tests/test_filter_material/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_material/results.py +++ b/tests/test_filter_material/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_mesh_2d/results.py b/tests/test_filter_mesh_2d/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_mesh_2d/results.py +++ b/tests/test_filter_mesh_2d/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_mesh_3d/results.py b/tests/test_filter_mesh_3d/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_mesh_3d/results.py +++ b/tests/test_filter_mesh_3d/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_filter_universe/results.py b/tests/test_filter_universe/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_filter_universe/results.py +++ b/tests/test_filter_universe/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_fixed_source/results.py b/tests/test_fixed_source/results.py index ed0c8fd3a7..39695b1e47 100644 --- a/tests/test_fixed_source/results.py +++ b/tests/test_fixed_source/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_lattice/results.py b/tests/test_lattice/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_lattice/results.py +++ b/tests/test_lattice/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_lattice_multiple/results.py b/tests/test_lattice_multiple/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_lattice_multiple/results.py +++ b/tests/test_lattice_multiple/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_natural_element/results.py b/tests/test_natural_element/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_natural_element/results.py +++ b/tests/test_natural_element/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_output/results.py b/tests/test_output/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_output/results.py +++ b/tests/test_output/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_particle_restart_eigval/results.py b/tests/test_particle_restart_eigval/results.py index 23670872be..5f522b0848 100644 --- a/tests/test_particle_restart_eigval/results.py +++ b/tests/test_particle_restart_eigval/results.py @@ -3,7 +3,7 @@ import sys # import particle restart -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import particle_restart as pr # read in particle restart file diff --git a/tests/test_particle_restart_fixed/results.py b/tests/test_particle_restart_fixed/results.py index e84cb88cff..84956f1d0b 100644 --- a/tests/test_particle_restart_fixed/results.py +++ b/tests/test_particle_restart_fixed/results.py @@ -3,7 +3,7 @@ import sys # import particle restart -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import particle_restart as pr # read in particle restart file diff --git a/tests/test_ptables_off/results.py b/tests/test_ptables_off/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_ptables_off/results.py +++ b/tests/test_ptables_off/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_reflective_cone/results.py b/tests/test_reflective_cone/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_reflective_cone/results.py +++ b/tests/test_reflective_cone/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_reflective_cylinder/results.py b/tests/test_reflective_cylinder/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_reflective_cylinder/results.py +++ b/tests/test_reflective_cylinder/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_reflective_plane/results.py b/tests/test_reflective_plane/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_reflective_plane/results.py +++ b/tests/test_reflective_plane/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_reflective_sphere/results.py b/tests/test_reflective_sphere/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_reflective_sphere/results.py +++ b/tests/test_reflective_sphere/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_resonance_scattering/results.py b/tests/test_resonance_scattering/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_resonance_scattering/results.py +++ b/tests/test_resonance_scattering/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_rotation/results.py b/tests/test_rotation/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_rotation/results.py +++ b/tests/test_rotation/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_salphabeta/results.py b/tests/test_salphabeta/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_salphabeta/results.py +++ b/tests/test_salphabeta/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_salphabeta_multiple/results.py b/tests/test_salphabeta_multiple/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_salphabeta_multiple/results.py +++ b/tests/test_salphabeta_multiple/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_MT/results.py b/tests/test_score_MT/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_MT/results.py +++ b/tests/test_score_MT/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_absorption/results.py b/tests/test_score_absorption/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_absorption/results.py +++ b/tests/test_score_absorption/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_current/results.py b/tests/test_score_current/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_current/results.py +++ b/tests/test_score_current/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_events/results.py b/tests/test_score_events/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_events/results.py +++ b/tests/test_score_events/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_fission/results.py b/tests/test_score_fission/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_fission/results.py +++ b/tests/test_score_fission/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_flux/results.py b/tests/test_score_flux/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_flux/results.py +++ b/tests/test_score_flux/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_flux_yn/results.py b/tests/test_score_flux_yn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_flux_yn/results.py +++ b/tests/test_score_flux_yn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_kappafission/results.py b/tests/test_score_kappafission/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_kappafission/results.py +++ b/tests/test_score_kappafission/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_nufission/results.py b/tests/test_score_nufission/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_nufission/results.py +++ b/tests/test_score_nufission/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_nuscatter/results.py b/tests/test_score_nuscatter/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_nuscatter/results.py +++ b/tests/test_score_nuscatter/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_nuscatter_n/results.py b/tests/test_score_nuscatter_n/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_nuscatter_n/results.py +++ b/tests/test_score_nuscatter_n/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_nuscatter_pn/results.py b/tests/test_score_nuscatter_pn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_nuscatter_pn/results.py +++ b/tests/test_score_nuscatter_pn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_nuscatter_yn/results.py b/tests/test_score_nuscatter_yn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_nuscatter_yn/results.py +++ b/tests/test_score_nuscatter_yn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_scatter/results.py b/tests/test_score_scatter/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_scatter/results.py +++ b/tests/test_score_scatter/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_scatter_n/results.py b/tests/test_score_scatter_n/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_scatter_n/results.py +++ b/tests/test_score_scatter_n/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_scatter_pn/results.py b/tests/test_score_scatter_pn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_scatter_pn/results.py +++ b/tests/test_score_scatter_pn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_scatter_yn/results.py b/tests/test_score_scatter_yn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_scatter_yn/results.py +++ b/tests/test_score_scatter_yn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_total/results.py b/tests/test_score_total/results.py index 93371960ae..fd27b041a2 100644 --- a/tests/test_score_total/results.py +++ b/tests/test_score_total/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_score_total_yn/results.py b/tests/test_score_total_yn/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_score_total_yn/results.py +++ b/tests/test_score_total_yn/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_seed/results.py b/tests/test_seed/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_seed/results.py +++ b/tests/test_seed/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_source_angle_mono/results.py b/tests/test_source_angle_mono/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_source_angle_mono/results.py +++ b/tests/test_source_angle_mono/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_source_energy_maxwell/results.py b/tests/test_source_energy_maxwell/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_source_energy_maxwell/results.py +++ b/tests/test_source_energy_maxwell/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_source_energy_mono/results.py b/tests/test_source_energy_mono/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_source_energy_mono/results.py +++ b/tests/test_source_energy_mono/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_source_file/results.py b/tests/test_source_file/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_source_file/results.py +++ b/tests/test_source_file/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_source_point/results.py b/tests/test_source_point/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_source_point/results.py +++ b/tests/test_source_point/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_sourcepoint_batch/results.py b/tests/test_sourcepoint_batch/results.py index 96984b2fae..1f9f4f1a8d 100644 --- a/tests/test_sourcepoint_batch/results.py +++ b/tests/test_sourcepoint_batch/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_sourcepoint_interval/results.py b/tests/test_sourcepoint_interval/results.py index 96984b2fae..1f9f4f1a8d 100644 --- a/tests/test_sourcepoint_interval/results.py +++ b/tests/test_sourcepoint_interval/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_sourcepoint_latest/results.py b/tests/test_sourcepoint_latest/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_sourcepoint_latest/results.py +++ b/tests/test_sourcepoint_latest/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_sourcepoint_restart/results.py b/tests/test_sourcepoint_restart/results.py index f4c32a893f..fa385bc37f 100644 --- a/tests/test_sourcepoint_restart/results.py +++ b/tests/test_sourcepoint_restart/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_statepoint_batch/results.py b/tests/test_statepoint_batch/results.py index 112c005167..39f6af12f2 100644 --- a/tests/test_statepoint_batch/results.py +++ b/tests/test_statepoint_batch/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_statepoint_interval/results.py b/tests/test_statepoint_interval/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_statepoint_interval/results.py +++ b/tests/test_statepoint_interval/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_statepoint_restart/results.py b/tests/test_statepoint_restart/results.py index dd9dedd035..b5daa76874 100644 --- a/tests/test_statepoint_restart/results.py +++ b/tests/test_statepoint_restart/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_statepoint_sourcesep/results.py b/tests/test_statepoint_sourcesep/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_statepoint_sourcesep/results.py +++ b/tests/test_statepoint_sourcesep/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_survival_biasing/results.py b/tests/test_survival_biasing/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_survival_biasing/results.py +++ b/tests/test_survival_biasing/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_tally_assumesep/results.py b/tests/test_tally_assumesep/results.py index 3cba794205..9b283b63a3 100644 --- a/tests/test_tally_assumesep/results.py +++ b/tests/test_tally_assumesep/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_tally_nuclides/results.py b/tests/test_tally_nuclides/results.py index 3aa0946a5d..4f155fb0f9 100644 --- a/tests/test_tally_nuclides/results.py +++ b/tests/test_tally_nuclides/results.py @@ -4,7 +4,7 @@ import sys import numpy as np # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_trace/results.py b/tests/test_trace/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_trace/results.py +++ b/tests/test_trace/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_translation/results.py b/tests/test_translation/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_translation/results.py +++ b/tests/test_translation/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_uniform_fs/results.py b/tests/test_uniform_fs/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_uniform_fs/results.py +++ b/tests/test_uniform_fs/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_universe/results.py b/tests/test_universe/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_universe/results.py +++ b/tests/test_universe/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file diff --git a/tests/test_void/results.py b/tests/test_void/results.py index 8ff10971cd..be13ee66f1 100644 --- a/tests/test_void/results.py +++ b/tests/test_void/results.py @@ -3,7 +3,7 @@ import sys # import statepoint -sys.path.append('../../src/utils') +sys.path.insert(0, '../../src/utils') import statepoint # read in statepoint file