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https://github.com/openmc-dev/openmc.git
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Write tally info to statepoint from C++
This commit is contained in:
Sterling Harper
parent
b350e7dcd6
commit
558259e4a0
3 changed files with 130 additions and 171 deletions
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@ -16,8 +16,6 @@ contains
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subroutine simulation_init_f() bind(C)
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integer :: i
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!$omp parallel
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! Allocate array for microscopic cross section cache
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allocate(micro_xs(n_nuclides))
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@ -13,19 +13,10 @@ module state_point
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use, intrinsic :: ISO_C_BINDING
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use constants
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use endf, only: reaction_name
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use error, only: fatal_error, warning, write_message
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use hdf5_interface
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use message_passing
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use mgxs_interface
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use nuclide_header, only: nuclides
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use settings
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use simulation_header
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use string, only: to_str
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use tally_header
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use tally_filter_header
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use tally_derivative_header
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implicit none
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@ -38,167 +29,12 @@ contains
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subroutine statepoint_write_f(file_id) bind(C)
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integer(HID_T), value :: file_id
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integer :: i, j
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integer :: i_xs
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integer, allocatable :: id_array(:)
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integer(HID_T) :: tallies_group, tally_group, &
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filters_group, filter_group, derivs_group, &
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deriv_group
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character(MAX_WORD_LEN), allocatable :: str_array(:)
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character(MAX_WORD_LEN, kind=C_CHAR) :: temp_name
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type(TallyDerivative), pointer :: deriv
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integer :: i
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integer(HID_T) :: tallies_group, tally_group
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! Open tallies group
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tallies_group = open_group(file_id, "tallies")
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! Write information for derivatives.
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if (n_tally_derivs() > 0) then
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derivs_group = create_group(tallies_group, "derivatives")
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do i = 0, n_tally_derivs() - 1
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deriv => tally_deriv_c(i)
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deriv_group = create_group(derivs_group, "derivative " &
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// trim(to_str(deriv % id)))
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select case (deriv % variable)
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case (DIFF_DENSITY)
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call write_dataset(deriv_group, "independent variable", "density")
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call write_dataset(deriv_group, "material", deriv % diff_material)
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case (DIFF_NUCLIDE_DENSITY)
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call write_dataset(deriv_group, "independent variable", &
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"nuclide_density")
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call write_dataset(deriv_group, "material", deriv % diff_material)
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call write_dataset(deriv_group, "nuclide", &
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nuclides(deriv % diff_nuclide) % name)
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case (DIFF_TEMPERATURE)
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call write_dataset(deriv_group, "independent variable", &
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"temperature")
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call write_dataset(deriv_group, "material", deriv % diff_material)
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case default
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call fatal_error("Independent variable for derivative " &
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// trim(to_str(deriv % id)) // " not defined in &
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&state_point.F90.")
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end select
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call close_group(deriv_group)
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end do
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call close_group(derivs_group)
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end if
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! Write number of filters
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filters_group = create_group(tallies_group, "filters")
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call write_attribute(filters_group, "n_filters", n_filters)
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if (n_filters > 0) then
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! Write IDs of filters
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allocate(id_array(n_filters))
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do i = 1, n_filters
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id_array(i) = filters(i) % obj % id()
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end do
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call write_attribute(filters_group, "ids", id_array)
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deallocate(id_array)
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! Write filter information
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FILTER_LOOP: do i = 1, n_filters
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filter_group = create_group(filters_group, "filter " // &
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trim(to_str(filters(i) % obj % id())))
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call filters(i) % obj % to_statepoint(filter_group)
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call close_group(filter_group)
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end do FILTER_LOOP
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end if
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call close_group(filters_group)
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! Write number of tallies
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call write_attribute(tallies_group, "n_tallies", n_tallies)
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if (n_tallies > 0) then
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! Write array of tally IDs
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allocate(id_array(n_tallies))
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do i = 1, n_tallies
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id_array(i) = tallies(i) % obj % id()
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end do
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call write_attribute(tallies_group, "ids", id_array)
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deallocate(id_array)
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! Write all tally information except results
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TALLY_METADATA: do i = 1, n_tallies
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! Get pointer to tally
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associate (tally => tallies(i) % obj)
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tally_group = create_group(tallies_group, "tally " // &
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trim(to_str(tally % id())))
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! Write the name for this tally
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call write_dataset(tally_group, "name", tally % name)
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select case(tally % estimator())
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case (ESTIMATOR_ANALOG)
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call write_dataset(tally_group, "estimator", "analog")
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case (ESTIMATOR_TRACKLENGTH)
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call write_dataset(tally_group, "estimator", "tracklength")
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case (ESTIMATOR_COLLISION)
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call write_dataset(tally_group, "estimator", "collision")
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end select
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call write_dataset(tally_group, "n_realizations", &
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tally % n_realizations)
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call write_dataset(tally_group, "n_filters", tally % n_filters())
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if (tally % n_filters() > 0) then
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! Write IDs of filters
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allocate(id_array(tally % n_filters()))
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do j = 1, tally % n_filters()
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id_array(j) = filters(tally % filter(j) + 1) % obj % id()
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end do
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call write_dataset(tally_group, "filters", id_array)
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deallocate(id_array)
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end if
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! Set up nuclide bin array and then write
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allocate(str_array(tally % n_nuclide_bins()))
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NUCLIDE_LOOP: do j = 1, tally % n_nuclide_bins()
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if (tally % nuclide_bins(j) >= 0) then
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if (run_CE) then
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i_xs = index(nuclides(tally % nuclide_bins(j)+1) % name, '.')
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if (i_xs > 0) then
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str_array(j) = nuclides(tally % nuclide_bins(j)+1) % name(1 : i_xs-1)
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else
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str_array(j) = nuclides(tally % nuclide_bins(j)+1) % name
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end if
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else
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call get_name_c(tally % nuclide_bins(j)+1, len(temp_name), &
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temp_name)
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i_xs = index(temp_name, '.')
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if (i_xs > 0) then
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str_array(j) = trim(temp_name(1 : i_xs-1))
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else
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str_array(j) = trim(temp_name)
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end if
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end if
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else
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str_array(j) = 'total'
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end if
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end do NUCLIDE_LOOP
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call write_dataset(tally_group, "nuclides", str_array)
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deallocate(str_array)
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! Write derivative information.
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if (tally % deriv() /= C_NONE) then
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deriv => tally_deriv_c(tally % deriv())
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call write_dataset(tally_group, "derivative", deriv % id)
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end if
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! Write scores.
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call write_dataset(tally_group, "n_score_bins", tally % n_score_bins())
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allocate(str_array(tally % n_score_bins()))
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do j = 1, tally % n_score_bins()
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str_array(j) = reaction_name(tally % score_bins(j))
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end do
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call write_dataset(tally_group, "score_bins", str_array)
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deallocate(str_array)
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call close_group(tally_group)
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end associate
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end do TALLY_METADATA
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end if
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if (reduce_tallies) then
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! Write global tallies
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call write_dataset(file_id, "global_tallies", global_tallies)
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@ -17,9 +17,12 @@
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#include "openmc/hdf5_interface.h"
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#include "openmc/mesh.h"
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#include "openmc/message_passing.h"
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#include "openmc/mgxs_interface.h"
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#include "openmc/nuclide.h"
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#include "openmc/output.h"
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#include "openmc/settings.h"
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#include "openmc/simulation.h"
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#include "openmc/tallies/derivative.h"
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#include "openmc/tallies/filter.h"
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#include "openmc/tallies/tally.h"
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#include "openmc/timer.h"
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@ -101,13 +104,135 @@ openmc_statepoint_write(const char* filename, bool* write_source)
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write_attribute(file_id, "source_present", write_source_);
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// Write out information for eigenvalue run
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if (settings::run_mode == RUN_MODE_EIGENVALUE) write_eigenvalue_hdf5(file_id);
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if (settings::run_mode == RUN_MODE_EIGENVALUE)
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write_eigenvalue_hdf5(file_id);
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// Write tally-related data
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hid_t tallies_group = create_group(file_id, "tallies");
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// Write meshes
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meshes_to_hdf5(tallies_group);
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statepoint_write_f(file_id);
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// Write information for derivatives
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if (!model::tally_derivs.empty()) {
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hid_t derivs_group = create_group(tallies_group, "derivatives");
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for (const auto& deriv : model::tally_derivs) {
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hid_t deriv_group = create_group(derivs_group,
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"derivative " + std::to_string(deriv.id));
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write_dataset(deriv_group, "material", deriv.diff_material);
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if (deriv.variable == DIFF_DENSITY) {
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write_dataset(deriv_group, "independent variable", "density");
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} else if (deriv.variable == DIFF_NUCLIDE_DENSITY) {
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write_dataset(deriv_group, "independent variable", "nuclide_density");
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//TODO: off-by-one
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write_dataset(deriv_group, "nuclide",
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data::nuclides[deriv.diff_nuclide-1]->name_);
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} else if (deriv.variable == DIFF_TEMPERATURE) {
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write_dataset(deriv_group, "independent variable", "temperature");
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} else {
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fatal_error("Independent variable for derivative "
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+ std::to_string(deriv.id) + " not defined in state_point.cpp");
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}
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close_group(deriv_group);
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}
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close_group(derivs_group);
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}
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// Write information for filters
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hid_t filters_group = create_group(tallies_group, "filters");
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write_attribute(filters_group, "n_filters", model::tally_filters.size());
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if (!model::tally_filters.empty()) {
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// Write filter IDs
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std::vector<int32_t> filter_ids;
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filter_ids.reserve(model::tally_filters.size());
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for (const auto& filt : model::tally_filters)
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filter_ids.push_back(filt->id_);
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write_attribute(filters_group, "ids", filter_ids);
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// Write info for each filter
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for (const auto& filt : model::tally_filters) {
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hid_t filter_group = create_group(filters_group,
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"filter " + std::to_string(filt->id_));
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filt->to_statepoint(filter_group);
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close_group(filter_group);
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}
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}
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close_group(filters_group);
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// Write information for tallies
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write_attribute(tallies_group, "n_tallies", model::tallies.size());
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if (!model::tallies.empty()) {
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// Write tally IDs
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std::vector<int32_t> tally_ids;
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tally_ids.reserve(model::tallies.size());
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for (const auto& tally : model::tallies)
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tally_ids.push_back(tally->id_);
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write_attribute(tallies_group, "ids", tally_ids);
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// Write all tally information except results
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//TODO: use these two lines when openmc_get_n_realizations isn't needed
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//for (const auto& tally_ptr : model::tallies) {
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// const auto& tally {*tally_ptr};
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for (auto i_tally = 0; i_tally < model::tallies.size(); ++i_tally) {
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const auto& tally {*model::tallies[i_tally]};
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hid_t tally_group = create_group(tallies_group,
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"tally " + std::to_string(tally.id_));
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write_dataset(tally_group, "name", tally.name_);
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if (tally.estimator_ == ESTIMATOR_ANALOG) {
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write_dataset(tally_group, "estimator", "analog");
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} else if (tally.estimator_ == ESTIMATOR_TRACKLENGTH) {
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write_dataset(tally_group, "estimator", "tracklength");
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} else if (tally.estimator_ == ESTIMATOR_COLLISION) {
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write_dataset(tally_group, "estimator", "collision");
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}
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// TODO: get this directly from the tally object when it's moved to C++
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int32_t n_realizations;
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auto err = openmc_tally_get_n_realizations(i_tally+1, &n_realizations);
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write_dataset(tally_group, "n_realizations", n_realizations);
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// Write the ID of each filter attached to this tally
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write_dataset(tally_group, "n_filters", tally.filters().size());
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if (!tally.filters().empty()) {
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std::vector<int32_t> filter_ids;
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filter_ids.reserve(tally.filters().size());
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for (auto i_filt : tally.filters())
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filter_ids.push_back(model::tally_filters[i_filt]->id_);
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write_dataset(tally_group, "filters", filter_ids);
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}
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// Write the nuclides this tally scores
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std::vector<std::string> nuclides;
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for (auto i_nuclide : tally.nuclides_) {
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if (i_nuclide == -1) {
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nuclides.push_back("total");
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} else {
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if (settings::run_CE) {
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nuclides.push_back(data::nuclides[i_nuclide]->name_);
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} else {
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nuclides.push_back(data::nuclides_MG[i_nuclide].name);
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}
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}
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}
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write_dataset(tally_group, "nuclides", nuclides);
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if (tally.deriv_ != C_NONE) write_dataset(tally_group, "derivative",
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model::tally_derivs[tally.deriv_].id);
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// Write the tally score bins
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std::vector<std::string> scores;
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for (auto sc : tally.scores_) scores.push_back(reaction_name(sc));
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write_dataset(tally_group, "n_score_bins", scores.size());
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write_dataset(tally_group, "score_bins", scores);
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close_group(tally_group);
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}
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}
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close_group(tallies_group);
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statepoint_write_f(file_id);
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}
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// Check for the no-tally-reduction method
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