mirror of
https://github.com/openmc-dev/openmc.git
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Expanded HDF5 output to include geometry and materials.
This commit is contained in:
Paul Romano
parent
a86397d08a
commit
f92bdee1b7
2 changed files with 340 additions and 67 deletions
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@ -74,7 +74,10 @@ global.o: tally_header.o
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global.o: timing.o
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hdf5_interface.o: constants.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: string.o
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initialize.o: ace.o
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initialize.o: bank_header.o
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@ -1,7 +1,10 @@
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module hdf5_interface
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use constants
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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 string, only: to_str
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#ifdef HDF5
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use hdf5
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@ -36,30 +39,24 @@ contains
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subroutine hdf5_write_header()
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integer :: rank = 1
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integer(HSIZE_T) :: dims(1) = (/1/)
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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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character(8) :: date_
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character(10) :: time_
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character(19) :: current_time
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! Write version information
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call h5ltmake_dataset_int_f(hdf5_output_file, "version_major", &
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rank, dims, (/ VERSION_MAJOR /), hdf5_err)
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call h5ltmake_dataset_int_f(hdf5_output_file, "version_minor", &
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rank, dims, (/ VERSION_MINOR /), hdf5_err)
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call h5ltmake_dataset_int_f(hdf5_output_file, "version_release", &
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rank, dims, (/ VERSION_RELEASE /), hdf5_err)
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call hdf5_make_integer(hdf5_output_file, "version_major", VERSION_MAJOR)
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call hdf5_make_integer(hdf5_output_file, "version_minor", VERSION_MINOR)
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call hdf5_make_integer(hdf5_output_file, "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_output_file, "/date_and_time", &
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call h5ltmake_dataset_string_f(hdf5_output_file, "date_and_time", &
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current_time, hdf5_err)
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! Write MPI information
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call h5ltmake_dataset_int_f(hdf5_output_file, "n_procs", &
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rank, dims, (/ n_procs /), hdf5_err)
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call hdf5_make_integer(hdf5_output_file, "n_procs", n_procs)
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call h5ltset_attribute_string_f(hdf5_output_file, "n_procs", &
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"description", "Number of MPI processes", hdf5_err)
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@ -71,23 +68,16 @@ contains
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subroutine hdf5_write_summary()
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integer :: rank = 1
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integer(HSIZE_T) :: dims(1) = (/1/)
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! Write criticality information
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if (problem_type == PROB_CRITICALITY) then
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! Need to write integer(8)'s using double instead since there is no H5LT
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! call for making a dataset of type long
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call h5ltmake_dataset_double_f(hdf5_output_file, "n_particles", &
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rank, dims, (/ real(n_particles,8) /), hdf5_err)
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call hdf5_make_double(hdf5_output_file, "n_particles", real(n_particles,8))
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! Use H5LT interface to write n_cycles, n_inactive, and n_active
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call h5ltmake_dataset_int_f(hdf5_output_file, "n_cycles", &
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rank, dims, (/ n_cycles /), hdf5_err)
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call h5ltmake_dataset_int_f(hdf5_output_file, "n_inactive", &
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rank, dims, (/ n_inactive /), hdf5_err)
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call h5ltmake_dataset_int_f(hdf5_output_file, "n_active", &
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rank, dims, (/ n_cycles - n_inactive /), hdf5_err)
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call hdf5_make_integer(hdf5_output_file, "n_cycles", n_cycles)
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call hdf5_make_integer(hdf5_output_file, "n_inactive", n_inactive)
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call hdf5_make_integer(hdf5_output_file, "n_active", n_cycles - n_inactive)
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! Add description of each variable
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call h5ltset_attribute_string_f(hdf5_output_file, "n_particles", &
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@ -111,22 +101,232 @@ contains
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subroutine hdf5_write_geometry()
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integer :: rank = 1
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integer(HSIZE_T) :: dims(1) = (/1/)
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integer :: i, j, k
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integer(HSIZE_T) :: dims(1)
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integer(HSIZE_T) :: dims2(2)
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integer(HID_T) :: geometry_group
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integer(HID_T) :: cell_group
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integer(HID_T) :: surface_group
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integer(HID_T) :: universe_group
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integer(HID_T) :: lattice_group
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integer(HID_T) :: temp_group
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integer, allocatable :: lattice_universes(:,:)
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type(Cell), pointer :: c => null()
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type(Surface), pointer :: s => null()
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type(Universe), pointer :: u => null()
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type(Lattice), pointer :: l => null()
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! Create group for geometry
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call h5gcreate_f(hdf5_output_file, "/geometry", geometry_group, hdf5_err)
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! Use H5LT interface to write number of geometry objects
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call h5ltmake_dataset_int_f(geometry_group, "n_cells", &
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rank, dims, (/ n_cells /), hdf5_err)
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call h5ltmake_dataset_int_f(geometry_group, "n_surfaces", &
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rank, dims, (/ n_surfaces /), hdf5_err)
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call h5ltmake_dataset_int_f(geometry_group, "n_universes", &
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rank, dims, (/ n_universes /), hdf5_err)
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call h5ltmake_dataset_int_f(geometry_group, "n_lattices", &
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rank, dims, (/ n_lattices /), hdf5_err)
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call hdf5_make_integer(geometry_group, "n_cells", n_cells)
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call hdf5_make_integer(geometry_group, "n_surfaces", n_surfaces)
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call hdf5_make_integer(geometry_group, "n_universes", n_universes)
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call hdf5_make_integer(geometry_group, "n_lattices", n_lattices)
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! ==========================================================================
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! WRITE INFORMATION ON CELLS
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call h5gcreate_f(geometry_group, "cells", cell_group, hdf5_err)
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! Write information on each cell
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do i = 1, n_cells
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c => cells(i)
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! Create group for i-th cell
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call h5gcreate_f(cell_group, "cell " // trim(to_str(c % id)), &
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temp_group, hdf5_err)
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! Write universe for this cell
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call hdf5_make_integer(temp_group, "universe", &
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universes(c % universe) % id)
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! Write information on what fills this cell
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select case (c % type)
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case (CELL_NORMAL)
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call h5ltmake_dataset_string_f(temp_group, "fill_type", "normal", &
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hdf5_err)
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call hdf5_make_integer(temp_group, "material", &
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materials(c % material) % id)
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case (CELL_FILL)
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call h5ltmake_dataset_string_f(temp_group, "fill_type", "universe", &
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hdf5_err)
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call hdf5_make_integer(temp_group, "material", &
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universes(c % fill) % id)
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case (CELL_LATTICE)
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call h5ltmake_dataset_string_f(temp_group, "fill_type", "lattice", &
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hdf5_err)
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call hdf5_make_integer(temp_group, "lattice", &
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lattices(c % fill) % id)
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end select
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! Write list of bounding surfaces
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if (c % n_surfaces > 0) then
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dims(1) = c % n_surfaces
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call h5ltmake_dataset_int_f(temp_group, "surfaces", 1, &
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dims, c % surfaces, hdf5_err)
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end if
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! Close group for i-th cell
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call h5gclose_f(temp_group, hdf5_err)
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end do
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call h5gclose_f(cell_group, hdf5_err)
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! ==========================================================================
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! WRITE INFORMATION ON SURFACES
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call h5gcreate_f(geometry_group, "surfaces", surface_group, hdf5_err)
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! Write information on each surface
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do i = 1, n_surfaces
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s => surfaces(i)
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! Create group for i-th surface
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call h5gcreate_f(surface_group, "surface " // trim(to_str(s % id)), &
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temp_group, hdf5_err)
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! Write surface type
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select case (s % type)
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case (SURF_PX)
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call h5ltmake_dataset_string_f(temp_group, "type", "X Plane", hdf5_err)
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case (SURF_PY)
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call h5ltmake_dataset_string_f(temp_group, "type", "Y Plane", hdf5_err)
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case (SURF_PZ)
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call h5ltmake_dataset_string_f(temp_group, "type", "Z Plane", hdf5_err)
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case (SURF_PLANE)
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call h5ltmake_dataset_string_f(temp_group, "type", "Plane", hdf5_err)
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case (SURF_CYL_X)
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call h5ltmake_dataset_string_f(temp_group, "type", "X Cylinder", hdf5_err)
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case (SURF_CYL_Y)
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call h5ltmake_dataset_string_f(temp_group, "type", "Y Cylinder", hdf5_err)
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case (SURF_CYL_Z)
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call h5ltmake_dataset_string_f(temp_group, "type", "Z Cylinder", hdf5_err)
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case (SURF_SPHERE)
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call h5ltmake_dataset_string_f(temp_group, "type", "Sphere", hdf5_err)
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case (SURF_BOX_X)
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case (SURF_BOX_Y)
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case (SURF_BOX_Z)
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case (SURF_BOX)
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case (SURF_GQ)
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call h5ltmake_dataset_string_f(temp_group, "type", "General Quadratic", hdf5_err)
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end select
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! Write coefficients for surface
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dims(1) = size(s % coeffs)
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call h5ltmake_dataset_double_f(temp_group, "coefficients", 1, dims, &
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s % coeffs, hdf5_err)
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! Write positive neighbors
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if (allocated(s % neighbor_pos)) then
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dims(1) = size(s % neighbor_pos)
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call h5ltmake_dataset_int_f(temp_group, "neighbors_positive", 1, dims, &
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s % neighbor_pos, hdf5_err)
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end if
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! Write negative neighbors
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if (allocated(s % neighbor_neg)) then
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dims(1) = size(s % neighbor_neg)
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call h5ltmake_dataset_int_f(temp_group, "neighbors_negative", 1, dims, &
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s % neighbor_neg, hdf5_err)
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end if
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! Write boundary condition
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select case (s % bc)
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case (BC_TRANSMIT)
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call h5ltmake_dataset_string_f(temp_group, "boundary_condition", &
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"transmission", hdf5_err)
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case (BC_VACUUM)
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call h5ltmake_dataset_string_f(temp_group, "boundary_condition", &
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"vacuum", hdf5_err)
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case (BC_REFLECT)
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call h5ltmake_dataset_string_f(temp_group, "boundary_condition", &
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"reflective", hdf5_err)
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case (BC_PERIODIC)
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call h5ltmake_dataset_string_f(temp_group, "boundary_condition", &
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"periodic", hdf5_err)
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end select
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! Close group for i-th surface
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call h5gclose_f(temp_group, hdf5_err)
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end do
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call h5gclose_f(surface_group, hdf5_err)
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! ==========================================================================
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! WRITE INFORMATION ON UNIVERSES
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call h5gcreate_f(geometry_group, "universes", universe_group, hdf5_err)
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! Write information on each universe
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do i = 1, n_universes
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u => universes(i)
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! Create group for i-th universe
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call h5gcreate_f(universe_group, "universe " // trim(to_str(u % id)), &
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temp_group, hdf5_err)
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! Write list of cells in this universe
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if (u % n_cells > 0) then
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dims(1) = u % n_cells
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call h5ltmake_dataset_int_f(temp_group, "cells", 1, dims, &
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u % cells, hdf5_err)
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end if
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! Close group for i-th universe
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call h5gclose_f(temp_group, hdf5_err)
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end do
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call h5gclose_f(universe_group, hdf5_err)
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! ==========================================================================
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! WRITE INFORMATION ON LATTICES
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call h5gcreate_f(geometry_group, "lattices", lattice_group, hdf5_err)
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! Write information on each lattice
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do i = 1, n_lattices
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l => lattices(i)
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! Create group for i-th lattice
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call h5gcreate_f(lattice_group, "lattice " // trim(to_str(l % id)), &
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temp_group, hdf5_err)
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! Write lattice type
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select case(l % type)
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case (LATTICE_RECT)
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call h5ltmake_dataset_string_f(temp_group, "type", "rectangular", hdf5_err)
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case (LATTICE_HEX)
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call h5ltmake_dataset_string_f(temp_group, "type", "hexagonal", hdf5_err)
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end select
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! Write lattice dimensions, lower left corner, and width of element
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dims(1) = 2
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call h5ltmake_dataset_int_f(temp_group, "n_elements", 1, dims, &
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(/ l % n_x, l % n_y /), hdf5_err)
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call h5ltmake_dataset_double_f(temp_group, "lower_left", 1, dims, &
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(/ l % x0, l % y0 /), hdf5_err)
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call h5ltmake_dataset_double_f(temp_group, "element_width", 1, dims, &
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(/ l % width_x, l % width_y /), hdf5_err)
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! Write lattice elements
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allocate(lattice_universes(l % n_x, l % n_y))
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do j = 1, l % n_x
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do k = 1, l % n_y
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lattice_universes(j,k) = universes(l % element(j,k)) % id
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end do
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end do
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dims2 = (/ l % n_x, l % n_y /)
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call h5ltmake_dataset_int_f(temp_group, "elements", 2, dims2, &
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lattice_universes, hdf5_err)
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deallocate(lattice_universes)
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! Close group for i-th lattice
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call h5gclose_f(temp_group, hdf5_err)
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end do
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call h5gclose_f(lattice_group, hdf5_err)
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! Close geometry group
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call h5gclose_f(geometry_group, hdf5_err)
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@ -139,16 +339,65 @@ contains
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subroutine hdf5_write_materials()
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integer :: rank = 1
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integer(HSIZE_T) :: dims(1) = (/1/)
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integer :: i
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integer(HSIZE_T) :: dims(1)
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integer(HSIZE_T) :: size_string = 12
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integer(HID_T) :: materials_group
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integer(HID_T) :: temp_group
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integer(HID_T) :: string_type
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integer(HID_T) :: dspace_id
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integer(HID_T) :: dset_id
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type(Material), pointer :: m => null()
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! Create group for materials
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call h5gcreate_f(hdf5_output_file, "/materials", materials_group, hdf5_err)
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! Use H5LT interface to write number of materials
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call h5ltmake_dataset_int_f(materials_group, "n_materials", &
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rank, dims, (/ n_materials /), hdf5_err)
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call hdf5_make_integer(materials_group, "n_materials", n_materials)
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! Write information on each material
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do i = 1, n_materials
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m => materials(i)
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! Create group for i-th universe
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call h5gcreate_f(materials_group, "material " // trim(to_str(m % id)), &
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temp_group, hdf5_err)
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! Write atom density with units
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call hdf5_make_double(temp_group, "atom_density", m % density)
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call h5ltset_attribute_string_f(temp_group, "atom_density", &
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"units", "atom/barn-cm", hdf5_err)
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! Create string type of length 12
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call h5tcopy_f(H5T_C_S1, string_type, hdf5_err)
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call h5tset_size_f(string_type, size_string, hdf5_err)
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! Create dataspace and dataset for writing nuclides
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dims(1) = m % n_nuclides
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call h5screate_simple_f(1, dims, dspace_id, hdf5_err)
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call h5dcreate_f(temp_group, "nuclides", string_type, dspace_id, &
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dset_id, hdf5_err)
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! Write list of nuclides
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call h5dwrite_f(dset_id, string_type, m % names, dims, hdf5_err)
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! Close dataspace and dataset for nuclides
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call h5dclose_f(dset_id, hdf5_err)
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call h5sclose_f(dspace_id, hdf5_err)
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! Write atom densities
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call h5ltmake_dataset_double_f(temp_group, "nuclide_densities", 1, &
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dims, m % atom_density, hdf5_err)
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! Write S(a,b) information if present
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if (m % has_sab_table) then
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call h5ltmake_dataset_string_f(temp_group, "sab_table", &
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m % sab_name, hdf5_err)
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end if
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! Close group for i-th material
|
||||
call h5gclose_f(temp_group, hdf5_err)
|
||||
end do
|
||||
|
||||
! Close materials group
|
||||
call h5gclose_f(materials_group, hdf5_err)
|
||||
|
|
@ -161,8 +410,6 @@ contains
|
|||
|
||||
subroutine hdf5_write_timing()
|
||||
|
||||
integer :: rank = 1
|
||||
integer(HSIZE_T) :: dims(1) = (/1/)
|
||||
integer(HID_T) :: timing_group
|
||||
integer(8) :: total_particles
|
||||
real(8) :: speed
|
||||
|
|
@ -171,30 +418,18 @@ contains
|
|||
call h5gcreate_f(hdf5_output_file, "/timing", timing_group, hdf5_err)
|
||||
|
||||
! Write timing data
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_initialize", &
|
||||
rank, dims, (/ time_initialize % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_read_xs", &
|
||||
rank, dims, (/ time_read_xs % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_unionize", &
|
||||
rank, dims, (/ time_unionize % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_compute", &
|
||||
rank, dims, (/ time_compute % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_intercycle", &
|
||||
rank, dims, (/ time_intercycle % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_tallies", &
|
||||
rank, dims, (/ time_ic_tallies % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_sample", &
|
||||
rank, dims, (/ time_ic_sample % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_sendrecv", &
|
||||
rank, dims, (/ time_ic_sendrecv % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_rebuild", &
|
||||
rank, dims, (/ time_ic_rebuild % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_inactive", &
|
||||
rank, dims, (/ time_inactive % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_active", &
|
||||
rank, dims, (/ time_active % elapsed /), hdf5_err)
|
||||
call h5ltmake_dataset_double_f(timing_group, "time_total", &
|
||||
rank, dims, (/ time_total % elapsed /), hdf5_err)
|
||||
call hdf5_make_double(timing_group, "time_initialize", time_initialize % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_read_xs", time_read_xs % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_unionize", time_unionize % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_compute", time_compute % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_intercycle", time_intercycle % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_tallies", time_ic_tallies % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_sample", time_ic_sample % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_sendrecv", time_ic_sendrecv % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_rebuild", time_ic_rebuild % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_inactive", time_inactive % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_active", time_active % elapsed)
|
||||
call hdf5_make_double(timing_group, "time_total", time_total % elapsed)
|
||||
|
||||
! Add descriptions to timing data
|
||||
call h5ltset_attribute_string_f(timing_group, "time_initialize", &
|
||||
|
|
@ -225,8 +460,7 @@ contains
|
|||
! Write calculation rate
|
||||
total_particles = n_particles * n_cycles
|
||||
speed = real(total_particles) / time_compute % elapsed
|
||||
call h5ltmake_dataset_double_f(timing_group, "neutrons_per_second", &
|
||||
rank, dims, (/ speed /), hdf5_err)
|
||||
call hdf5_make_double(timing_group, "neutrons_per_second", speed)
|
||||
|
||||
! Close timing group
|
||||
call h5gclose_f(timing_group, hdf5_err)
|
||||
|
|
@ -247,6 +481,42 @@ contains
|
|||
|
||||
end subroutine hdf5_close_output
|
||||
|
||||
!===============================================================================
|
||||
! HDF5_MAKE_INTEGER
|
||||
!===============================================================================
|
||||
|
||||
subroutine hdf5_make_integer(group, name, buffer)
|
||||
|
||||
integer(HID_T), intent(in) :: group
|
||||
character(*), intent(in) :: name
|
||||
integer, intent(in) :: buffer
|
||||
|
||||
integer :: rank = 1
|
||||
integer(HSIZE_T) :: dims(1) = (/1/)
|
||||
|
||||
call h5ltmake_dataset_int_f(group, name, rank, dims, &
|
||||
(/ buffer /), hdf5_err)
|
||||
|
||||
end subroutine hdf5_make_integer
|
||||
|
||||
!===============================================================================
|
||||
! HDF5_MAKE_DOUBLE
|
||||
!===============================================================================
|
||||
|
||||
subroutine hdf5_make_double(group, name, buffer)
|
||||
|
||||
integer(HID_T), intent(in) :: group
|
||||
character(*), intent(in) :: name
|
||||
real(8), intent(in) :: buffer
|
||||
|
||||
integer :: rank = 1
|
||||
integer(HSIZE_T) :: dims(1) = (/1/)
|
||||
|
||||
call h5ltmake_dataset_double_f(group, name, rank, dims, &
|
||||
(/ buffer /), hdf5_err)
|
||||
|
||||
end subroutine hdf5_make_double
|
||||
|
||||
#endif
|
||||
|
||||
end module hdf5_interface
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue