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https://github.com/openmc-dev/openmc.git
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Ability to create HDF5 state points (without source sites).
This commit is contained in:
Paul Romano
parent
03a5a825bc
commit
15768b36aa
6 changed files with 361 additions and 4 deletions
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@ -25,6 +25,7 @@ cross_section.o: search.o
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criticality.o: constants.o
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criticality.o: finalize.o
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criticality.o: global.o
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criticality.o: hdf5_interface.o
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criticality.o: intercycle.o
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criticality.o: output.o
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criticality.o: physics.o
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@ -64,6 +65,7 @@ fission.o: search.o
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fixed_source.o: constants.o
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fixed_source.o: global.o
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fixed_source.o: hdf5_interface.o
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fixed_source.o: output.o
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fixed_source.o: physics.o
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fixed_source.o: random_lcg.o
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@ -102,7 +104,9 @@ hdf5_interface.o: endf.o
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hdf5_interface.o: geometry_header.o
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hdf5_interface.o: global.o
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hdf5_interface.o: material_header.o
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hdf5_interface.o: output.o
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hdf5_interface.o: string.o
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hdf5_interface.o: tally_header.o
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initialize.o: ace.o
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initialize.o: bank_header.o
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@ -12,6 +12,10 @@ module criticality
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use tally, only: synchronize_tallies
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use timing, only: timer_start, timer_stop
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#ifdef HDF5
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use hdf5_interface, only: hdf5_write_state_point
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#endif
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contains
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!===============================================================================
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@ -152,7 +156,11 @@ contains
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do i = 1, n_state_points
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if (current_batch == statepoint_batch(i)) then
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! Create state point file
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#ifdef HDF5
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call hdf5_write_state_point()
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#else
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call write_state_point()
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#endif
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exit
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end if
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end do
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@ -12,6 +12,10 @@ module fixed_source
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use tally, only: synchronize_tallies
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use timing, only: timer_start, timer_stop
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#ifdef HDF5
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use hdf5_interface, only: hdf5_write_state_point
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#endif
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type(Bank), pointer :: source_site => null()
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contains
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@ -115,7 +119,11 @@ contains
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if (master) then
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do i = 1, n_state_points
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if (current_batch == statepoint_batch(i)) then
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#ifdef HDF5
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call hdf5_write_state_point()
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#else
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call write_state_point()
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#endif
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exit
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end if
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end do
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@ -109,7 +109,7 @@ module global
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! 3) track-length estimate of k-eff
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! 4) leakage fraction
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type(TallyScore) :: global_tallies(N_GLOBAL_TALLIES)
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type(TallyScore), target :: global_tallies(N_GLOBAL_TALLIES)
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! Tally map structure
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type(TallyMap), allocatable :: tally_maps(:)
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@ -216,8 +216,10 @@ module global
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! HDF5 VARIABLES
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#ifdef HDF5
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integer(HID_T) :: hdf5_output_file ! identifier for output file
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integer :: hdf5_err ! error flag
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integer(HID_T) :: hdf5_output_file ! identifier for output file
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integer(HID_T) :: hdf5_tallyscore_t ! Compound type for TallyScore
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integer(HID_T) :: hdf5_integer8_t ! type for integer(8)
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integer :: hdf5_err ! error flag
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#endif
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! ============================================================================
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@ -6,11 +6,14 @@ module hdf5_interface
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use geometry_header, only: Cell, Surface, Universe, Lattice
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use global
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use material_header, only: Material
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use output, only: write_message
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use string, only: to_str
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use tally_header, only: TallyObject
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#ifdef HDF5
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use hdf5
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use h5lt
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use, intrinsic :: ISO_C_BINDING
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#endif
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implicit none
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@ -836,6 +839,307 @@ contains
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end subroutine hdf5_close_output
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!===============================================================================
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! HDF5_INITIALIZE
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!===============================================================================
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subroutine hdf5_initialize()
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type(TallyScore), target :: tmp(2)
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! Create the compound datatype for memory.
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call h5tcreate_f(H5T_COMPOUND_F, h5offsetof(c_loc(tmp(1)), &
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c_loc(tmp(2))), hdf5_tallyscore_t, hdf5_err)
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call h5tinsert_f(hdf5_tallyscore_t, "sum", h5offsetof(c_loc(tmp(1)), &
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c_loc(tmp(1)%sum)), H5T_NATIVE_DOUBLE, hdf5_err)
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call h5tinsert_f(hdf5_tallyscore_t, "sum_sq", h5offsetof(c_loc(tmp(1)), &
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c_loc(tmp(1)%sum_sq)), H5T_NATIVE_DOUBLE, hdf5_err)
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! Determine type for integer(8)
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hdf5_integer8_t = h5kind_to_type(8, H5_INTEGER_KIND)
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end subroutine hdf5_initialize
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!===============================================================================
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! HDF5_WRITE_STATE_POINT
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!===============================================================================
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subroutine hdf5_write_state_point()
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integer :: i, j ! loop indices
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integer(HSIZE_T) :: dims(1) ! dimensions of 1D arrays
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integer(HSIZE_T) :: dims2(2) ! dimensions of 2D arrays
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integer(HID_T) :: hdf5_state_point ! identifier for state point file
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integer(HID_T) :: tallies_group ! "tallies" group
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integer(HID_T) :: temp_group ! group for i-th tally or mesh
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integer(HID_T) :: filter_group ! group for i-th filter
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integer(HID_T) :: dspace ! identifier for dataspace
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integer(HID_T) :: dset ! identifier for dataset
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integer, allocatable :: temp_array(:) ! nuclide bin array
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character(8) :: date_
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character(10) :: time_
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character(19) :: current_time
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type(c_ptr) :: f_ptr ! Pointer for h5dwrite
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type(TallyObject), pointer :: t => null()
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path_state_point = 'statepoint.' // trim(to_str(current_batch)) // '.h5'
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! Write message
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message = "Creating HDF5 state point " // trim(path_state_point) // "..."
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call write_message(1)
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! Only master process should continue from here
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if (.not. master) return
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! Open binary state point file for writing
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! Create a new state point file using default properties.
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call h5fcreate_f(path_state_point, H5F_ACC_TRUNC_F, hdf5_state_point, &
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hdf5_err)
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! Write revision number for state point file
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call hdf5_make_integer(hdf5_state_point, "revision_statepoint", &
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REVISION_STATEPOINT)
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! Write OpenMC version
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call hdf5_make_integer(hdf5_state_point, "version_major", VERSION_MAJOR)
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call hdf5_make_integer(hdf5_state_point, "version_minor", VERSION_MINOR)
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call hdf5_make_integer(hdf5_state_point, "version_release", VERSION_RELEASE)
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! Write current date and time
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call date_and_time(DATE=date_, TIME=time_)
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current_time = date_(1:4) // "-" // date_(5:6) // "-" // date_(7:8) // &
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" " // time_(1:2) // ":" // time_(3:4) // ":" // time_(5:6)
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call h5ltmake_dataset_string_f(hdf5_state_point, "date_and_time", &
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current_time, hdf5_err)
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! Write out random number seed
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call hdf5_make_long(hdf5_state_point, "seed", seed)
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! Write run information
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call hdf5_make_integer(hdf5_state_point, "run_mode", run_mode)
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call hdf5_make_long(hdf5_state_point, "n_particles", n_particles)
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call hdf5_make_integer(hdf5_state_point, "n_batches", n_batches)
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! Write out current batch number
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call hdf5_make_integer(hdf5_state_point, "current_batch", current_batch)
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! Write out information for criticality run
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if (run_mode == MODE_CRITICALITY) then
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call hdf5_make_integer(hdf5_state_point, "n_inactive", n_inactive)
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call hdf5_make_integer(hdf5_state_point, "gen_per_batch", gen_per_batch)
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! Write out keff and entropy
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dims(1) = current_batch
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call h5ltmake_dataset_double_f(hdf5_state_point, "k_batch", 1, &
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dims, k_batch, hdf5_err)
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call h5ltmake_dataset_double_f(hdf5_state_point, "entropy", 1, &
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dims, entropy, hdf5_err)
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end if
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! Write out global tallies sum and sum_sq
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call hdf5_make_integer(hdf5_state_point, "n_global_tallies", &
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N_GLOBAL_TALLIES)
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! Write global tallies
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dims(1) = N_GLOBAL_TALLIES
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call h5screate_simple_f(1, dims, dspace, hdf5_err)
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call h5dcreate_f(hdf5_state_point, "global_tallies", hdf5_tallyscore_t, &
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dspace, dset, hdf5_err)
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f_ptr = c_loc(global_tallies(1))
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CALL h5dwrite_f(dset, hdf5_tallyscore_t, f_ptr, hdf5_err)
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call h5dclose_f(dset, hdf5_err)
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call h5sclose_f(dspace, hdf5_err)
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! Create group for tallies
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call h5gcreate_f(hdf5_state_point, "tallies", tallies_group, hdf5_err)
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! Write total number of meshes
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call hdf5_make_integer(tallies_group, "n_meshes", n_meshes)
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! Write information for meshes
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MESH_LOOP: do i = 1, n_meshes
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! Create temporary group for each mesh
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call h5gcreate_f(tallies_group, "mesh " // to_str(meshes(i) % id), &
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temp_group, hdf5_err)
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! Write type and number of dimensions
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call hdf5_make_integer(temp_group, "type", meshes(i) % type)
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call hdf5_make_integer(temp_group, "n_dimension", &
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meshes(i) % n_dimension)
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! Write mesh information
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dims(1) = meshes(i) % n_dimension
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call h5ltmake_dataset_int_f(temp_group, "dimension", 1, &
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dims, meshes(i) % dimension, hdf5_err)
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call h5ltmake_dataset_double_f(temp_group, "lower_left", 1, &
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dims, meshes(i) % lower_left, hdf5_err)
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call h5ltmake_dataset_double_f(temp_group, "upper_right", 1, &
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dims, meshes(i) % upper_right, hdf5_err)
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call h5ltmake_dataset_double_f(temp_group, "width", 1, &
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dims, meshes(i) % width, hdf5_err)
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! Close temporary group for mesh
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call h5gclose_f(temp_group, hdf5_err)
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end do MESH_LOOP
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! Write number of tallies
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call hdf5_make_integer(tallies_group, "n_tallies", n_tallies)
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TALLY_METADATA: do i = 1, n_tallies
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! Get pointer to tally
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t => tallies(i)
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! Create group for this tally
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call h5gcreate_f(tallies_group, "tally " // to_str(t % id), &
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temp_group, hdf5_err)
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! Write size of each tally
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call hdf5_make_integer(temp_group, "n_filter_bins", size(t % scores, 1))
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call hdf5_make_integer(temp_group, "n_total_score_bins", &
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size(t % scores, 2))
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! Write number of filters
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call hdf5_make_integer(temp_group, "n_filters", t % n_filters)
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FILTER_LOOP: do j = 1, t % n_filters
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! Create filter group
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call h5gcreate_f(temp_group, "filter " // to_str(j), filter_group, &
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hdf5_err)
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! Write type of filter
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call hdf5_make_integer(filter_group, "type", t % filters(j))
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! Write number of bins for this filter
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call hdf5_make_integer(filter_group, "n_bins", t % n_filter_bins(&
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t % filters(j)))
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! Write filter bins
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select case (t % filters(j))
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case(FILTER_UNIVERSE)
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dims(1) = size(t % universe_bins)
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call h5ltmake_dataset_int_f(filter_group, "bins", 1, &
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dims, t % universe_bins, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"universe", hdf5_err)
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case(FILTER_MATERIAL)
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dims(1) = size(t % material_bins)
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call h5ltmake_dataset_int_f(filter_group, "bins", 1, &
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dims, t % material_bins, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"material", hdf5_err)
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case(FILTER_CELL)
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dims(1) = size(t % cell_bins)
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call h5ltmake_dataset_int_f(filter_group, "bins", 1, &
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dims, t % cell_bins, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"cell", hdf5_err)
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case(FILTER_CELLBORN)
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dims(1) = size(t % cellborn_bins)
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call h5ltmake_dataset_int_f(filter_group, "bins", 1, &
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dims, t % cellborn_bins, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"cellborn", hdf5_err)
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case(FILTER_SURFACE)
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dims(1) = size(t % surface_bins)
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call h5ltmake_dataset_int_f(filter_group, "bins", 1, &
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dims, t % surface_bins, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"surface", hdf5_err)
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case(FILTER_MESH)
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dims(1) = 1
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call hdf5_make_integer(filter_group, "bins", t % mesh)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"mesh", hdf5_err)
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case(FILTER_ENERGYIN)
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dims(1) = size(t % energy_in)
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call h5ltmake_dataset_double_f(filter_group, "bins", 1, &
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dims, t % energy_in, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"energy", hdf5_err)
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case(FILTER_ENERGYOUT)
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dims(1) = size(t % energy_out)
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call h5ltmake_dataset_double_f(filter_group, "bins", 1, &
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dims, t % energy_out, hdf5_err)
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call h5ltmake_dataset_string_f(filter_group, "type_name", &
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"energyout", hdf5_err)
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end select
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! Close group for this filter
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call h5gclose_f(filter_group, hdf5_err)
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end do FILTER_LOOP
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! Write number of nuclide bins
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call hdf5_make_integer(temp_group, "n_nuclide_bins", &
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t % n_nuclide_bins)
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! Create temporary array for nuclide bins
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allocate(temp_array(t % n_nuclide_bins))
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NUCLIDE_LOOP: do j = 1, t % n_nuclide_bins
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if (t % nuclide_bins(j) > 0) then
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temp_array(j) = nuclides(t % nuclide_bins(j)) % zaid
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else
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temp_array(j) = t % nuclide_bins(j)
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end if
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end do NUCLIDE_LOOP
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! Write and deallocate nuclide bins
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dims(1) = t % n_nuclide_bins
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call h5ltmake_dataset_int_f(temp_group, "nuclide_bins", 1, &
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dims, temp_array, hdf5_err)
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deallocate(temp_array)
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! Write number of score bins
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call hdf5_make_integer(temp_group, "n_score_bins", &
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t % n_score_bins)
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dims(1) = t % n_score_bins
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call h5ltmake_dataset_int_f(temp_group, "score_bins", 1, &
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dims, t % score_bins, hdf5_err)
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! Close tally group
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call h5gclose_f(temp_group, hdf5_err)
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end do TALLY_METADATA
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if (tallies_on) then
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! Indicate that tallies are on
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call hdf5_make_integer(tallies_group, "tallies_present", 1)
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! Write tally sum and sum_sq
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TALLY_SCORES: do i = 1, n_tallies
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! Get pointer to tally
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t => tallies(i)
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! Open group for the i-th tally
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call h5gopen_f(tallies_group, "tally " // to_str(t % id), &
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temp_group, hdf5_err)
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! Write sum and sum_sq for each bin
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dims2 = shape(t % scores)
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call h5screate_simple_f(2, dims2, dspace, hdf5_err)
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call h5dcreate_f(temp_group, "values", hdf5_tallyscore_t, &
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dspace, dset, hdf5_err)
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f_ptr = c_loc(t % scores(1, 1))
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CALL h5dwrite_f(dset, hdf5_tallyscore_t, f_ptr, hdf5_err)
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call h5dclose_f(dset, hdf5_err)
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call h5sclose_f(dspace, hdf5_err)
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! Close group for the i-th tally
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call h5gclose_f(temp_group, hdf5_err)
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end do TALLY_SCORES
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else
|
||||
! Indicate that tallies are off
|
||||
call hdf5_make_integer(tallies_group, "tallies_present", 0)
|
||||
end if
|
||||
|
||||
! Close tallies group
|
||||
call h5gclose_f(tallies_group, hdf5_err)
|
||||
|
||||
! Close binary state point file
|
||||
call h5fclose_f(hdf5_state_point, hdf5_err)
|
||||
|
||||
end subroutine hdf5_write_state_point
|
||||
|
||||
|
||||
!===============================================================================
|
||||
! HDF5_MAKE_INTEGER
|
||||
!===============================================================================
|
||||
|
|
@ -854,6 +1158,36 @@ contains
|
|||
|
||||
end subroutine hdf5_make_integer
|
||||
|
||||
!===============================================================================
|
||||
! HDF5_MAKE_LONG
|
||||
!===============================================================================
|
||||
|
||||
subroutine hdf5_make_long(group, name, buffer)
|
||||
|
||||
integer(HID_T), intent(in) :: group
|
||||
character(*), intent(in) :: name
|
||||
integer(8), target, intent(in) :: buffer
|
||||
|
||||
integer :: rank = 1
|
||||
integer(HSIZE_T) :: dims(1) = (/1/)
|
||||
integer(HID_T) :: dspace
|
||||
integer(HID_T) :: dset
|
||||
type(c_ptr) :: f_ptr
|
||||
|
||||
! Create dataspace and dataset
|
||||
call h5screate_simple_f(rank, dims, dspace, hdf5_err)
|
||||
call h5dcreate_f(group, name, hdf5_integer8_t, dspace, dset, hdf5_err)
|
||||
|
||||
! Write eight-byte integer
|
||||
f_ptr = c_loc(buffer)
|
||||
call h5dwrite_f(dset, hdf5_integer8_t, f_ptr, hdf5_err)
|
||||
|
||||
! Close dataspace and dataset for long integer
|
||||
call h5dclose_f(dset, hdf5_err)
|
||||
call h5sclose_f(dspace, hdf5_err)
|
||||
|
||||
end subroutine hdf5_make_long
|
||||
|
||||
!===============================================================================
|
||||
! HDF5_MAKE_DOUBLE
|
||||
!===============================================================================
|
||||
|
|
|
|||
|
|
@ -31,7 +31,7 @@ module initialize
|
|||
|
||||
#ifdef HDF5
|
||||
use hdf5_interface, only: hdf5_create_output, hdf5_write_header, &
|
||||
hdf5_write_summary
|
||||
hdf5_write_summary, hdf5_initialize
|
||||
#endif
|
||||
|
||||
implicit none
|
||||
|
|
@ -61,6 +61,7 @@ contains
|
|||
#ifdef HDF5
|
||||
! Open HDF5 output file for writing and write header information
|
||||
call hdf5_create_output()
|
||||
call hdf5_initialize()
|
||||
call hdf5_write_header()
|
||||
#endif
|
||||
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue