From 9058b7b490524e0164fdad880fbc9938753006d9 Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Mon, 9 Dec 2013 12:24:20 -0500 Subject: [PATCH 1/2] Fixed non-(current)standard usage of L(I) for Laws 4, 44, 61, 67. Error will be thrown. --- src/ace.F90 | 83 +++++++++++++++++++++++++++++++++++++++++++++++------ 1 file changed, 74 insertions(+), 9 deletions(-) diff --git a/src/ace.F90 b/src/ace.F90 index d54aa83c28..4673898c0c 100644 --- a/src/ace.F90 +++ b/src/ace.F90 @@ -161,16 +161,16 @@ contains mat % i_sab_tables(m) = temp_table end do SORT_SAB end if - + ! Deallocate temporary arrays for names of nuclides and S(a,b) tables if (allocated(mat % names)) deallocate(mat % names) if (allocated(mat % sab_names)) deallocate(mat % sab_names) end do MATERIAL_LOOP2 - + ! Avoid some valgrind leak errors call already_read % clear() - + end subroutine read_xs !=============================================================================== @@ -253,7 +253,7 @@ contains end if ! Read more header and NXS and JXS - read(UNIT=in, FMT=100) comment, mat, & + 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) @@ -277,7 +277,7 @@ contains ACCESS='direct', RECL=record_length) ! Read all header information - read(UNIT=in, REC=location) name, awr, kT, date_, & + read(UNIT=in, REC=location) name, awr, kT, date_, & comment, mat, (zaids(i), awrs(i), i=1,16), NXS, JXS ! determine table length @@ -406,7 +406,7 @@ contains integer :: LNU ! type of nu data (polynomial or tabular) integer :: NC ! number of polynomial coefficients integer :: NR ! number of interpolation regions - integer :: NE ! number of energies + integer :: NE ! number of energies integer :: NPCR ! number of delayed neutron precursor groups integer :: LED ! location of energy distribution locators integer :: LDIS ! location of all energy distributions @@ -809,7 +809,7 @@ contains LED = JXS(10) - ! Loop over all reactions + ! Loop over all reactions do i = 1, NXS(5) rxn => nuc % reactions(i+1) ! skip over elastic scattering rxn % has_energy_dist = .true. @@ -840,7 +840,7 @@ contains integer :: LDIS ! location of all energy distributions integer :: LNW ! location of next energy distribution if multiple - integer :: LAW ! secondary energy distribution law + integer :: LAW ! secondary energy distribution law integer :: NR ! number of interpolation regions integer :: NE ! number of incoming energies integer :: IDAT ! location of first energy distribution for given MT @@ -934,6 +934,7 @@ contains integer :: NEa ! number of energies for Watt 'a' integer :: NRb ! number of interpolation regions for Watt 'b' integer :: NEb ! number of energies for Watt 'b' + real(8), allocatable :: L(:) ! locations of distributions for each Ein ! initialize length length = 0 @@ -958,6 +959,22 @@ contains ! Continuous tabular distribution NR = int(XSS(lc + 1)) NE = int(XSS(lc + 2 + 2*NR)) + ! Before progressing, check to see if data set uses L(I) values + ! in a way inconsistent with the current form of the ACE Format Guide + ! (MCNP5 Manual, Vol 3) + allocate(L(NE)) + L = int(XSS(lc + 3 + 2*NR + NE: lc + 3 + 2*NR + 2*NE - 1)) + do i = 1,NE + ! Now check to see if L(i) is equal to any other entries + ! If so, then we must exit + if (count(L == L(i)) > 1) then + message = "Invalid usage of L(I) in ACE data; & + &Consider using more recent data set." + call fatal_error() + end if + end do + deallocate(L) + ! Continue with finding data length length = length + 2 + 2*NR + 2*NE do i = 1,NE ! determine length @@ -1000,6 +1017,22 @@ contains ! Kalbach-Mann correlated scattering NR = int(XSS(lc + 1)) NE = int(XSS(lc + 2 + 2*NR)) + ! Before progressing, check to see if data set uses L(I) values + ! in a way inconsistent with the current form of the ACE Format Guide + ! (MCNP5 Manual, Vol 3) + allocate(L(NE)) + L = int(XSS(lc + 3 + 2*NR + NE: lc + 3 + 2*NR + 2*NE - 1)) + do i = 1,NE + ! Now check to see if L(i) is equal to any other entries + ! If so, then we must exit + if (count(L == L(i)) > 1) then + message = "Invalid usage of L(I) in ACE data; & + &Consider using more recent data set." + call fatal_error() + end if + end do + deallocate(L) + ! Continue with finding data length length = length + 2 + 2*NR + 2*NE do i = 1,NE NP = int(XSS(lc + length + 2)) @@ -1014,6 +1047,22 @@ contains ! Correlated energy and angle distribution NR = int(XSS(lc + 1)) NE = int(XSS(lc + 2 + 2*NR)) + ! Before progressing, check to see if data set uses L(I) values + ! in a way inconsistent with the current form of the ACE Format Guide + ! (MCNP5 Manual, Vol 3) + allocate(L(NE)) + L = int(XSS(lc + 3 + 2*NR + NE: lc + 3 + 2*NR + 2*NE - 1)) + do i = 1,NE + ! Now check to see if L(i) is equal to any other entries + ! If so, then we must exit + if (count(L == L(i)) > 1) then + message = "Invalid usage of L(I) in ACE data; & + &Consider using more recent data set." + call fatal_error() + end if + end do + deallocate(L) + ! Continue with finding data length length = length + 2 + 2*NR + 2*NE do i = 1,NE ! outgoing energy distribution @@ -1046,6 +1095,22 @@ contains ! Laboratory energy-angle law NR = int(XSS(lc + 1)) NE = int(XSS(lc + 2 + 2*NR)) + ! Before progressing, check to see if data set uses L(I) values + ! in a way inconsistent with the current form of the ACE Format Guide + ! (MCNP5 Manual, Vol 3) + allocate(L(NE)) + L = int(XSS(lc + 3 + 2*NR + NE: lc + 3 + 2*NR + 2*NE - 1)) + do i = 1,NE + ! Now check to see if L(i) is equal to any other entries + ! If so, then we must exit + if (count(L == L(i)) > 1) then + message = "Invalid usage of L(I) in ACE data; & + &Consider using more recent data set." + call fatal_error() + end if + end do + deallocate(L) + ! Continue with finding data length NMU = int(XSS(lc + 4 + 2*NR + 2*NE)) length = 4 + 2*(NR + NE + NMU) @@ -1188,7 +1253,7 @@ contains integer :: NMU ! number of outgoing angles integer :: JXS4 ! location of elastic energy table - ! read secondary energy mode for inelastic scattering and check + ! read secondary energy mode for inelastic scattering table % secondary_mode = NXS(7) if (table % secondary_mode /= SAB_SECONDARY_EQUAL .and. & table % secondary_mode /= SAB_SECONDARY_SKEWED) then From 8fe5014b6d5f16fe3498d4e8e172431e00e9c055 Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Mon, 9 Dec 2013 12:31:27 -0500 Subject: [PATCH 2/2] Updated troubleshooting documentation to reflect the new error message for the invalid L(I) usage. --- docs/source/usersguide/troubleshoot.rst | 12 ++++++++++-- 1 file changed, 10 insertions(+), 2 deletions(-) diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst index a13272aa65..ba7e4405cc 100644 --- a/docs/source/usersguide/troubleshoot.rst +++ b/docs/source/usersguide/troubleshoot.rst @@ -79,6 +79,14 @@ with the :envvar:`CROSS_SECTIONS` environment variable. It is recommended to add a line in your ``.profile`` or ``.bash_profile`` setting the :envvar:`CROSS_SECTIONS` environment variable. +ERROR: Invalid usage of L(I) in ACE data; Consider using more recent data set. +****************************************************************************** + +The cross-sections requested in ``materials.xml`` do not conform to the current +standard format. This typically happens with fissionable nuclides in a ``.6*c`` +library as distributed with MCNP. Please try a newer library such as any from +the ``.7*c`` set. + Geometry Debugging ****************** @@ -107,8 +115,8 @@ have many particles travelling through them there will not be many locations where overlaps are checked for in that region. The user should refer to the output after a geometry debug run to see how many checks were performed in each cell, and then adjust the number of starting particles or starting source -distributions accordingly to achieve good coverage. - +distributions accordingly to achieve good coverage. + ERROR: After particle __ crossed surface __ it could not be located in any cell and it did not leak. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^