From a6dcb0bfda10be6b933915662f63d43df48f56b7 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 28 Jul 2025 16:54:58 +0100 Subject: [PATCH 001/169] Initial commit for PhotonSharingData class, to help enable inter process communication of photon spectra --- include/utils/PhotonSharingData.h | 85 +++++++++++++++++++++++++++++++ 1 file changed, 85 insertions(+) create mode 100644 include/utils/PhotonSharingData.h diff --git a/include/utils/PhotonSharingData.h b/include/utils/PhotonSharingData.h new file mode 100644 index 0000000..26a4647 --- /dev/null +++ b/include/utils/PhotonSharingData.h @@ -0,0 +1,85 @@ +#ifndef PHOTON_SHARING_DATA_H +#define PHOTON_SHARING_DATA_H + +#include "boost/interprocess/containers/map.hpp" +#include "boost/interprocess/containers/vector.hpp" +#include "boost/interprocess/managed_shared_memory.hpp" +#include "boost/interprocess/shared_memory_object.hpp" + +#include +#include +#include +#include +#include + +namespace bi = boost::interprocess; +typedef boost::interprocess::allocator< + double, boost::interprocess::managed_shared_memory::segment_manager> + ShmemVecAllocator; + +typedef boost::interprocess::vector BoostIpVector; + +typedef boost::interprocess::allocator< + std::pair, + bi::managed_shared_memory::segment_manager> + ShmemIntVecMapAllocator; + +typedef bi::map, ShmemIntVecMapAllocator> + BoostIpIntVecMap; + +typedef boost::interprocess::allocator< + std::pair, bi::managed_shared_memory::segment_manager> + ShmemIntDoubMapAllocator; + +typedef bi::map, ShmemIntDoubMapAllocator> + BoostIpIntDoubMap; + +class PhotonSharingData { +public: + PhotonSharingData(bi::managed_shared_memory &segment, + std::unordered_map> &photon_flux, + std::unordered_map &elem_strength, + int num_energy_bins, int num_local_elems, + double total_domain_strength, double local_domain_strength) + : _num_energy_bins(num_energy_bins), _num_local_elems(num_local_elems), + _local_domain_strength(local_domain_strength), + _total_domain_strength(total_domain_strength), _communication(true), + _vec_alloc(segment.get_segment_manager()), + _int_vec_map_alloc(segment.get_segment_manager()), + _int_doub_map_alloc(segment.get_segment_manager()), + _photon_fluxes(_int_vec_map_alloc), + _elem_strength(_int_doub_map_alloc) { + + // Initialise shared memory _photon_flux map with values from + // FispactProblem's _photon_fluxes + for (auto &pair : photon_flux) { + + _photon_fluxes.insert(std::pair( + pair.first, + BoostIpVector(pair.second.begin(), pair.second.end(), _vec_alloc))); + } + + // Do the same for elem_strength map + for (auto &pair : elem_strength) { + + _elem_strength.insert(std::pair(pair.first, pair.second)); + } + } + + int _num_energy_bins; + int _num_local_elems; + double _local_domain_strength; + double _total_domain_strength; + + bool _communication; + + // Allocators + ShmemVecAllocator _vec_alloc; + ShmemIntVecMapAllocator _int_vec_map_alloc; + ShmemIntDoubMapAllocator _int_doub_map_alloc; + + BoostIpIntVecMap _photon_fluxes; + BoostIpIntDoubMap _elem_strength; +}; + +#endif From b057d07b9d9c6531e96541a80ab9fc0b9442a1d4 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 28 Jul 2025 16:55:29 +0100 Subject: [PATCH 002/169] Initial support for inter process communication of photon spectra in FispactProblem --- include/problems/FispactProblem.h | 19 ++++++- src/problems/FispactProblem.C | 88 +++++++++++++++++++++++++++++-- 2 files changed, 103 insertions(+), 4 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 124da28..29c7a3b 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -9,8 +9,10 @@ #include "fispactnucleardata.hpp" #include "fispactoutputdata.hpp" #include "fispactutil.hpp" +#include "libmesh/elem.h" #include #include +#include // Use fp as short for fispact namespace fp = fispact; @@ -89,6 +91,14 @@ class FispactProblem : public ExternalProblem { const std::vector &photon_flux_bins, std::vector &photons_per_cc_per_s); + double calculateElementStrength(const libMesh::Elem *element, + const std::vector element_flux); + + void insertElementStrength(const libMesh::Elem *element, + const std::vector element_flux); + + void updateLocalDomainStrength(const libMesh::Elem *element); + void printInventoryByHeat(fp::OutputData &output, int timestep_index, std::ostream &stream = std::cout); @@ -97,6 +107,8 @@ class FispactProblem : public ExternalProblem { void printInvData(fp::OutputData &output, std::ostream &stream); + void getTotalDomainStrength(); + double extractHalflifeFromNuc(fp::NuclearData &nuclear_data, int zai); bool isFlux(int elem_id); @@ -113,6 +125,8 @@ class FispactProblem : public ExternalProblem { // FISPACT Photon fluxes std::unordered_map> _photon_fluxes; + std::unordered_map _element_strengths; + /// hdf5 filename for neutron flux std::string _neutron_flux_filename; @@ -122,6 +136,7 @@ class FispactProblem : public ExternalProblem { /// hdf5 filename for photon flux std::string _photon_flux_filename; + void setNeutronBins(); /// bool _materials_from_xml; @@ -146,5 +161,7 @@ class FispactProblem : public ExternalProblem { std::string _schedule_uo_name; - void setNeutronBins(); + double _local_domain_strength; + + double _total_domain_strength; }; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 5ab610a..643b44c 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -2,6 +2,9 @@ #include "FispactProblem.h" #include "FispactSchedule.h" + +#include "PhotonSharingData.h" + /// HDF5 include #include "H5Cpp.h" @@ -16,6 +19,7 @@ #include "fispactoutputdata.hpp" #include "fispactoutputdataapi.h" #include "fispactutil.hpp" +#include "libmesh/elem.h" #include "mpi.h" #include "pugixml.hpp" #include @@ -32,6 +36,7 @@ #include #include #include +#include #include #include #include @@ -105,7 +110,8 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _photon_flux_filename(getParam("photon_spectra_filename")), _materials_from_xml(getParam("read_materials_from_xml")), _neutron_bin_type(getParam("neutron_bin_type")), - _schedule_uo_name(getParam("fispact_schedule_uo")) { + _schedule_uo_name(getParam("fispact_schedule_uo")), + _local_domain_strength(0), _total_domain_strength(0) { _console << "Constructor" << std::endl; // Load materials from xml file @@ -145,6 +151,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) void FispactProblem::syncSolutions(ExternalProblem::Direction direction) {} void FispactProblem::externalSolve() { + // Set up fispact input data fp::InputData fispact_input(_fp_monitor); fp::OutputData fispact_output(_fp_monitor); @@ -155,7 +162,7 @@ void FispactProblem::externalSolve() { _console << "starting " + std::to_string(counter) << std::endl; // Get element id - int elem_id = (element_iter)->id(); + int elem_id = element_iter->id(); _console << "Elem ID" << std::to_string(elem_id) << std::endl; std::vector photon_spectra(24, 0); @@ -164,7 +171,7 @@ void FispactProblem::externalSolve() { // If there is flux in the element, run FISPACT if (is_flux) { - // Here we are assuming the input mesh is in centremeters + // Here we are assuming the input mesh is in centimeters double element_volume = (element_iter)->volume(); // Get element material definition @@ -189,11 +196,46 @@ void FispactProblem::externalSolve() { _photon_fluxes.insert( std::pair>(elem_id, photon_spectra)); + // Calculate photon source strength of this element and insert it into + // _element_strengths map + insertElementStrength(element_iter, _photon_fluxes.at(elem_id)); + + // Add calculated element strength to _local_domain_strength + updateLocalDomainStrength(element_iter); + // Output how many elements have been checked _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() << std::endl; } + // Need some boost macros here to decide whether or not this path should run + { + // Use namespace alias for ease + namespace bi = boost::interprocess; + + // Give the shared memory region a name based on current MPI rank to prevent + // clashes + std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); + + // Remove any shared memory region with a similar name just in case + bi::shared_memory_object::remove(data_name.c_str()); + + // Create shared memory region + bi::managed_shared_memory segment(bi::create_only, data_name.c_str(), + 10000); + + // Create a shared instantiation of the photon sharing class + PhotonSharingData *photon_sharing_instance = + segment.construct( + "PhotonSharingData photon_sharing_instance")( + segment, _photon_fluxes, _element_strengths, 24, + (int)_mesh.getMesh().n_active_local_elem(), _total_domain_strength, + _local_domain_strength); + + // Remove shared memory region + bi::shared_memory_object::remove(data_name.c_str()); + } + writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); fp::GlobalFinalise(_fp_monitor); _console << "Externally Solved" << std::endl; @@ -605,6 +647,46 @@ void FispactProblem::convertGammaEvToCount( } } +double FispactProblem::calculateElementStrength( + const libMesh::Elem *element, const std::vector element_flux) { + double element_strength = 0; + + for (double flux_bin : element_flux) { + element_strength += flux_bin * element->volume(); + } + + return element_strength; +} + +void FispactProblem::insertElementStrength( + const libMesh::Elem *element, const std::vector element_flux) { + double elem_strength = calculateElementStrength(element, element_flux); + + _element_strengths.insert( + std::pair(element->id(), elem_strength)); +} + +void FispactProblem::updateLocalDomainStrength(const libMesh::Elem *element) { + double element_strength; + + // Attempt to retrieve element strength from map, otherwise catch exception + // and give a useful error + try { + element_strength = _element_strengths.at(element->id()); + } catch (std::out_of_range) { + mooseError("Attempted to access element strength for an element ID that " + "has not had strength calcalculated"); + } + + _local_domain_strength += element_strength; +} + +void FispactProblem::getTotalDomainStrength() { + + _total_domain_strength = _local_domain_strength; + comm().sum(_total_domain_strength); +} + // double FispactProblem::extractHalflifeFromNuc(fp::NuclearData // &nuclear_data, // int zai) { From adbfbf3c337a35c75134f65d0d4e2ded249a1e5f Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 21 Aug 2025 13:18:47 +0100 Subject: [PATCH 003/169] cleaned up header includes --- src/problems/FispactProblem.C | 29 +++++++++++++++++++---------- 1 file changed, 19 insertions(+), 10 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 643b44c..3256316 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -1,16 +1,29 @@ #include "ExternalProblem.h" #include "FispactProblem.h" +// Custom user object includes #include "FispactSchedule.h" +// Include for interprocess communication data structure +#include "Moose.h" #include "PhotonSharingData.h" /// HDF5 include #include "H5Cpp.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include -/// PugiXML include #include "MooseError.h" #include "MooseTypes.h" + +// Fispact includes #include "fispactcompute.hpp" #include "fispactconstantsapi.h" #include "fispactgroupstructures.hpp" @@ -19,20 +32,16 @@ #include "fispactoutputdata.hpp" #include "fispactoutputdataapi.h" #include "fispactutil.hpp" + #include "libmesh/elem.h" #include "mpi.h" + +/// PugiXML include #include "pugixml.hpp" + +// Cpp includes #include #include -#include -#include -#include -#include -#include -#include -#include -#include -#include #include #include #include From b16c1fa763c80432a41470e5f40e054fab1b2945 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 21 Aug 2025 13:22:53 +0100 Subject: [PATCH 004/169] Moved bulk of interprocess communication to SyncSolutions method --- include/problems/FispactProblem.h | 2 + include/utils/PhotonSharingData.h | 25 +++++++-- src/problems/FispactProblem.C | 91 +++++++++++++++++++++---------- 3 files changed, 84 insertions(+), 34 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 29c7a3b..6ecd874 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -99,6 +99,8 @@ class FispactProblem : public ExternalProblem { void updateLocalDomainStrength(const libMesh::Elem *element); + int calculateMemorySize(); + void printInventoryByHeat(fp::OutputData &output, int timestep_index, std::ostream &stream = std::cout); diff --git a/include/utils/PhotonSharingData.h b/include/utils/PhotonSharingData.h index 26a4647..96a9fee 100644 --- a/include/utils/PhotonSharingData.h +++ b/include/utils/PhotonSharingData.h @@ -39,16 +39,18 @@ class PhotonSharingData { PhotonSharingData(bi::managed_shared_memory &segment, std::unordered_map> &photon_flux, std::unordered_map &elem_strength, - int num_energy_bins, int num_local_elems, - double total_domain_strength, double local_domain_strength) - : _num_energy_bins(num_energy_bins), _num_local_elems(num_local_elems), + int num_photon_bins, int num_local_elems, + double total_domain_strength, double local_domain_strength, + std::vector local_domain_strengths, + std::vector photon_bins) + : _num_photon_bins(num_photon_bins), _num_local_elems(num_local_elems), _local_domain_strength(local_domain_strength), _total_domain_strength(total_domain_strength), _communication(true), _vec_alloc(segment.get_segment_manager()), _int_vec_map_alloc(segment.get_segment_manager()), _int_doub_map_alloc(segment.get_segment_manager()), - _photon_fluxes(_int_vec_map_alloc), - _elem_strength(_int_doub_map_alloc) { + _photon_fluxes(_int_vec_map_alloc), _elem_strength(_int_doub_map_alloc), + _domain_strengths(_vec_alloc), _photon_bins(_vec_alloc) { // Initialise shared memory _photon_flux map with values from // FispactProblem's _photon_fluxes @@ -64,9 +66,18 @@ class PhotonSharingData { _elem_strength.insert(std::pair(pair.first, pair.second)); } + + for (auto &strength : local_domain_strengths) { + + _domain_strengths.push_back(strength); + } + + for (auto &bin : photon_bins) { + _photon_bins.push_back(bin); + } } - int _num_energy_bins; + int _num_photon_bins; int _num_local_elems; double _local_domain_strength; double _total_domain_strength; @@ -80,6 +91,8 @@ class PhotonSharingData { BoostIpIntVecMap _photon_fluxes; BoostIpIntDoubMap _elem_strength; + BoostIpVector _domain_strengths; + BoostIpVector _photon_bins; }; #endif diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 3256316..55aef1b 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -157,7 +157,48 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _console << _neutron_fluxes.size() << std::endl; } -void FispactProblem::syncSolutions(ExternalProblem::Direction direction) {} +void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { + if (direction == ExternalProblem::Direction::FROM_EXTERNAL_APP) { + +#ifdef LIBMESH_HAVE_BOOST + { + // vector of all local domain strengths + std::vector local_domain_strengths; + comm().allgather(_local_domain_strength, local_domain_strengths); + + // calculate TotalDomainStrength + getTotalDomainStrength(); + + // + unsigned long shared_memory_size = calculateMemorySize(); + // Use namespace alias for ease + namespace bi = boost::interprocess; + + // Give the shared memory region a name based on current MPI rank to + // prevent clashes + std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); + + // Remove any shared memory region with a similar name just in case + bi::shared_memory_object::remove(data_name.c_str()); + + // Calculate space needed for shared mem region + + // Create shared memory region + bi::managed_shared_memory segment(bi::create_only, data_name.c_str(), + shared_memory_size); + + // Create a shared instantiation of the photon sharing class + PhotonSharingData *photon_sharing_instance = + segment.construct( + "PhotonSharingData photon_sharing_instance")( + segment, _photon_fluxes, _element_strengths, 24, + (int)_mesh.getMesh().n_active_local_elem(), + _total_domain_strength, _local_domain_strength, + local_domain_strengths, _photon_bins); + } +#endif + } +} void FispactProblem::externalSolve() { @@ -216,33 +257,9 @@ void FispactProblem::externalSolve() { _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() << std::endl; } - - // Need some boost macros here to decide whether or not this path should run - { - // Use namespace alias for ease - namespace bi = boost::interprocess; - - // Give the shared memory region a name based on current MPI rank to prevent - // clashes - std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - - // Remove any shared memory region with a similar name just in case - bi::shared_memory_object::remove(data_name.c_str()); - - // Create shared memory region - bi::managed_shared_memory segment(bi::create_only, data_name.c_str(), - 10000); - - // Create a shared instantiation of the photon sharing class - PhotonSharingData *photon_sharing_instance = - segment.construct( - "PhotonSharingData photon_sharing_instance")( - segment, _photon_fluxes, _element_strengths, 24, - (int)_mesh.getMesh().n_active_local_elem(), _total_domain_strength, - _local_domain_strength); - - // Remove shared memory region - bi::shared_memory_object::remove(data_name.c_str()); + _photon_bins = fispact_output.getGammaSpectrumBoundaries(0); + for (auto bin : _photon_bins) { + _console << bin << " "; } writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); @@ -696,6 +713,24 @@ void FispactProblem::getTotalDomainStrength() { comm().sum(_total_domain_strength); } +int FispactProblem::calculateMemorySize() { + // Get number of active local elements + int n_local_elem = _mesh.getMesh().n_active_local_elem(); + + unsigned long photon_flux_map_size = + ((24 * sizeof(double)) + sizeof(int)) * n_local_elem; + + unsigned long element_strengths_map_size = + (sizeof(int) + sizeof(double)) * n_local_elem; + + unsigned long memory_size = photon_flux_map_size + + element_strengths_map_size + (sizeof(int) * 2) + + (sizeof(double) * 2); + // Really naive way of doing this, but currently giving a 20% buffer to + // account for the memory space required by Boost allocators and such + return memory_size * 2; +} + // double FispactProblem::extractHalflifeFromNuc(fp::NuclearData // &nuclear_data, // int zai) { From 8c68223b17b4ecb604a301531d990f95a614b19d Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Sat, 26 Jul 2025 19:00:15 +0100 Subject: [PATCH 005/169] reordered offset and count instantiation in readNeutronFluxFromHDF5 --- src/problems/FispactProblem.C | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 55aef1b..7065a78 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -468,9 +468,9 @@ void FispactProblem::readNeutronFluxFromHDF5(std::string filename, std::vector neutron_flux_data(_num_neutron_bins, 0.0); // Set up counts and offsets for selecting hyperslab of tally array - hsize_t data_count[3] = {static_cast(_num_neutron_bins), 1, 1}; hsize_t data_offset[3] = {static_cast((_num_neutron_bins * i)), 0, 0}; + hsize_t data_count[3] = {static_cast(_num_neutron_bins), 1, 1}; // Set up memory space for reading tally results hsize_t arr_len[3] = {static_cast(_num_neutron_bins), 1, 1}; From 85b2899e040fcbc07e71bf9d81ade72f49b48c9b Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 21 Aug 2025 13:24:09 +0100 Subject: [PATCH 006/169] Changed fispact log naming scheme to include input file name --- src/problems/FispactProblem.C | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 7065a78..bb51edc 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -268,8 +268,9 @@ void FispactProblem::externalSolve() { } std::string FispactProblem::fispactLogName() { - std::string log_name = - "FISPACT_app_" + std::to_string(processor_id()) + ".log"; + std::string log_name = "FISPACT_app_" + + this->getMooseApp().getInputFileNames()[0] + + std::to_string(processor_id()) + ".log"; return log_name; } From 8ae01dbc3ec4e4d6623c44b7c3976a797daab8ef Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 21 Aug 2025 13:30:08 +0100 Subject: [PATCH 007/169] Moved Fispact include flags to EXTERNAL_FLAGS variable --- Makefile | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/Makefile b/Makefile index d15b0c9..29ced6d 100644 --- a/Makefile +++ b/Makefile @@ -101,3 +101,8 @@ ADDITIONAL_LIBS += $(CC_LINKER_SLFLAG)$(FISPACT_LIB_DIR) ADDITIONAL_CPPFLAGS += $(FISPACT_INCLUDES) ${PUGIXML_INCLUDES} +FIZZY_EXTERNAL_FLAGS = ${ADDITIONAL_LIBS} ${ADDITIONAL_CPPFLAGS} + +$(app_LIB): EXTERNAL_FLAGS := $(FIZZY_EXTERNAL_FLAGS) +$(app_test_LIB): EXTERNAL_FLAGS := $(FIZZY_EXTERNAL_FLAGS) +$(app_EXEC): EXTERNAL_FLAGS := $(FIZZY_EXTERNAL_FLAGS) From 18225f12efee98f53e95d89aee09ebed10c0e5c5 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 21 Aug 2025 14:07:23 +0100 Subject: [PATCH 008/169] Remove console message --- src/problems/FispactProblem.C | 1 - 1 file changed, 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index bb51edc..ac4e76b 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -264,7 +264,6 @@ void FispactProblem::externalSolve() { writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); fp::GlobalFinalise(_fp_monitor); - _console << "Externally Solved" << std::endl; } std::string FispactProblem::fispactLogName() { From eaa71d96e88ec01d1887fb6aa607d7f418328fed Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 22 Aug 2025 17:06:49 +0100 Subject: [PATCH 009/169] Added new paramters to FispactProblem to allow user to decide whether or not they want to use IPC --- include/problems/FispactProblem.h | 17 +++++ src/problems/FispactProblem.C | 119 +++++++++++++++++++----------- 2 files changed, 92 insertions(+), 44 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 6ecd874..1c87e2d 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -14,9 +14,16 @@ #include #include +// Include for interprocess communication data structure +#include "PhotonSharingData.h" + // Use fp as short for fispact namespace fp = fispact; +#ifdef LIBMESH_HAVE_BOOST +namespace bi = boost::interprocess; +#endif + class FispactProblem : public ExternalProblem { /// Struct to store Material definitions struct MaterialDefinition { @@ -115,6 +122,12 @@ class FispactProblem : public ExternalProblem { bool isFlux(int elem_id); + // -- Interprocess bits -- + +#ifdef LIBMESH_HAVE_BOOST + bi::managed_shared_memory _segment; +#endif + /// FISPACT monitor fp::FispactMonitor _fp_monitor; @@ -166,4 +179,8 @@ class FispactProblem : public ExternalProblem { double _local_domain_strength; double _total_domain_strength; + + bool _write_photon_flux; + + bool _comm_photon_flux; }; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index ac4e76b..dcc4f8d 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -4,10 +4,6 @@ // Custom user object includes #include "FispactSchedule.h" -// Include for interprocess communication data structure -#include "Moose.h" -#include "PhotonSharingData.h" - /// HDF5 include #include "H5Cpp.h" #include @@ -96,18 +92,28 @@ InputParameters FispactProblem::validParams() { "fispact_schedule_uo", "Name of the FispactSchedule user object defining " "the FISPACT flux schedule"); - params.addRequiredParam( - "photon_spectra_filename", - "Filename for the h5 file containing the output photon spectra"); - params.addParam( "read_materials_from_xml", false, "Parameter determining whether user wishes to read materaial nuclide " "compositions from openMC XML file"); + params.addParam( "materials_xml_file", "materials.xml", "Path and name of material xml file user wishes to use."); + params.addParam( + "write_photon_flux", false, + "Boolean value used to determine whether to wite photon spectra to hdf5 " + "after Fizzy has finished running."); + + params.addParam( + "photon_flux_filename", "photon_flux.h5", + "Filename for the h5 file containing the output photon spectra"); + + params.addParam( + "comm_photon_flux", false, + "Boolean value used to indicate whether to use boost::interprocess to " + "communicate photon spectra through IPC."); return params; } @@ -116,24 +122,33 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _fp_nuclear_data(_fp_monitor), _neutron_flux_filename(getParam("neutron_flux_file")), _neutron_flux_hdf5_path(getParam("neutron_flux_hdf5_path")), - _photon_flux_filename(getParam("photon_spectra_filename")), + _photon_flux_filename(getParam("photon_flux_filename")), _materials_from_xml(getParam("read_materials_from_xml")), _neutron_bin_type(getParam("neutron_bin_type")), _schedule_uo_name(getParam("fispact_schedule_uo")), - _local_domain_strength(0), _total_domain_strength(0) { - _console << "Constructor" << std::endl; + _local_domain_strength(0), _total_domain_strength(0), + _write_photon_flux(getParam("write_photon_flux")), + _comm_photon_flux(getParam("comm_photon_flux")) { - // Load materials from xml file + // Load materials from xml file if read_materials_from_xml is set to true, and + // a materials xml filename has been passed if (_materials_from_xml) { + if (!isParamSetByUser("materials_xml_file")) { + mooseError("read_materials_from_xml is set to true, but " + "materials_xml_file is not set!"); + } // Set file to get materials from _materials_xml_file = getParam("materials_xml_file"); // Populate _mat_definitions with materials from openmc xml read_material_xml_data(); - } else { - if (isParamSetByUser("materials_xml_file")) { - mooseError("materials_xml_file is set by user, but " - "read_materials_from_xml is false!"); - } + } + + // If write_photon_flux was set to true then check that user input a filename, + // if not use default + if (_write_photon_flux && !isParamSetByUser("photon_flux_filename")) { + _console << "write_photon_flux is set to true but photon_flux_filename is " + "not set! Photon flux filename defaulting to " + + _photon_flux_filename; } // Check a corresponding material exists for all mesh blocks @@ -151,52 +166,61 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) // Set neutron bin type setNeutronBins(); - // Read neutron flux from h5 file readNeutronFluxFromHDF5(_neutron_flux_filename, _neutron_flux_hdf5_path); - _console << _neutron_fluxes.size() << std::endl; + + if (_comm_photon_flux) { +#ifdef LIBMESH_HAVE_BOOST + // Give the shared memory region a name based on current MPI rank to + // prevent clashes + std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); + + // Remove any shared memory region with a similar name just in case + bi::shared_memory_object::remove(data_name.c_str()); + + // Calculate space needed for shared mem region + unsigned long shared_memory_size = calculateMemorySize(); + + // Create shared memory region + _segment = bi::managed_shared_memory(bi::create_only, data_name.c_str(), + shared_memory_size); +#else + mooseError("_comm_photon_flux is set to true but libmesh was not built " + "with BOOST. No communication occuring."); +#endif + } } void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { if (direction == ExternalProblem::Direction::FROM_EXTERNAL_APP) { + if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST - { - // vector of all local domain strengths - std::vector local_domain_strengths; - comm().allgather(_local_domain_strength, local_domain_strengths); - // calculate TotalDomainStrength - getTotalDomainStrength(); - - // unsigned long shared_memory_size = calculateMemorySize(); - // Use namespace alias for ease - namespace bi = boost::interprocess; - // Give the shared memory region a name based on current MPI rank to - // prevent clashes std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - // Remove any shared memory region with a similar name just in case - bi::shared_memory_object::remove(data_name.c_str()); - - // Calculate space needed for shared mem region + // vector of all local domain strengths + std::vector local_domain_strengths; + comm().allgather(_local_domain_strength, local_domain_strengths); - // Create shared memory region - bi::managed_shared_memory segment(bi::create_only, data_name.c_str(), - shared_memory_size); + // calculate TotalDomainStrength + getTotalDomainStrength(); // Create a shared instantiation of the photon sharing class PhotonSharingData *photon_sharing_instance = - segment.construct( + _segment.construct( "PhotonSharingData photon_sharing_instance")( - segment, _photon_fluxes, _element_strengths, 24, + _segment, _photon_fluxes, _element_strengths, 24, (int)_mesh.getMesh().n_active_local_elem(), _total_domain_strength, _local_domain_strength, local_domain_strengths, _photon_bins); - } +#else + mooseError("_comm_photon_flux is set to true but libmesh was not built " + "with BOOST. No communication occuring."); #endif + } } } @@ -257,9 +281,15 @@ void FispactProblem::externalSolve() { _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() << std::endl; } + _photon_bins = fispact_output.getGammaSpectrumBoundaries(0); - for (auto bin : _photon_bins) { - _console << bin << " "; + + for (auto &bin : _photon_bins) { + if (bin < 0.01) { + continue; + } + // Change bins to MeV; + bin *= 1e6; } writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); @@ -351,7 +381,8 @@ void FispactProblem::writePhotonFluxToHDF5(const std::string &filename, // selection should be the element_id who's flux we wish to write hsize_t offset[2] = {element_id, 0}; - // count specifies the number of entries we wish to write in each dimension + // count specifies the number of entries we wish to write in each + // dimension hsize_t count[2] = {1, 24}; // Select the hyperslab of the dataspace that we wish to write to From 83d868fc3ad9601637b521896226fe72bd5414e2 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 22 Aug 2025 17:07:11 +0100 Subject: [PATCH 010/169] Added FISPACT Cardinal example input file --- inputs/cardinal_multiapp/fispact_cardinal.i | 67 +++++++++++++++++++++ 1 file changed, 67 insertions(+) create mode 100644 inputs/cardinal_multiapp/fispact_cardinal.i diff --git a/inputs/cardinal_multiapp/fispact_cardinal.i b/inputs/cardinal_multiapp/fispact_cardinal.i new file mode 100644 index 0000000..a6d7d06 --- /dev/null +++ b/inputs/cardinal_multiapp/fispact_cardinal.i @@ -0,0 +1,67 @@ +[Mesh] + [fmg] + type = FileMeshGenerator + file = "../../example_geom/cube.e" + [] +[] + +[AuxVariables] + [Photon_flux] + family = MONOMIAL + order = CONSTANT + [] +[] + + +[Problem] + type = FispactProblem + fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' + + neutron_flux_file = '/home/bill/Projects/PyFIS/cube_example/neutron_cube/statepoint.2.h5' + neutron_flux_hdf5_path = 'tallies/tally 1/results' + neutron_bin_type = 'G1102' + write_photon_spectra = True + photon_spectra_filename = 'photon_spectra_out' + comm_photon_spectra = True + + fispact_schedule_uo = 'Schedule' + + read_materials_from_xml = True + materials_xml_file = '/home/bill/Projects/fizzy/materials.xml' +[] + +[UserObjects] + [Schedule] + type = FispactSchedule + times = '300 30 30 30 30 30' + flux_schedule = '1e10 0 0 0 0 0' + [] +[] + +[MultiApps] + [Cardinal] + type = FullSolveMultiApp + execute_on = timestep_end + app_type = 'CardinalApp' + input_files = '/home/bill/Projects/cardinal-fispact/inputs/compiled_source/card_input.i' + library_path = '/home/bill/Projects/cardinal-fispact/lib/' + library_name = 'libcardinal-opt.la' + [] +[] + +[Transfers] + [Photon_flux_from_cardinal] + type = MultiAppCopyTransfer + source_variable = 'photon_flux_photon' + variable = Photon_flux + from_multi_app='Cardinal' + [../] +[] + +[Executioner] + type = Steady +[] + +[Outputs] + exodus = True +[] From de960187d07262312f9b5e750b302a6c40c101e6 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 28 Aug 2025 15:36:40 +0100 Subject: [PATCH 011/169] Fixed parameter naming in fispact cardinal multiapp example --- inputs/cardinal_multiapp/fispact_cardinal.i | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/inputs/cardinal_multiapp/fispact_cardinal.i b/inputs/cardinal_multiapp/fispact_cardinal.i index a6d7d06..a3148c3 100644 --- a/inputs/cardinal_multiapp/fispact_cardinal.i +++ b/inputs/cardinal_multiapp/fispact_cardinal.i @@ -20,9 +20,9 @@ neutron_flux_file = '/home/bill/Projects/PyFIS/cube_example/neutron_cube/statepoint.2.h5' neutron_flux_hdf5_path = 'tallies/tally 1/results' neutron_bin_type = 'G1102' - write_photon_spectra = True - photon_spectra_filename = 'photon_spectra_out' - comm_photon_spectra = True + write_photon_flux = True + photon_flux_filename = 'photon_spectra_out' + comm_photon_flux = True fispact_schedule_uo = 'Schedule' From 2b9278a8d3401ca576774033b239cf93fc6a18b9 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 28 Aug 2025 15:37:26 +0100 Subject: [PATCH 012/169] Removed commented out old functionality from FispactProblem.C --- src/problems/FispactProblem.C | 88 ----------------------------------- 1 file changed, 88 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index dcc4f8d..7c6d605 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -168,7 +168,6 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) setNeutronBins(); // Read neutron flux from h5 file readNeutronFluxFromHDF5(_neutron_flux_filename, _neutron_flux_hdf5_path); - if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST // Give the shared memory region a name based on current MPI rank to @@ -621,7 +620,6 @@ void FispactProblem::read_material_xml_data() { pugi::xml_parse_result result = doc.load_file(_materials_xml_file.c_str()); if (!result) { - // mooseError(); mooseError("No file called " + _materials_xml_file + " could be found, exiting."); } @@ -761,89 +759,3 @@ int FispactProblem::calculateMemorySize() { // account for the memory space required by Boost allocators and such return memory_size * 2; } - -// double FispactProblem::extractHalflifeFromNuc(fp::NuclearData -// &nuclear_data, -// int zai) { -// int num_zais = nuclear_data.getDecayDataSize(); -// -// std::vector decay_zais = nuclear_data.getDecayZais(); -// for (int i = 0; i < num_zais + 1; i++) { -// if (decay_zais[i] == zai) { -// double halflife = nuclear_data.getDecayHalfLife(i); -// return halflife; -// } -// } -// return -1.0; -// } -// -// void FispactProblem::printInventoryByHeat(fp::OutputData &output, -// int timestep_index, -// std::ostream &stream) { -// double mass = output.getInventoryValue( -// timestep_index, FISPACT_OUTPUT_DATA_INVENTORY_TOTAL_MASS); -// -// std::pair, std::vector> dom_sort = -// output.getSortedInventory(timestep_index, -// FISPACT_OUTPUT_DATA_INVENTORY_TOTAL_HEAT); -// -// std::vector dom_zai = std::get<0>(dom_sort); -// std::vector dom_heat = std::get<1>(dom_sort); -// -// int num_nuclides = dom_zai.size(); -// for (int i = (num_nuclides - 8); i < num_nuclides; i++) { -// double heating = dom_heat[i] / mass; -// double halflife = extractHalflifeFromNuc(_fp_nuclear_data, dom_zai[i]); -// if (halflife != -1.0) { -// std::string nuclide_name = -// fp::util::GetNuclideName(_fp_monitor, dom_zai[i]); -// -// // stream << std::setw(15) << halflife / FISPACT_YEAR_TO_SEC << -// // std::setw(15) -// // << heating << std::setw(15) << nuclide_name << "\n"; -// stream << heating << "," << nuclide_name << "\n"; -// } -// } -// } -// -// void FispactProblem::printInvData(fp::OutputData &output, -// std::ostream &stream) { -// double mass = -// output.getInventoryValue(0, -// FISPACT_OUTPUT_DATA_INVENTORY_TOTAL_MASS); -// -// std::pair, std::vector> dom_sort = -// output.getSortedInventory(1, -// FISPACT_OUTPUT_DATA_INVENTORY_TOTAL_HEAT); -// -// std::vector dom_zai = std::get<0>(dom_sort); -// std::vector dom_heat = std::get<1>(dom_sort); -// -// std::vector chosen_zai(dom_zai.end() - 8, dom_zai.end()); -// -// for (auto zai : chosen_zai) { -// std::string nuclide_name = fp::util::GetNuclideName(_fp_monitor, zai); -// stream << nuclide_name << ","; -// } -// -// stream << std::endl; -// -// for (int time = 1; time < 6; time++) { -// -// std::pair, std::vector> timestep_sort = -// output.getSortedInventory(time, -// FISPACT_OUTPUT_DATA_INVENTORY_TOTAL_HEAT); -// std::vector time_zai = std::get<0>(timestep_sort); -// std::vector time_heat = std::get<1>(timestep_sort); -// -// for (int j = 0; j < time_zai.size(); j++) { -// int zai = time_zai[j]; -// if (std::find(chosen_zai.begin(), chosen_zai.end(), zai) != -// chosen_zai.end()) { -// std::string nuclide_name = fp::util::GetNuclideName(_fp_monitor, -// zai); double heating = time_heat[j] / mass; -// // std::cout << heating << std::endl; -// stream << heating << ","; -// } -// } -// stream << std::endl; From 77e6b9f1e8689db15710397f267e453da2e9c5cb Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 29 Aug 2025 11:41:41 +0100 Subject: [PATCH 013/169] Formatted PhotonSharingData --- include/utils/PhotonSharingData.h | 70 +++++++++++++++++-------------- 1 file changed, 39 insertions(+), 31 deletions(-) diff --git a/include/utils/PhotonSharingData.h b/include/utils/PhotonSharingData.h index 96a9fee..0f54f36 100644 --- a/include/utils/PhotonSharingData.h +++ b/include/utils/PhotonSharingData.h @@ -13,66 +13,74 @@ #include namespace bi = boost::interprocess; -typedef boost::interprocess::allocator< - double, boost::interprocess::managed_shared_memory::segment_manager> +typedef boost::interprocess::allocator ShmemVecAllocator; typedef boost::interprocess::vector BoostIpVector; -typedef boost::interprocess::allocator< - std::pair, - bi::managed_shared_memory::segment_manager> +typedef boost::interprocess::allocator, + bi::managed_shared_memory::segment_manager> ShmemIntVecMapAllocator; -typedef bi::map, ShmemIntVecMapAllocator> - BoostIpIntVecMap; +typedef bi::map, ShmemIntVecMapAllocator> BoostIpIntVecMap; -typedef boost::interprocess::allocator< - std::pair, bi::managed_shared_memory::segment_manager> +typedef boost::interprocess::allocator, + bi::managed_shared_memory::segment_manager> ShmemIntDoubMapAllocator; -typedef bi::map, ShmemIntDoubMapAllocator> - BoostIpIntDoubMap; +typedef bi::map, ShmemIntDoubMapAllocator> BoostIpIntDoubMap; -class PhotonSharingData { +class PhotonSharingData +{ public: - PhotonSharingData(bi::managed_shared_memory &segment, - std::unordered_map> &photon_flux, - std::unordered_map &elem_strength, - int num_photon_bins, int num_local_elems, - double total_domain_strength, double local_domain_strength, + PhotonSharingData(bi::managed_shared_memory & segment, + std::unordered_map> & photon_flux, + std::unordered_map & elem_strength, + int num_photon_bins, + int num_local_elems, + double total_domain_strength, + double local_domain_strength, std::vector local_domain_strengths, std::vector photon_bins) - : _num_photon_bins(num_photon_bins), _num_local_elems(num_local_elems), - _local_domain_strength(local_domain_strength), - _total_domain_strength(total_domain_strength), _communication(true), - _vec_alloc(segment.get_segment_manager()), - _int_vec_map_alloc(segment.get_segment_manager()), - _int_doub_map_alloc(segment.get_segment_manager()), - _photon_fluxes(_int_vec_map_alloc), _elem_strength(_int_doub_map_alloc), - _domain_strengths(_vec_alloc), _photon_bins(_vec_alloc) { + : _num_photon_bins(num_photon_bins), + _num_local_elems(num_local_elems), + _local_domain_strength(local_domain_strength), + _total_domain_strength(total_domain_strength), + _communication(true), + _vec_alloc(segment.get_segment_manager()), + _int_vec_map_alloc(segment.get_segment_manager()), + _int_doub_map_alloc(segment.get_segment_manager()), + _photon_fluxes(_int_vec_map_alloc), + _elem_strength(_int_doub_map_alloc), + _domain_strengths(_vec_alloc), + _photon_bins(_vec_alloc) + { // Initialise shared memory _photon_flux map with values from // FispactProblem's _photon_fluxes - for (auto &pair : photon_flux) { + for (auto & pair : photon_flux) + { _photon_fluxes.insert(std::pair( - pair.first, - BoostIpVector(pair.second.begin(), pair.second.end(), _vec_alloc))); + pair.first, BoostIpVector(pair.second.begin(), pair.second.end(), _vec_alloc))); } // Do the same for elem_strength map - for (auto &pair : elem_strength) { + for (auto & pair : elem_strength) + { _elem_strength.insert(std::pair(pair.first, pair.second)); } - for (auto &strength : local_domain_strengths) { + for (auto & strength : local_domain_strengths) + { _domain_strengths.push_back(strength); } - for (auto &bin : photon_bins) { + for (auto & bin : photon_bins) + { _photon_bins.push_back(bin); } } From c3489f40b00dd3fc268505a04150c777b52a61ff Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 29 Aug 2025 17:55:51 +0100 Subject: [PATCH 014/169] Moved most HDF5 functionality into it's own namespace Moved low level HDF5 functionality to a seperate HDF5Utils file in the utils directory. This has two main consequences. A: there are less HDF5 C API calls within the FispactProblem.C source file itself, making it slightly neater. B: Potentially easier testability of the HDF5 functionality, as different HDF5 mechanisms are now split into their own functions. As a result of reorganising the HDF5 reads/writes, one of the input parameters has changed. Previously, to read the neutron flux spectra from the OpenMC statepoint file, the user was asked to pass the internal HDF5 path to the required dataset as an input parameter to FispactProblem. This was janky. This has been changed so that now the user only need pass in the OpenMC tally id representing the energy binnedneutron flux spectra. --- include/problems/FispactProblem.h | 31 +- include/utils/HDF5Utils.h | 94 +++++ inputs/cardinal_multiapp/fispact_cardinal.i | 2 +- inputs/fispact_in.i | 23 +- src/problems/FispactProblem.C | 409 +++++++++----------- src/utils/HDF5Utils.C | 292 ++++++++++++++ 6 files changed, 598 insertions(+), 253 deletions(-) create mode 100644 include/utils/HDF5Utils.h create mode 100644 src/utils/HDF5Utils.C diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 1c87e2d..a159acf 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -10,12 +10,14 @@ #include "fispactoutputdata.hpp" #include "fispactutil.hpp" #include "libmesh/elem.h" -#include + +#include "HDF5Utils.h" #include #include // Include for interprocess communication data structure #include "PhotonSharingData.h" +#include "libmesh/id_types.h" // Use fp as short for fispact namespace fp = fispact; @@ -57,13 +59,15 @@ class FispactProblem : public ExternalProblem { void setNuclearData(std::string nd_base_path); /// Read a neutron flux spectra from a hdf5 file - std::vector readNeutronFluxFromHDF5(const std::string &filename); + std::vector readElementNeutronFlux(const std::string &filename, + const dof_id_type &elem_id, + const int &tally_id, + const int &num_neutron_bins); - /// Write output photon flux to HDF5 - void writePhotonFluxToHDF5(const std::string &filename, - fp::OutputData &fispact_output); + void writePhotonFlux(const std::string &filename); - void writePhotonFluxBins(hid_t file_id, fp::OutputData &fispact_output); + void writePhotonFluxBins(hid_t file_id, std::vector &photon_bins, + bool parallel); void setFispactInputData(fp::FispactMonitor &monitor, fp::InputData &input, MaterialDefinition &material, @@ -76,8 +80,6 @@ class FispactProblem : public ExternalProblem { // Initialise FISPACT monitor object void initFispactMonitor(std::string); - void readNeutronFluxFromHDF5(std::string filename, std::string tally_dir); - void read_material_xml_data(); /** @@ -120,7 +122,12 @@ class FispactProblem : public ExternalProblem { double extractHalflifeFromNuc(fp::NuclearData &nuclear_data, int zai); - bool isFlux(int elem_id); + bool isFlux(std::vector &flux); + + void setNeutronBins(); + /// + void getPhotonBins(std::vector &photon_bins, + fp::OutputData &fispact_output); // -- Interprocess bits -- @@ -146,13 +153,11 @@ class FispactProblem : public ExternalProblem { std::string _neutron_flux_filename; /// path to neutron flux array in hdf5 file - std::string _neutron_flux_hdf5_path; + int _neutron_flux_tally_id; /// hdf5 filename for photon flux std::string _photon_flux_filename; - void setNeutronBins(); - /// bool _materials_from_xml; /// Boolean to determine whether a rank is still running FISPACT calculations @@ -164,7 +169,7 @@ class FispactProblem : public ExternalProblem { /// Mappings from material name to material definitions std::unordered_map _mat_definitions; - MaterialDefinition &getElementMaterial(int &elem_id); + MaterialDefinition &getElementMaterial(dof_id_type &elem_id); std::string _neutron_bin_type; diff --git a/include/utils/HDF5Utils.h b/include/utils/HDF5Utils.h new file mode 100644 index 0000000..9edfdaf --- /dev/null +++ b/include/utils/HDF5Utils.h @@ -0,0 +1,94 @@ +#pragma once + +#include "H5Cpp.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include "MooseError.h" + +#include "hdf5.h" +#include "hdf5_hl.h" + +namespace hdf5_utils { + +/* + *Check an attribute exists for a given object, using the object id and the + *name of the attribute + * + * + **/ +bool attribute_exists(hid_t obj_id, const char *name); +/***/ +bool object_exists(hid_t object_id, const char *name); + +/* + * Get the shape of an object + * + * + **/ +void get_shape(hid_t obj_id, hsize_t *dims); + +std::string object_name(hid_t obj_id); +/***/ +void ensure_exists(hid_t obj_id, const char *name, bool attribute = false); + +/***/ +hid_t file_open(const char *filename, char mode, bool parallel, + const MPI_Comm &comm); + +/***/ +void file_close(hid_t file_id); + +/***/ + +hid_t open_dataset(hid_t group_id, const char *name); + +void close_dataset(hid_t dataset_id); + +hid_t open_group(hid_t group_id, const char *name); + +hid_t open_group(hid_t group_id, const std::string &name); + +void close_group(hid_t group_id); + +void read_dataset_lowlevel(hid_t obj_id, const char *name, hid_t mem_type_id, + hid_t mem_space_id, void *buffer, bool parallel, + bool indep = true, hid_t file_space_id = H5S_ALL); + +void write_dataset_lowlevel(hid_t obj_id, const char *name, int ndim, + const hsize_t *dims, hid_t mem_type_id, + void *buffer, bool parallel, bool indep = true, + hid_t file_space_id = H5S_ALL); + +void read_double(hid_t obj_id, const char *name, double *buffer, bool parallel, + bool indep = true); + +void read_int(hid_t obj_id, const char *name, int *buffer, bool parallel, + bool indep = true); + +bool using_mpio_device(hid_t obj_id); + +void read_double_hyperslab(hid_t group_id, const char *name, hsize_t rank, + hsize_t dims[], hsize_t start[], hsize_t count[], + double *results, bool parallel = true, + bool indep = true); + +void write_double_hyperslab(hid_t obj_id, const char *name, hsize_t ndim, + hsize_t dims[3], hsize_t start[], hsize_t count[], + double *results, bool parallel = true, + bool indep = true); +} // namespace hdf5_utils diff --git a/inputs/cardinal_multiapp/fispact_cardinal.i b/inputs/cardinal_multiapp/fispact_cardinal.i index a3148c3..6a50ade 100644 --- a/inputs/cardinal_multiapp/fispact_cardinal.i +++ b/inputs/cardinal_multiapp/fispact_cardinal.i @@ -18,7 +18,7 @@ fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' neutron_flux_file = '/home/bill/Projects/PyFIS/cube_example/neutron_cube/statepoint.2.h5' - neutron_flux_hdf5_path = 'tallies/tally 1/results' + neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' write_photon_flux = True photon_flux_filename = 'photon_spectra_out' diff --git a/inputs/fispact_in.i b/inputs/fispact_in.i index d82f071..67ac5ec 100644 --- a/inputs/fispact_in.i +++ b/inputs/fispact_in.i @@ -1,18 +1,29 @@ [Mesh] [fmg] type = FileMeshGenerator - file = "../librti-tets-scaled.e" + file = "../example_geom/cube.e" [] [] +[AuxVariables] + [Photon_flux] + family = MONOMIAL + order = CONSTANT + [] +[] + + [Problem] type = FispactProblem fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - neutron_flux_file = '/home/bill/Projects/PyFIS/statepoint.3.h5' - neutron_flux_hdf5_path = 'tallies/tally 1/results' + neutron_flux_file = '/home/bill/Projects/PyFIS/cube_example/neutron_cube/statepoint.2.h5' + neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' - + write_photon_flux = True + photon_flux_filename = 'photon_spectra_test.h5' + comm_photon_flux = True + fispact_schedule_uo = 'Schedule' read_materials_from_xml = True @@ -31,3 +42,7 @@ [Executioner] type = Steady [] + +[Outputs] + exodus = True +[] diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 7c6d605..df39c8f 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -4,18 +4,7 @@ // Custom user object includes #include "FispactSchedule.h" -/// HDF5 include -#include "H5Cpp.h" -#include -#include -#include -#include -#include -#include -#include -#include -#include - +#include "HDF5Utils.h" #include "MooseError.h" #include "MooseTypes.h" @@ -30,6 +19,7 @@ #include "fispactutil.hpp" #include "libmesh/elem.h" +#include "libmesh/id_types.h" #include "mpi.h" /// PugiXML include @@ -75,8 +65,8 @@ InputParameters FispactProblem::validParams() { // New parameters we need for FISPACT params.addRequiredParam("neutron_flux_file", "HDF5 file storing neutron flux"); - params.addRequiredParam( - "neutron_flux_hdf5_path", + params.addRequiredParam( + "neutron_flux_tally_id", "Path within HDF5 file for the vector storing neutron flux"); params.addRequiredParam("fispact_nuclear_data_path", @@ -121,7 +111,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) : ExternalProblem(params), _fp_monitor(fispactLogName()), _fp_nuclear_data(_fp_monitor), _neutron_flux_filename(getParam("neutron_flux_file")), - _neutron_flux_hdf5_path(getParam("neutron_flux_hdf5_path")), + _neutron_flux_tally_id(getParam("neutron_flux_tally_id")), _photon_flux_filename(getParam("photon_flux_filename")), _materials_from_xml(getParam("read_materials_from_xml")), _neutron_bin_type(getParam("neutron_bin_type")), @@ -151,6 +141,9 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _photon_flux_filename; } + // Set neutron bin type + setNeutronBins(); + // Check a corresponding material exists for all mesh blocks checkMaterialsExist(); @@ -164,10 +157,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) // Set nuclear data paths setNuclearData(fp_nuclear_data_path); - // Set neutron bin type - setNeutronBins(); // Read neutron flux from h5 file - readNeutronFluxFromHDF5(_neutron_flux_filename, _neutron_flux_hdf5_path); if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST // Give the shared memory region a name based on current MPI rank to @@ -230,29 +220,36 @@ void FispactProblem::externalSolve() { fp::OutputData fispact_output(_fp_monitor); int counter = 1; - for (auto element_iter : *_mesh.getActiveLocalElementRange()) { - - _console << "starting " + std::to_string(counter) << std::endl; + for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { // Get element id - int elem_id = element_iter->id(); - _console << "Elem ID" << std::to_string(elem_id) << std::endl; + dof_id_type elem_id = element->id(); + + _console << "Elem ID: " << std::to_string(elem_id) << std::endl; + + std::vector neutron_flux = + readElementNeutronFlux(_neutron_flux_filename, elem_id, + _neutron_flux_tally_id, _num_neutron_bins); + + // Output how many elements have been checked + _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() + << std::endl; + std::vector photon_spectra(24, 0); // Check if there is any neutron flux in current element - bool is_flux = isFlux(elem_id); + bool is_flux = isFlux(neutron_flux); // If there is flux in the element, run FISPACT if (is_flux) { // Here we are assuming the input mesh is in centimeters - double element_volume = (element_iter)->volume(); + double element_volume = element->volume(); // Get element material definition MaterialDefinition &el_mat = getElementMaterial(elem_id); - setFispactInputData(_fp_monitor, fispact_input, el_mat, - _neutron_fluxes[elem_id], _neutron_bins, - element_volume); + setFispactInputData(_fp_monitor, fispact_input, el_mat, neutron_flux, + _neutron_bins, element_volume); // Run FISPACT fp::Process(fispact_input, _fp_nuclear_data, fispact_output, _fp_monitor, process_callback); @@ -260,10 +257,6 @@ void FispactProblem::externalSolve() { convertGammaEvToCount( fispact_input, fispact_output.getGammaSpectrumBins(1), fispact_output.getGammaSpectrumBoundaries(0), photon_spectra); - - for (auto &ev : fispact_input.getGammaEnergyBounds()) { - _console << std::to_string(ev) << " "; - } } _photon_fluxes.insert( @@ -271,106 +264,55 @@ void FispactProblem::externalSolve() { // Calculate photon source strength of this element and insert it into // _element_strengths map - insertElementStrength(element_iter, _photon_fluxes.at(elem_id)); + insertElementStrength(element, _photon_fluxes.at(elem_id)); // Add calculated element strength to _local_domain_strength - updateLocalDomainStrength(element_iter); - - // Output how many elements have been checked - _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() - << std::endl; + updateLocalDomainStrength(element); } - _photon_bins = fispact_output.getGammaSpectrumBoundaries(0); - - for (auto &bin : _photon_bins) { - if (bin < 0.01) { - continue; - } - // Change bins to MeV; - bin *= 1e6; - } - - writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); + getPhotonBins(_photon_bins, fispact_output); + writePhotonFlux(_photon_flux_filename); + // writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); fp::GlobalFinalise(_fp_monitor); } -std::string FispactProblem::fispactLogName() { - std::string log_name = "FISPACT_app_" + - this->getMooseApp().getInputFileNames()[0] + - std::to_string(processor_id()) + ".log"; - return log_name; -} - -void FispactProblem::setNuclearData(std::string nd_base_path) { - fp::io::NuclearDataReader nd_reader(_fp_monitor); - - nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, - nd_base_path + "decay2020/decay_2020_index.txt"); - - nd_reader.setPath(FISPACT_ND_XS_ENDF_KEY, - nd_base_path + "TENDL2021data/gendf-1102"); - nd_reader.setPath(FISPACT_ND_PROB_TAB_KEY, - nd_base_path + "TENDL2021data/tp-1102-294"); - - nd_reader.setPath(FISPACT_ND_FY_ENDF_KEY, - nd_base_path + "GEFY61data/gefy61_nfy"); - nd_reader.setPath(FISPACT_ND_SF_ENDF_KEY, - nd_base_path + "GEFY61data/gefy61_sfy"); - - nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, - nd_base_path + "decay2020/decay_2020"); - nd_reader.setPath(FISPACT_ND_ABSORP_KEY, nd_base_path + "decay/abs_2012"); +void FispactProblem::writePhotonFlux(const std::string &filename) { - nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, - nd_base_path + "/decay/hazards_2012"); - nd_reader.setPath(FISPACT_ND_CLEAR_KEY, nd_base_path + "/decay/clear_2012"); - nd_reader.setPath(FISPACT_ND_A2DATA_KEY, nd_base_path + "/decay/a2_2012"); +// Do use MPI HDF5 driver, as we are calling H5Dcreate on each rank the same +// number of times +#ifdef H5_HAVE_PARALLEL + bool parallel = true; +#elif + parallel = false; +#endif + // Open OpenMC statepoint file with Neutron Flux + hid_t file_id = + hdf5_utils::file_open(filename.c_str(), 'w', parallel, comm().get()); - nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); -} + std::string dataset_name = "photon_flux"; + int ndim = 2; + int x_dim = _mesh.getMesh().n_active_elem(); -void FispactProblem::writePhotonFluxToHDF5(const std::string &filename, - fp::OutputData &fispact_output) { - MPI_Comm comm = MPI_COMM_WORLD; - MPI_Info info = MPI_INFO_NULL; - _console << "Writing..." << std::endl; - hid_t plist_id = H5Pcreate(H5P_FILE_ACCESS); - H5Pset_all_coll_metadata_ops(plist_id, true); - H5Pset_coll_metadata_write(plist_id, true); - // Set HDF5 driver - H5Pset_fapl_mpio(plist_id, comm, info); - - // Create HDF5 file - auto file_id = - H5Fcreate(filename.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, plist_id); - H5Pclose(plist_id); - - // Loop over all MPI ranks - std::string dataset_name = "photon_data"; - hsize_t dataspace_dims[2]; + int y_dim = 24; + hsize_t dataspace_dims[ndim]; // Set up dimensions for photon flux dataspace - dataspace_dims[0] = _mesh.getMesh().n_active_elem(); - dataspace_dims[1] = 24; + dataspace_dims[0] = x_dim; + dataspace_dims[1] = y_dim; - hid_t filespace = H5Screate_simple(2, dataspace_dims, NULL); + hid_t filespace = H5Screate_simple(ndim, dataspace_dims, NULL); hid_t h5_dataset = H5Dcreate(file_id, dataset_name.c_str(), H5T_NATIVE_DOUBLE, filespace, H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); H5Sclose(filespace); - // Get dataspace corresponding to the hdf5 dataset - filespace = H5Dget_space(h5_dataset); - for (auto &element_flux_pair : _photon_fluxes) { // CONTEXT: A hyperslab is a section of a hdf5 dataspace, don't be put off // by the fancy name // Create hdf5 dataspace to be our memory space for writing - hsize_t memory_dspace_dims[2] = {1, 24}; - hid_t memspace = H5Screate_simple(2, memory_dspace_dims, NULL); + hsize_t hyperslab_dims[2] = {1, y_dim}; // Retrieve element id from _photon_fluxes map hsize_t element_id = (hsize_t)element_flux_pair.first; @@ -378,41 +320,33 @@ void FispactProblem::writePhotonFluxToHDF5(const std::string &filename, // offset and count are used to select our hyperslab. // Given the dimensions of the dataspace are num_elems * 24, our offset // selection should be the element_id who's flux we wish to write - hsize_t offset[2] = {element_id, 0}; + hsize_t start[2] = {element_id, 0}; // count specifies the number of entries we wish to write in each // dimension hsize_t count[2] = {1, 24}; - // Select the hyperslab of the dataspace that we wish to write to - H5Sselect_hyperslab(filespace, H5S_SELECT_SET, offset, NULL, count, NULL); - - // Set data transfer mode - plist_id = H5Pcreate(H5P_DATASET_XFER); - H5Pset_dxpl_mpio(plist_id, H5FD_MPIO_INDEPENDENT); - - // Write the data - H5Dwrite(h5_dataset, H5T_NATIVE_DOUBLE, memspace, filespace, plist_id, - element_flux_pair.second.data()); - H5Sclose(memspace); + hdf5_utils::write_double_hyperslab(h5_dataset, nullptr, ndim, + hyperslab_dims, start, count, + element_flux_pair.second.data(), true); } - writePhotonFluxBins(file_id, fispact_output); + // writePhotonFluxBins(file_id, fispact_output); // Close all the HDF5 bits and pieces - H5Sclose(filespace); H5Dclose(h5_dataset); - H5Pclose(plist_id); + + // Write bins to hdf5 file as well + writePhotonFluxBins(file_id, _photon_bins, parallel); + H5Fclose(file_id); } void FispactProblem::writePhotonFluxBins(hid_t file_id, - fp::OutputData &fispact_output) { - - // Get gamma bins from the FISPACT output data - std::vector photon_bins = - fispact_output.getGammaSpectrumBoundaries(0); + std::vector &photon_bins, + bool parallel) { // Set up hsize_t object to hold dataset dimensions - hsize_t bin_dataset_dims[1]; + int ndim = 1; + hsize_t bin_dataset_dims[ndim]; bin_dataset_dims[0] = photon_bins.size(); std::string dataset_name = "photon_bins"; @@ -424,116 +358,87 @@ void FispactProblem::writePhotonFluxBins(hid_t file_id, hid_t h5_dataset_photon_bins = H5Dcreate(file_id, dataset_name.c_str(), H5T_NATIVE_DOUBLE, filespace_photon_bins, H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); - - // Set up transfer properties - hid_t plist_id = H5Pcreate(H5P_DATASET_XFER); - H5Pset_dxpl_mpio(plist_id, H5FD_MPIO_INDEPENDENT); - - // Only write the photon bins out on rank 0, we don't need to write it from - // all of them - if (ExternalProblem::comm().rank() == 0) { - H5Dwrite(h5_dataset_photon_bins, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, - plist_id, photon_bins.data()); - } - H5Sclose(filespace_photon_bins); H5Dclose(h5_dataset_photon_bins); - H5Pclose(plist_id); + + hdf5_utils::write_dataset_lowlevel(file_id, dataset_name.c_str(), ndim, + bin_dataset_dims, H5T_NATIVE_DOUBLE, + photon_bins.data(), parallel); + // // Set up transfer properties + // hid_t plist_id = H5Pcreate(H5P_DATASET_XFER); + // H5Pset_dxpl_mpio(plist_id, H5FD_MPIO_INDEPENDENT); + // + // // Only write the photon bins out on rank 0, we don't need to write it from + // // all of them + // if (ExternalProblem::comm().rank() == 0) { + // H5Dwrite(h5_dataset_photon_bins, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, + // plist_id, photon_bins.data()); + // } + // H5Sclose(filespace_photon_bins); + // H5Pclose(plist_id); } -void FispactProblem::readNeutronFluxFromHDF5(std::string filename, - std::string tally_dir) { - - MPI_Comm comm = MPI_COMM_WORLD; - MPI_Info info = MPI_INFO_NULL; - // Set access properties - hid_t plist_id = H5Pcreate(H5P_FILE_ACCESS); - - H5Pset_all_coll_metadata_ops(plist_id, true); - H5Pset_coll_metadata_write(plist_id, true); - // Set HDF5 driver - H5Pset_fapl_mpio(plist_id, comm, info); - // Open statepoint file as H5File - hid_t file_id = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, plist_id); - H5Pclose(plist_id); - // Create dataset and dataspace for the tally results - hid_t dataset_tally_id = H5Dopen(file_id, tally_dir.c_str(), H5P_DEFAULT); - hid_t space_tally_id = H5Dget_space(dataset_tally_id); - - // Read in dimensions of tally results array - hsize_t tally_array_dims[3]; - H5Sget_simple_extent_dims(space_tally_id, tally_array_dims, NULL); - - // Check that the neutron flux we are reading is suitable for this mesh - if (tally_array_dims[0] != _mesh.nElem() * _num_neutron_bins) { - mooseError("Neutron flux file is incorrect dimension"); +void FispactProblem::getPhotonBins(std::vector &photon_bins, + fp::OutputData &fispact_output) { + + photon_bins = fispact_output.getGammaSpectrumBoundaries(0); + + for (auto &bin : photon_bins) { + if (bin < 0.01) { + continue; + } + // Change bins to MeV; + bin *= 1e6; } +} - // Read in number of realizations to calculate mean - // Set up dataset and dataspace for reading realization count +std::vector FispactProblem::readElementNeutronFlux( + const std::string &filename, const dof_id_type &elem_id, + const int &tally_id, const int &num_neutron_bins) { + // Don't do this with HDF5 MPI driver, as we are going to call H5Dopen a + // different number of times on each rank! + bool parallel = false; + // Open OpenMC statepoint file with Neutron Flux + hid_t file_id = + hdf5_utils::file_open(filename.c_str(), 'r', parallel, comm().get()); + + // Open up tallies group in HDF5 file + hid_t tallies_group_id = hdf5_utils::open_group(file_id, "tallies"); + + // Open up the neutron flux tally group within the tallies group + std::string tally_group_name = "tally " + std::to_string(tally_id); + hid_t neutron_tally_group_id = + hdf5_utils::open_group(tallies_group_id, tally_group_name); + + // Define size of selection of neutron flux + hsize_t dims[3]{static_cast(num_neutron_bins), 1, 1}; + hsize_t start[]{elem_id * num_neutron_bins, 0, 0}; + hsize_t count[]{static_cast(num_neutron_bins), 1, 1}; + + // Get number of tally realizations int n_realizations; - hid_t dataset_realizations_id = - H5Dopen(file_id, "n_realizations", H5P_DEFAULT); - hid_t space_realizations_id = H5Dget_space(dataset_realizations_id); - - // Set up memory space for reading realization (batch) count - hsize_t memspace_dimensions_realizations[3] = {1, 1, 1}; - hid_t memspace_realizations_id = - H5Screate_simple(1, memspace_dimensions_realizations, nullptr); - - H5Dread(dataset_realizations_id, H5T_STD_I32LE, memspace_realizations_id, - space_realizations_id, H5P_DEFAULT, &n_realizations); - - // Close realizations hdf5 structures - H5Sclose(space_realizations_id); - H5Sclose(memspace_realizations_id); - H5Dclose(dataset_realizations_id); - - // Set up vector of vectors to store neutron fluxes - std::vector> neutron_fluxes( - tally_array_dims[0] / _num_neutron_bins, - std::vector(_num_neutron_bins, 0)); - - for (int i = 0; i < neutron_fluxes.size(); i++) { - // Set up std::vector to store neutron flux data - std::vector neutron_flux_data(_num_neutron_bins, 0.0); - - // Set up counts and offsets for selecting hyperslab of tally array - hsize_t data_offset[3] = {static_cast((_num_neutron_bins * i)), 0, - 0}; - hsize_t data_count[3] = {static_cast(_num_neutron_bins), 1, 1}; - - // Set up memory space for reading tally results - hsize_t arr_len[3] = {static_cast(_num_neutron_bins), 1, 1}; - hid_t memspace_tally_id = H5Screate_simple(1, arr_len, NULL); - H5Sselect_hyperslab(space_tally_id, H5S_SELECT_SET, data_offset, NULL, - data_count, NULL); - - plist_id = H5Pcreate(H5P_DATASET_XFER); - H5Pset_dxpl_mpio(plist_id, H5FD_MPIO_INDEPENDENT); - // Read in neutron flux tally results - H5Dread(dataset_tally_id, H5T_IEEE_F64LE, memspace_tally_id, space_tally_id, - H5P_DEFAULT, neutron_flux_data.data()); - - for (auto &neutron_flux : neutron_flux_data) { - neutron_flux = neutron_flux / n_realizations; - } - // Add neutron flux data to map - neutron_fluxes[i] = neutron_flux_data; + hdf5_utils::read_int(neutron_tally_group_id, "n_realizations", + &n_realizations, parallel, true); - // Close memspace dataspace - H5Sclose(memspace_tally_id); - H5Pclose(plist_id); - } + std::vector neutron_flux_results(_num_neutron_bins, 0); + + // Number of dimensions of hyperslab to read + hsize_t rank = 3; + hdf5_utils::read_double_hyperslab(neutron_tally_group_id, "results", rank, + dims, start, count, + neutron_flux_results.data(), parallel); + + hdf5_utils::close_group(tallies_group_id); + hdf5_utils::close_group(neutron_tally_group_id); + + hdf5_utils::file_close(file_id); - // for now, only keep neutron fluxes for local elements - for (MeshBase::element_iterator it = _mesh.activeLocalElementsBegin(); - it != _mesh.activeLocalElementsEnd(); it++) { - int elem_id = (*it)->id(); - _neutron_fluxes.insert(std::make_pair(elem_id, neutron_fluxes[elem_id])); + // Divide every value in neutron flux results vector by n_realizations to get + // the mean value + for (auto &bin : neutron_flux_results) { + bin /= n_realizations; } - H5Dclose(dataset_tally_id); - H5Sclose(space_tally_id); - H5Fclose(file_id); + + return neutron_flux_results; } // To do: Break up this function into setFispactInputFlux and @@ -590,7 +495,7 @@ void FispactProblem::setFispactSchedule(fp::InputData &input) { } FispactProblem::MaterialDefinition & -FispactProblem::getElementMaterial(int &elem_id) { +FispactProblem::getElementMaterial(dof_id_type &elem_id) { libMesh::Elem *elem = _mesh.elemPtr(elem_id); const std::string &subdomain_name = @@ -605,11 +510,10 @@ FispactProblem::getElementMaterial(int &elem_id) { } } -bool FispactProblem::isFlux(int elem_id) { +bool FispactProblem::isFlux(std::vector &flux) { // Check if there is any neutron flux in current element - bool is_zero_flux = std::all_of(_neutron_fluxes.at(elem_id).begin(), - _neutron_fluxes.at(elem_id).end(), - [](double j) { return j == 0; }); + bool is_zero_flux = + std::all_of(flux.begin(), flux.end(), [](double j) { return j == 0; }); // return true if there is flux, false if there isn't, as the function name // implies return !is_zero_flux; @@ -759,3 +663,38 @@ int FispactProblem::calculateMemorySize() { // account for the memory space required by Boost allocators and such return memory_size * 2; } + +std::string FispactProblem::fispactLogName() { + std::string log_name = "FISPACT_app_" + + this->getMooseApp().getInputFileNames()[0] + + std::to_string(processor_id()) + ".log"; + return log_name; +} + +void FispactProblem::setNuclearData(std::string nd_base_path) { + fp::io::NuclearDataReader nd_reader(_fp_monitor); + + nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, + nd_base_path + "decay2020/decay_2020_index.txt"); + + nd_reader.setPath(FISPACT_ND_XS_ENDF_KEY, + nd_base_path + "TENDL2021data/gendf-1102"); + nd_reader.setPath(FISPACT_ND_PROB_TAB_KEY, + nd_base_path + "TENDL2021data/tp-1102-294"); + + nd_reader.setPath(FISPACT_ND_FY_ENDF_KEY, + nd_base_path + "GEFY61data/gefy61_nfy"); + nd_reader.setPath(FISPACT_ND_SF_ENDF_KEY, + nd_base_path + "GEFY61data/gefy61_sfy"); + + nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, + nd_base_path + "decay2020/decay_2020"); + nd_reader.setPath(FISPACT_ND_ABSORP_KEY, nd_base_path + "decay/abs_2012"); + + nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, + nd_base_path + "/decay/hazards_2012"); + nd_reader.setPath(FISPACT_ND_CLEAR_KEY, nd_base_path + "/decay/clear_2012"); + nd_reader.setPath(FISPACT_ND_A2DATA_KEY, nd_base_path + "/decay/a2_2012"); + + nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); +} diff --git a/src/utils/HDF5Utils.C b/src/utils/HDF5Utils.C new file mode 100644 index 0000000..ef18804 --- /dev/null +++ b/src/utils/HDF5Utils.C @@ -0,0 +1,292 @@ +#include "HDF5Utils.h" +#include "MooseError.h" +#include "fmt/format.h" +#include "mpi.h" +#include +#include + +namespace hdf5_utils { + +bool attribute_exists(hid_t obj_id, const char *name) { + + htri_t out = H5Aexists_by_name(obj_id, ".", name, H5P_DEFAULT); + // If the attribute exists out will be 1 + return out > 0; +} + +bool object_exists(hid_t object_id, const char *name) { + htri_t out = H5LTpath_valid(object_id, name, true); + if (out < 0) { + std::string error = + "Failed to check if object " + std::string(name) + " exists."; + mooseError(error); + } + return (out > 0); +} + +void get_shape(hid_t obj_id, hsize_t *dims) { + + auto type = H5Iget_type(obj_id); + hid_t dspace; + if (type == H5I_DATASET) { + dspace = H5Dget_space(obj_id); + } else if (type == H5I_ATTR) { + dspace = H5Aget_space(obj_id); + } else { + throw std::runtime_error{ + "Expected dataset or attribute in call to get_shape."}; + } + H5Sget_simple_extent_dims(dspace, dims, nullptr); + H5Sclose(dspace); +} + +std::string object_name(hid_t obj_id) { + // Determine size and create buffer + size_t size = 1 + H5Iget_name(obj_id, nullptr, 0); + char *buffer = new char[size]; + + // Read and return name + H5Iget_name(obj_id, buffer, size); + std::string str = buffer; + delete[] buffer; + return str; +} + +void ensure_exists(hid_t obj_id, const char *name, bool attribute) { + if (attribute) { + if (!attribute_exists(obj_id, name)) { + mooseError(fmt::format("Attribute \"{}\" does not exist in object {}", + name, object_name(obj_id))); + } + } else { + if (!object_exists(obj_id, name)) { + mooseError(fmt::format("Object \"{}\" does not exist in object {}", name, + object_name(obj_id))); + } + } +} + +hid_t file_open(const char *filename, char mode, bool parallel, + const MPI_Comm &comm) { + bool create; + unsigned int flags; + switch (mode) { + case 'r': + case 'a': + create = false; + flags = (mode == 'r' ? H5F_ACC_RDONLY : H5F_ACC_RDWR); + break; + case 'w': + case 'x': + create = true; + flags = (mode == 'x' ? H5F_ACC_EXCL : H5F_ACC_TRUNC); + break; + default: + mooseError(fmt::format("Invalid file mode: ", mode)); + } + + hid_t plist = H5P_DEFAULT; +#ifdef H5_HAVE_PARALLEL + if (parallel) { + // Setup file access property list with parallel I/O access + plist = H5Pcreate(H5P_FILE_ACCESS); + + H5Pset_fapl_mpio(plist, comm, MPI_INFO_NULL); + } +#endif + + // Open the file collectively + hid_t file_id; + if (create) { + file_id = H5Fcreate(filename, flags, H5P_DEFAULT, plist); + } else { + file_id = H5Fopen(filename, flags, plist); + } + if (file_id < 0) { + mooseError(fmt::format("Failed to open HDF5 file with mode '{}': {}", mode, + filename)); + } + +#ifdef H5_HAVE_PARALLEL + // Close the property list + if (parallel) + H5Pclose(plist); +#endif + + return file_id; +} + +void file_close(hid_t file_id) { H5Fclose(file_id); } + +hid_t open_group(hid_t group_id, const char *name) { + ensure_exists(group_id, name); + return H5Gopen(group_id, name, H5P_DEFAULT); +} + +hid_t open_group(hid_t group_id, const std::string &name) { + return open_group(group_id, name.c_str()); +} + +void close_group(hid_t group_id) { + if (H5Gclose(group_id) < 0) + mooseError("Failed to close group"); +} + +hid_t open_dataset(hid_t group_id, const char *name) { + ensure_exists(group_id, name); + return H5Dopen(group_id, name, H5P_DEFAULT); +} + +void close_dataset(hid_t dataset_id) { + if (H5Dclose(dataset_id) < 0) + mooseError("Failed to close dataset"); +} + +bool using_mpio_device(hid_t obj_id) { + + // Determine file that this object is part of + hid_t file_id = H5Iget_file_id(obj_id); + + // Get file access property list + hid_t fapl_id = H5Fget_access_plist(file_id); + + // Get low-level driver identifier + hid_t driver = H5Pget_driver(fapl_id); + + // Free resources + H5Pclose(fapl_id); + H5Fclose(file_id); + + return driver == H5FD_MPIO; +} + +void write_dataset_lowlevel(hid_t obj_id, const char *name, int ndim, + const hsize_t *dims, hid_t mem_type_id, + void *buffer, bool parallel, bool indep, + hid_t file_space_id) { + + hid_t dataset = obj_id; + if (name) { + dataset = open_dataset(obj_id, name); + } + // If array is given, create a simple dataspace. Otherwise, create a + // scalar datascape. + hid_t mem_space = H5Screate_simple(ndim, dims, NULL); + + if (parallel) { +#ifdef H5_HAVE_PARALLEL + // Set up collective vs independent I/O + auto data_xfer_mode = indep ? H5FD_MPIO_INDEPENDENT : H5FD_MPIO_COLLECTIVE; + + // Create dataset transfer property list + hid_t plist = H5Pcreate(H5P_DATASET_XFER); + H5Pset_dxpl_mpio(plist, data_xfer_mode); + + // Write data + H5Dwrite(dataset, mem_type_id, mem_space, file_space_id, plist, buffer); + H5Pclose(plist); +#endif + } else { + H5Dwrite(dataset, mem_type_id, mem_space, file_space_id, H5P_DEFAULT, + buffer); + } + + // Free resources + H5Sclose(mem_space); + if (name) { + H5Dclose(dataset); + } +} + +void read_dataset_lowlevel(hid_t obj_id, const char *name, hid_t mem_type_id, + hid_t mem_space_id, void *buffer, bool parallel, + bool indep, hid_t file_space_id) { + + hid_t dataset = obj_id; + if (name) { + dataset = open_dataset(obj_id, name); + } + + if (parallel) { +#ifdef H5_HAVE_PARALLEL + // Set up collective vs independent I/O + auto data_xfer_mode = indep ? H5FD_MPIO_INDEPENDENT : H5FD_MPIO_COLLECTIVE; + + // Create dataset transfer property list + hid_t plist = H5Pcreate(H5P_DATASET_XFER); + H5Pset_dxpl_mpio(plist, data_xfer_mode); + + // Read data + H5Dread(dataset, mem_type_id, mem_space_id, file_space_id, plist, buffer); + H5Pclose(plist); +#endif + } else { + H5Dread(dataset, mem_type_id, mem_space_id, file_space_id, H5P_DEFAULT, + buffer); + } + + if (name) { + H5Dclose(dataset); + } +} + +void read_double(hid_t obj_id, const char *name, double *buffer, bool parallel, + bool indep) { + read_dataset_lowlevel(obj_id, name, H5T_NATIVE_DOUBLE, H5S_ALL, buffer, + parallel, indep); +} + +void read_int(hid_t obj_id, const char *name, int *buffer, bool parallel, + bool indep) { + read_dataset_lowlevel(obj_id, name, H5T_NATIVE_INT, H5S_ALL, buffer, parallel, + indep); +} + +void read_double_hyperslab(hid_t obj_id, const char *name, hsize_t ndim, + hsize_t dims[], hsize_t start[], hsize_t count[], + double *results, bool parallel, bool indep) { + hid_t dataset = obj_id; + if (name) { + dataset = open_dataset(obj_id, name); + } + hid_t mem_space_id = H5Screate_simple(ndim, dims, nullptr); + + hid_t file_space_id = H5Dget_space(dataset); + + H5Sselect_hyperslab(file_space_id, H5S_SELECT_SET, start, nullptr, count, + nullptr); + + read_dataset_lowlevel(obj_id, name, H5T_NATIVE_DOUBLE, mem_space_id, results, + parallel, indep, file_space_id); + + H5Sclose(mem_space_id); + H5Sclose(file_space_id); + + if (name) { + H5Dclose(dataset); + } +} + +void write_double_hyperslab(hid_t obj_id, const char *name, hsize_t ndim, + hsize_t dims[], hsize_t start[], hsize_t count[], + double *results, bool parallel, bool indep) { + + hid_t dataset = obj_id; + if (name) { + dataset = open_dataset(obj_id, name); + } + hid_t file_space_id = H5Dget_space(dataset); + + H5Sselect_hyperslab(file_space_id, H5S_SELECT_SET, start, nullptr, count, + nullptr); + + write_dataset_lowlevel(obj_id, name, ndim, dims, H5T_NATIVE_DOUBLE, results, + parallel, indep, file_space_id); + + H5Sclose(file_space_id); + if (name) { + H5Dclose(dataset); + } +} + +} // namespace hdf5_utils From f1abda99562bc14a1c15d83b9f7591b550f02406 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 4 Sep 2025 13:02:41 +0100 Subject: [PATCH 015/169] Significantly improved commenting in FISPACTProblem --- include/problems/FispactProblem.h | 159 ++++++++++++++++--- src/problems/FispactProblem.C | 247 ++++++++++++++++-------------- 2 files changed, 265 insertions(+), 141 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index a159acf..91ef365 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -1,25 +1,17 @@ #pragma once + #include "ExternalProblem.h" -#include "fispactcompute.hpp" -#include "fispactelementaldata.hpp" -#include "fispactgroupconvert.hpp" -#include "fispactgroupstructures.hpp" #include "fispactinputdata.hpp" #include "fispactnucleardata.hpp" #include "fispactoutputdata.hpp" -#include "fispactutil.hpp" #include "libmesh/elem.h" #include "HDF5Utils.h" -#include -#include // Include for interprocess communication data structure #include "PhotonSharingData.h" -#include "libmesh/id_types.h" -// Use fp as short for fispact namespace fp = fispact; #ifdef LIBMESH_HAVE_BOOST @@ -27,7 +19,11 @@ namespace bi = boost::interprocess; #endif class FispactProblem : public ExternalProblem { - /// Struct to store Material definitions + + /** + * Struct to store FISPACT Material definitions + * + */ struct MaterialDefinition { std::string _mat_name; std::vector> _mat_atomic_composition; @@ -35,7 +31,6 @@ class FispactProblem : public ExternalProblem { }; public: - // Constructor for FispactProblem FispactProblem(const InputParameters ¶ms); static InputParameters validParams(); @@ -46,40 +41,103 @@ class FispactProblem : public ExternalProblem { virtual bool converged(unsigned int) override { return true; } private: + /** + * + * + * + */ static void load_callback(std::string key, std::string path, int i, int t) { std::cout << "\33[2K\r" << key << ": " << path << " [" << i << "/" << t << "]" << std::flush; } + /** + * + * + * + */ static void process_callback(std::string process_name, int i, int t) { std::cout << "\33[2K\r [" << i << "/" << t << "] " << process_name << std::flush; } + /** + * Set the nuclear data for FISPACT + * @param[in] nd_base_path The directory containing the various nuclear data + * resources required for fispact + * + */ void setNuclearData(std::string nd_base_path); - /// Read a neutron flux spectra from a hdf5 file + /** + * + * Read neutron flux spectra from an OpenMC statepoint file + * or a similarly organised HDF5 file. + * @param[in] filename the name of the statepoint/HDF5 file to read neutron + * flux from + * @param[in] elem_id the mesh element ID whose neutron flux spectra we wish + * to read + * @param[in] tally_id the OpenMC tally ID containing the neutron flux spectra + * @param[num_neutron_bins] the number of energy bins the neutron flux is + * binned over + * @return Vector of length num_neutron_bins containing the neutron flux + * spectra from elemenet elem_id + * + */ std::vector readElementNeutronFlux(const std::string &filename, const dof_id_type &elem_id, const int &tally_id, const int &num_neutron_bins); + /** + * Method to write calculated photon flux to a HDF5 file, primarily for + * debugging purposes. + * @param[in] filename the name of the resulting HDF5 file containing the + * photon flux + * + */ void writePhotonFlux(const std::string &filename); + /** + * Method used within @ref writePhotonFlux to write the photon energy bins + * used by FISPACT to the same HDF5 file + * @param[in] file_id the HDF5 file identifier for the file we are writing to + * @param[in] photon_bins a vector of doubles containing the photon energy + * bins used + * @param[in] parallel indicates whether or not to use the parallel HDF5 + * driver + */ void writePhotonFluxBins(hid_t file_id, std::vector &photon_bins, bool parallel); - void setFispactInputData(fp::FispactMonitor &monitor, fp::InputData &input, + /** + * + * Method used to set input parameters for a FISPACT activation calculation + * @param[in] monitor the FISPACT monitor object required by all FISPACT + * methods + * @param[in] material the material definition for the FISPACT calculation + * @param[in] neutron_flux the energy binned neutron flux + * @param[in] bins the energy bin boundaries for neutron flux + * @param[in] volume the volume in m^3 for the mesh element this FISPACT + * calculation corresponds to + * @param[out] input the now correctly setup FISPACT input object + */ + void setFispactInputData(fp::FispactMonitor &monitor, MaterialDefinition &material, std::vector &neutron_flux, - const std::vector &bins, double volume); + const std::vector &bins, double volume, + fp::InputData &input); /// Generate a log file name for the fispact logs std::string fispactLogName(); - // Initialise FISPACT monitor object + /// Initialise FISPACT monitor object void initFispactMonitor(std::string); + /** + * + * + */ void read_material_xml_data(); /** @@ -95,42 +153,88 @@ class FispactProblem : public ExternalProblem { */ void setFispactSchedule(fp::InputData &input); + /** + * Converts FISPACT gamma spectra outputs from MeV s^-1 to cm^-3 s^-1 + * @param[in] input FISPACT input + * @param[in] photon_spectra + * @param[in] photon_flux_bins + * @param[out] photons_per_cc_per_s + */ void convertGammaEvToCount(fp::InputData &input, const std::vector &photon_spectra, const std::vector &photon_flux_bins, std::vector &photons_per_cc_per_s); - + /** + * Calculates the total strength of one elements photon source term + * @param[in] element a ptr to the libmesh element whose strength we are + * calculating + * @param[in] element_flux the vector representing the energy binned photon + * flux for the relevent mesh element + * @return the total strength of the photon source term for this element + * + */ double calculateElementStrength(const libMesh::Elem *element, const std::vector element_flux); - + /** + * + */ void insertElementStrength(const libMesh::Elem *element, const std::vector element_flux); + /** + * + */ void updateLocalDomainStrength(const libMesh::Elem *element); - int calculateMemorySize(); - + /** + * + */ void printInventoryByHeat(fp::OutputData &output, int timestep_index, std::ostream &stream = std::cout); + /** + * + */ void printInventoryByMass(fp::OutputData &output, int timestep_index, std::ostream &stream); + /** + * + */ void printInvData(fp::OutputData &output, std::ostream &stream); + /** + * + */ void getTotalDomainStrength(); + /** + * + */ double extractHalflifeFromNuc(fp::NuclearData &nuclear_data, int zai); + /** + * + */ bool isFlux(std::vector &flux); + /** + * + */ void setNeutronBins(); - /// + + /** + * + */ void getPhotonBins(std::vector &photon_bins, fp::OutputData &fispact_output); - // -- Interprocess bits -- + /** + * + */ + int calculateMemorySize(); + /// -- Interprocess bits -- #ifdef LIBMESH_HAVE_BOOST bi::managed_shared_memory _segment; #endif @@ -144,9 +248,10 @@ class FispactProblem : public ExternalProblem { /// FISPACT neutron flux std::unordered_map> _neutron_fluxes; - // FISPACT Photon fluxes + /// FISPACT Photon fluxes std::unordered_map> _photon_fluxes; + /// std::unordered_map _element_strengths; /// hdf5 filename for neutron flux @@ -169,23 +274,33 @@ class FispactProblem : public ExternalProblem { /// Mappings from material name to material definitions std::unordered_map _mat_definitions; + /// MaterialDefinition &getElementMaterial(dof_id_type &elem_id); + /// std::string _neutron_bin_type; + /// std::vector _neutron_bins; + /// std::vector _photon_bins; + /// int _num_neutron_bins; + /// std::string _schedule_uo_name; + /// double _local_domain_strength; + /// double _total_domain_strength; + /// bool _write_photon_flux; + /// bool _comm_photon_flux; }; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index df39c8f..b9047a6 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -1,16 +1,18 @@ #include "ExternalProblem.h" #include "FispactProblem.h" -// Custom user object includes +/// Custom user object includes #include "FispactSchedule.h" #include "HDF5Utils.h" #include "MooseError.h" #include "MooseTypes.h" -// Fispact includes +/// Fispact includes #include "fispactcompute.hpp" #include "fispactconstantsapi.h" +#include "fispactelementaldata.hpp" +#include "fispactgroupconvert.hpp" #include "fispactgroupstructures.hpp" #include "fispactinputdata.hpp" #include "fispactnucleardata.hpp" @@ -18,14 +20,10 @@ #include "fispactoutputdataapi.h" #include "fispactutil.hpp" -#include "libmesh/elem.h" -#include "libmesh/id_types.h" -#include "mpi.h" - -/// PugiXML include +//// PugiXML include #include "pugixml.hpp" -// Cpp includes +/// Cpp includes #include #include #include @@ -41,7 +39,7 @@ registerMooseObject("FizzyApp", FispactProblem); InputParameters FispactProblem::validParams() { InputParameters params = ExternalProblem::validParams(); - // Suppress parameters we are not using + /// Suppress parameters we are not using params.suppressParameter("allow_invalid_solution"); params.suppressParameter("boundary_restricted_elem_integrity_check"); params.suppressParameter("boundary_restricted_node_integrity_check"); @@ -62,7 +60,7 @@ InputParameters FispactProblem::validParams() { params.suppressParameter("identify_variable_groups_in_nl"); params.suppressParameter>("linear_sys_names"); - // New parameters we need for FISPACT + /// New parameters we need for FISPACT params.addRequiredParam("neutron_flux_file", "HDF5 file storing neutron flux"); params.addRequiredParam( @@ -120,57 +118,65 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _write_photon_flux(getParam("write_photon_flux")), _comm_photon_flux(getParam("comm_photon_flux")) { - // Load materials from xml file if read_materials_from_xml is set to true, and - // a materials xml filename has been passed + /** + * Load materials from xml file if read_materials_from_xml is set to true, + * and a materials xml filename has been passed + */ if (_materials_from_xml) { if (!isParamSetByUser("materials_xml_file")) { mooseError("read_materials_from_xml is set to true, but " "materials_xml_file is not set!"); } - // Set file to get materials from + /// Set file to get materials from _materials_xml_file = getParam("materials_xml_file"); - // Populate _mat_definitions with materials from openmc xml + /// Populate _mat_definitions with materials from openmc xml read_material_xml_data(); } - // If write_photon_flux was set to true then check that user input a filename, - // if not use default + /** + * If write_photon_flux was set to true then check that user input a + * filename, if not use default + */ if (_write_photon_flux && !isParamSetByUser("photon_flux_filename")) { _console << "write_photon_flux is set to true but photon_flux_filename is " "not set! Photon flux filename defaulting to " + _photon_flux_filename; } - // Set neutron bin type + /// Set neutron bin type setNeutronBins(); - // Check a corresponding material exists for all mesh blocks + /// Check a corresponding material exists for all mesh blocks checkMaterialsExist(); - // Initialise FISPACT + /// Initialise FISPACT fp::GlobalInitialise(_fp_monitor); - // Get the path to our nuclear data + /// Get the path to our nuclear data std::string fp_nuclear_data_path = getParam("fispact_nuclear_data_path"); - // Set nuclear data paths + /// Set nuclear data paths setNuclearData(fp_nuclear_data_path); - // Read neutron flux from h5 file + /// Read neutron flux from h5 file if (_comm_photon_flux) { + #ifdef LIBMESH_HAVE_BOOST - // Give the shared memory region a name based on current MPI rank to - // prevent clashes + + /** + * Give the shared memory region a name based on current MPI rank to + * prevent clashes + */ std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - // Remove any shared memory region with a similar name just in case + /// Remove any shared memory region with a similar name just in case bi::shared_memory_object::remove(data_name.c_str()); - // Calculate space needed for shared mem region + /// Calculate space needed for shared mem region unsigned long shared_memory_size = calculateMemorySize(); - // Create shared memory region + /// Create shared memory region _segment = bi::managed_shared_memory(bi::create_only, data_name.c_str(), shared_memory_size); #else @@ -190,14 +196,14 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - // vector of all local domain strengths + /// vector of all local domain strengths std::vector local_domain_strengths; comm().allgather(_local_domain_strength, local_domain_strengths); - // calculate TotalDomainStrength + /// calculate TotalDomainStrength getTotalDomainStrength(); - // Create a shared instantiation of the photon sharing class + /// Create a shared instantiation of the photon sharing class PhotonSharingData *photon_sharing_instance = _segment.construct( "PhotonSharingData photon_sharing_instance")( @@ -215,14 +221,14 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { void FispactProblem::externalSolve() { - // Set up fispact input data + /// Set up fispact input data fp::InputData fispact_input(_fp_monitor); fp::OutputData fispact_output(_fp_monitor); int counter = 1; for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { - // Get element id + /// Get element id dof_id_type elem_id = element->id(); _console << "Elem ID: " << std::to_string(elem_id) << std::endl; @@ -231,26 +237,26 @@ void FispactProblem::externalSolve() { readElementNeutronFlux(_neutron_flux_filename, elem_id, _neutron_flux_tally_id, _num_neutron_bins); - // Output how many elements have been checked + /// Output how many elements have been checked _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() << std::endl; std::vector photon_spectra(24, 0); - // Check if there is any neutron flux in current element + /// Check if there is any neutron flux in current element bool is_flux = isFlux(neutron_flux); - // If there is flux in the element, run FISPACT + /// If there is flux in the element, run FISPACT if (is_flux) { - // Here we are assuming the input mesh is in centimeters + /// Here we are assuming the input mesh is in centimeters double element_volume = element->volume(); - // Get element material definition + /// Get element material definition MaterialDefinition &el_mat = getElementMaterial(elem_id); - setFispactInputData(_fp_monitor, fispact_input, el_mat, neutron_flux, - _neutron_bins, element_volume); - // Run FISPACT + setFispactInputData(_fp_monitor, el_mat, neutron_flux, _neutron_bins, + element_volume, fispact_input); + /// Run FISPACT fp::Process(fispact_input, _fp_nuclear_data, fispact_output, _fp_monitor, process_callback); @@ -261,31 +267,32 @@ void FispactProblem::externalSolve() { _photon_fluxes.insert( std::pair>(elem_id, photon_spectra)); - - // Calculate photon source strength of this element and insert it into - // _element_strengths map + /** + * Calculate photon source strength of this element and insert it into + * _element_strengths map + */ insertElementStrength(element, _photon_fluxes.at(elem_id)); - // Add calculated element strength to _local_domain_strength + /// Add calculated element strength to _local_domain_strength updateLocalDomainStrength(element); } getPhotonBins(_photon_bins, fispact_output); writePhotonFlux(_photon_flux_filename); - // writePhotonFluxToHDF5(_photon_flux_filename, fispact_output); fp::GlobalFinalise(_fp_monitor); } void FispactProblem::writePhotonFlux(const std::string &filename) { - -// Do use MPI HDF5 driver, as we are calling H5Dcreate on each rank the same -// number of times +/** + * Do use MPI HDF5 driver, as we are calling H5Dcreate on each rank the same + * number of times + */ #ifdef H5_HAVE_PARALLEL bool parallel = true; #elif parallel = false; #endif - // Open OpenMC statepoint file with Neutron Flux + /// Open OpenMC statepoint file with Neutron Flux hid_t file_id = hdf5_utils::file_open(filename.c_str(), 'w', parallel, comm().get()); @@ -296,7 +303,7 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { int y_dim = 24; hsize_t dataspace_dims[ndim]; - // Set up dimensions for photon flux dataspace + /// Set up dimensions for photon flux dataspace dataspace_dims[0] = x_dim; dataspace_dims[1] = y_dim; @@ -307,34 +314,35 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { H5Sclose(filespace); for (auto &element_flux_pair : _photon_fluxes) { + /** + * CONTEXT: A hyperslab is a section of a hdf5 dataspace, don't be put off + * by the fancy name + */ - // CONTEXT: A hyperslab is a section of a hdf5 dataspace, don't be put off - // by the fancy name - - // Create hdf5 dataspace to be our memory space for writing + /// Create hdf5 dataspace to be our memory space for writing hsize_t hyperslab_dims[2] = {1, y_dim}; - // Retrieve element id from _photon_fluxes map + /// Retrieve element id from _photon_fluxes map hsize_t element_id = (hsize_t)element_flux_pair.first; - // offset and count are used to select our hyperslab. - // Given the dimensions of the dataspace are num_elems * 24, our offset - // selection should be the element_id who's flux we wish to write + /** + * offset and count are used to select our hyperslab. + * Given the dimensions of the dataspace are num_elems * 24, our offset + * selection should be the element_id who's flux we wish to write + */ hsize_t start[2] = {element_id, 0}; - // count specifies the number of entries we wish to write in each - // dimension + /// count specifies the number of entries we wish to write in each dimension hsize_t count[2] = {1, 24}; hdf5_utils::write_double_hyperslab(h5_dataset, nullptr, ndim, hyperslab_dims, start, count, element_flux_pair.second.data(), true); } - // writePhotonFluxBins(file_id, fispact_output); - // Close all the HDF5 bits and pieces + /// Close all the HDF5 bits and pieces H5Dclose(h5_dataset); - // Write bins to hdf5 file as well + /// Write bins to hdf5 file as well writePhotonFluxBins(file_id, _photon_bins, parallel); H5Fclose(file_id); @@ -344,17 +352,17 @@ void FispactProblem::writePhotonFluxBins(hid_t file_id, std::vector &photon_bins, bool parallel) { - // Set up hsize_t object to hold dataset dimensions + /// Set up hsize_t object to hold dataset dimensions int ndim = 1; hsize_t bin_dataset_dims[ndim]; bin_dataset_dims[0] = photon_bins.size(); std::string dataset_name = "photon_bins"; - // Create a dataspace for the photon bins + /// Create a dataspace for the photon bins hid_t filespace_photon_bins = H5Screate_simple(1, bin_dataset_dims, NULL); - // Create a dataset for the photon bins using the dataspace + /// Create a dataset for the photon bins using the dataspace hid_t h5_dataset_photon_bins = H5Dcreate(file_id, dataset_name.c_str(), H5T_NATIVE_DOUBLE, filespace_photon_bins, H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); @@ -363,18 +371,6 @@ void FispactProblem::writePhotonFluxBins(hid_t file_id, hdf5_utils::write_dataset_lowlevel(file_id, dataset_name.c_str(), ndim, bin_dataset_dims, H5T_NATIVE_DOUBLE, photon_bins.data(), parallel); - // // Set up transfer properties - // hid_t plist_id = H5Pcreate(H5P_DATASET_XFER); - // H5Pset_dxpl_mpio(plist_id, H5FD_MPIO_INDEPENDENT); - // - // // Only write the photon bins out on rank 0, we don't need to write it from - // // all of them - // if (ExternalProblem::comm().rank() == 0) { - // H5Dwrite(h5_dataset_photon_bins, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, - // plist_id, photon_bins.data()); - // } - // H5Sclose(filespace_photon_bins); - // H5Pclose(plist_id); } void FispactProblem::getPhotonBins(std::vector &photon_bins, @@ -386,7 +382,7 @@ void FispactProblem::getPhotonBins(std::vector &photon_bins, if (bin < 0.01) { continue; } - // Change bins to MeV; + /// Change bins to MeV; bin *= 1e6; } } @@ -394,34 +390,36 @@ void FispactProblem::getPhotonBins(std::vector &photon_bins, std::vector FispactProblem::readElementNeutronFlux( const std::string &filename, const dof_id_type &elem_id, const int &tally_id, const int &num_neutron_bins) { - // Don't do this with HDF5 MPI driver, as we are going to call H5Dopen a - // different number of times on each rank! + /** + * Don't do this with HDF5 MPI driver, as we are going to call H5Dopen a + * different number of times on each rank! + */ bool parallel = false; - // Open OpenMC statepoint file with Neutron Flux + /// Open OpenMC statepoint file with Neutron Flux hid_t file_id = hdf5_utils::file_open(filename.c_str(), 'r', parallel, comm().get()); - // Open up tallies group in HDF5 file + /// Open up tallies group in HDF5 file hid_t tallies_group_id = hdf5_utils::open_group(file_id, "tallies"); - // Open up the neutron flux tally group within the tallies group + /// Open up the neutron flux tally group within the tallies group std::string tally_group_name = "tally " + std::to_string(tally_id); hid_t neutron_tally_group_id = hdf5_utils::open_group(tallies_group_id, tally_group_name); - // Define size of selection of neutron flux + /// Define size of selection of neutron flux hsize_t dims[3]{static_cast(num_neutron_bins), 1, 1}; hsize_t start[]{elem_id * num_neutron_bins, 0, 0}; hsize_t count[]{static_cast(num_neutron_bins), 1, 1}; - // Get number of tally realizations + /// Get number of tally realizations int n_realizations; hdf5_utils::read_int(neutron_tally_group_id, "n_realizations", &n_realizations, parallel, true); std::vector neutron_flux_results(_num_neutron_bins, 0); - // Number of dimensions of hyperslab to read + /// Number of dimensions of hyperslab to read hsize_t rank = 3; hdf5_utils::read_double_hyperslab(neutron_tally_group_id, "results", rank, dims, start, count, @@ -432,8 +430,10 @@ std::vector FispactProblem::readElementNeutronFlux( hdf5_utils::file_close(file_id); - // Divide every value in neutron flux results vector by n_realizations to get - // the mean value + /** + * Divide every value in neutron flux results vector by n_realizations to get + * the mean value + */ for (auto &bin : neutron_flux_results) { bin /= n_realizations; } @@ -441,27 +441,27 @@ std::vector FispactProblem::readElementNeutronFlux( return neutron_flux_results; } -// To do: Break up this function into setFispactInputFlux and -// setFispactInputMaterial +/** + * TODO: Break up this function into setFispactInputFlux and + * setFispactInputMaterial + */ void FispactProblem::setFispactInputData(fp::FispactMonitor &monitor, - fp::InputData &input, MaterialDefinition &material, std::vector &neutron_flux, const std::vector &bins, - double volume) { - // Set neutron flux + double volume, fp::InputData &input) { + /// Set neutron flux input.setFlux(bins, neutron_flux); input.setFluxWallLoading(1.0); input.setFluxName("neutrons"); - // get density from mat density + /// get density from mat density input.setDensity(material._mat_density); input.setAtomsThreshold(1.0e3); - // Volume read in is in cm ^ 3, so we need to scale by 1e-6, as mass is in - // kg + /// Volume read in is in cm ^ 3, so we need to scale by 1e-6, as mass is in kg double total_mass = material._mat_density * volume * 1e-6; input.setMassTotal(total_mass); @@ -501,7 +501,7 @@ FispactProblem::getElementMaterial(dof_id_type &elem_id) { const std::string &subdomain_name = _mesh.getSubdomainName(elem->subdomain_id()); - // Return material definition if it exists, otherwise throw error + /// Return material definition if it exists, otherwise throw error if (_mat_definitions.find(subdomain_name) != _mat_definitions.end()) { return _mat_definitions.at(subdomain_name); @@ -511,11 +511,14 @@ FispactProblem::getElementMaterial(dof_id_type &elem_id) { } bool FispactProblem::isFlux(std::vector &flux) { - // Check if there is any neutron flux in current element + /// Check if there is any neutron flux in current element bool is_zero_flux = std::all_of(flux.begin(), flux.end(), [](double j) { return j == 0; }); - // return true if there is flux, false if there isn't, as the function name - // implies + + /** + * return true if there is flux, false if there isn't, as the function name + * implies + */ return !is_zero_flux; } @@ -529,13 +532,13 @@ void FispactProblem::read_material_xml_data() { } for (pugi::xml_node material : doc.child("materials").children()) { - // Get material name + /// Get material name std::string material_name = material.attribute("name").value(); - // Get material density + /// Get material density double density = std::stod(material.child("density").attribute("value").value()); - // Get atomic composition of material + /// Get atomic composition of material std::vector> atomic_comp; for (pugi::xml_node nuclide : material.children("nuclide")) { @@ -545,9 +548,9 @@ void FispactProblem::read_material_xml_data() { atomic_comp.push_back(nuclide_symbol_and_percentage); } - // Create material definition + /// Create material definition MaterialDefinition material_def{material_name, atomic_comp, density}; - // Insert material definition into material map + /// Insert material definition into material map _mat_definitions.insert(std::make_pair(material_name, material_def)); } } @@ -561,17 +564,17 @@ void FispactProblem::setNeutronBins() { void FispactProblem::checkMaterialsExist() { - // Fetch all subdomain ID's from libmesh + /// Fetch all subdomain ID's from libmesh std::vector subdomain_ids; for (auto &subdomain_id : _mesh.meshSubdomains()) { subdomain_ids.push_back(subdomain_id); } - // Fetch all subdomain names using libmesh + /// Fetch all subdomain names using libmesh std::vector subdomain_names = _mesh.getSubdomainNames(subdomain_ids); - // Check that for all subdomain names there is an associated material + /// Check that for all subdomain names there is an associated material for (auto &subdomain_name : subdomain_names) { if (_mat_definitions.find(subdomain_name) == _mat_definitions.end()) { mooseError("Block " + subdomain_name + @@ -585,20 +588,22 @@ void FispactProblem::convertGammaEvToCount( const std::vector &photon_flux_bins, std::vector &photons_per_cc_per_s) { - // Reserve memory for photons per cc per s vector + /// Reserve memory for photons per cc per s vector photons_per_cc_per_s.resize(photon_spectra.size()); - // Get inventory density and mass + /// Get inventory density and mass double inv_density = input.getDensity(); double inv_mass = input.getMassTotal(); - // Convert from MeV/s to per cc per s for each bin + /// Convert from MeV/s to per cc per s for each bin for (int i = 0; i < photon_spectra.size(); i++) { double bin_energy = photon_flux_bins[i] + ((photon_flux_bins[i + 1] - photon_flux_bins[i]) / 2); - // per_cc_per_s = MeV/s * (inventory_density/(inventory_mass * - // energy_bin_midpoint)) + /** + * per_cc_per_s = MeV/s * (inventory_density/(inventory_mass * + * energy_bin_midpoint)) + */ double per_cc_per_s = photon_spectra[i] * (inv_density / (inv_mass * bin_energy)); @@ -628,8 +633,10 @@ void FispactProblem::insertElementStrength( void FispactProblem::updateLocalDomainStrength(const libMesh::Elem *element) { double element_strength; - // Attempt to retrieve element strength from map, otherwise catch exception - // and give a useful error + /** + * Attempt to retrieve element strength from map, otherwise catch exception + * and give a useful error + */ try { element_strength = _element_strengths.at(element->id()); } catch (std::out_of_range) { @@ -647,7 +654,7 @@ void FispactProblem::getTotalDomainStrength() { } int FispactProblem::calculateMemorySize() { - // Get number of active local elements + /// Get number of active local elements int n_local_elem = _mesh.getMesh().n_active_local_elem(); unsigned long photon_flux_map_size = @@ -659,8 +666,10 @@ int FispactProblem::calculateMemorySize() { unsigned long memory_size = photon_flux_map_size + element_strengths_map_size + (sizeof(int) * 2) + (sizeof(double) * 2); - // Really naive way of doing this, but currently giving a 20% buffer to - // account for the memory space required by Boost allocators and such + /** + * Really naive way of doing this, but currently giving a 20% buffer to + * account for the memory space required by Boost allocators and such + */ return memory_size * 2; } From d421b7f2363da8b4808dd8cfe7c8be62fdd697a9 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 16 Sep 2025 15:59:47 +0100 Subject: [PATCH 016/169] Fixed wrong or non const method defintions --- include/problems/FispactProblem.h | 64 ++++++++++++++++++++----------- 1 file changed, 41 insertions(+), 23 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 91ef365..b39b7d9 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -67,7 +67,7 @@ class FispactProblem : public ExternalProblem { * resources required for fispact * */ - void setNuclearData(std::string nd_base_path); + void setNuclearData(const std::string &nd_base_path); /** * @@ -86,8 +86,7 @@ class FispactProblem : public ExternalProblem { */ std::vector readElementNeutronFlux(const std::string &filename, const dof_id_type &elem_id, - const int &tally_id, - const int &num_neutron_bins); + const int &tally_id) const; /** * Method to write calculated photon flux to a HDF5 file, primarily for @@ -107,8 +106,7 @@ class FispactProblem : public ExternalProblem { * @param[in] parallel indicates whether or not to use the parallel HDF5 * driver */ - void writePhotonFluxBins(hid_t file_id, std::vector &photon_bins, - bool parallel); + void writePhotonFluxBins(const hid_t &file_id, const bool parallel); /** * @@ -122,18 +120,14 @@ class FispactProblem : public ExternalProblem { * calculation corresponds to * @param[out] input the now correctly setup FISPACT input object */ - void setFispactInputData(fp::FispactMonitor &monitor, - MaterialDefinition &material, - std::vector &neutron_flux, - const std::vector &bins, double volume, - fp::InputData &input); + void setFispactInputData(const fp::FispactMonitor &monitor, + const MaterialDefinition &material, + const std::vector &neutron_flux, + const double &volume, fp::InputData &input) const; /// Generate a log file name for the fispact logs std::string fispactLogName(); - /// Initialise FISPACT monitor object - void initFispactMonitor(std::string); - /** * * @@ -146,12 +140,12 @@ class FispactProblem : public ExternalProblem { * start as opposed to running into a subdomain lacking a material half way * through the solve. */ - void checkMaterialsExist(); + void checkMaterialsExist() const; /** * Retrieve Fispact radiation schedule from FispactSchedule UserObject */ - void setFispactSchedule(fp::InputData &input); + void setFispactSchedule(fp::InputData &input) const; /** * Converts FISPACT gamma spectra outputs from MeV s^-1 to cm^-3 s^-1 @@ -160,9 +154,8 @@ class FispactProblem : public ExternalProblem { * @param[in] photon_flux_bins * @param[out] photons_per_cc_per_s */ - void convertGammaEvToCount(fp::InputData &input, + void convertGammaEvToCount(const fp::InputData &input, const std::vector &photon_spectra, - const std::vector &photon_flux_bins, std::vector &photons_per_cc_per_s); /** * Calculates the total strength of one elements photon source term @@ -216,7 +209,7 @@ class FispactProblem : public ExternalProblem { /** * */ - bool isFlux(std::vector &flux); + bool isFlux(const std::vector &flux) const; /** * @@ -226,14 +219,39 @@ class FispactProblem : public ExternalProblem { /** * */ - void getPhotonBins(std::vector &photon_bins, - fp::OutputData &fispact_output); + void setPhotonBins(const fp::OutputData &fispact_output); + + /** + * + */ + std::vector &getNeutronBins() { + if (_neutron_bins.empty()) { + mooseError("_neutron_bins not set, so could not be gotten"); + } + return _neutron_bins; + } + /** + * + */ + std::vector &getPhotonBins() { + if (_photon_bins.empty()) { + mooseError("_photon_bins not set, so could not be gotten"); + } + return _photon_bins; + } /** * */ int calculateMemorySize(); + /** + * Method to generate name of the interprocess memory segment generated by + * this MPI rank + * @param[out] ipc_name Reference to the string we want to populate + */ + const std::string generateInterprocessName(); + /// -- Interprocess bits -- #ifdef LIBMESH_HAVE_BOOST bi::managed_shared_memory _segment; @@ -265,9 +283,6 @@ class FispactProblem : public ExternalProblem { bool _materials_from_xml; - /// Boolean to determine whether a rank is still running FISPACT calculations - bool _calculating = true; - /// Filename of xml file to read materials from std::string _materials_xml_file; @@ -303,4 +318,7 @@ class FispactProblem : public ExternalProblem { /// bool _comm_photon_flux; + + /// name given to the interprocess memory segment generated by this rank + const std::string _interprocess_segment_name; }; From a7fe99e79602b621c4975c5e81b6cd37cb94bbfe Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 16 Sep 2025 16:01:18 +0100 Subject: [PATCH 017/169] Changed string parameter definitions to FileName, and corrected wrong method parameters --- src/problems/FispactProblem.C | 149 ++++++++++++++++++---------------- 1 file changed, 77 insertions(+), 72 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index b9047a6..bdd9ffa 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -34,6 +34,8 @@ #include #include +#include + registerMooseObject("FizzyApp", FispactProblem); InputParameters FispactProblem::validParams() { @@ -61,17 +63,14 @@ InputParameters FispactProblem::validParams() { params.suppressParameter>("linear_sys_names"); /// New parameters we need for FISPACT - params.addRequiredParam("neutron_flux_file", - "HDF5 file storing neutron flux"); + params.addRequiredParam("neutron_flux_file", + "HDF5 file storing neutron flux"); params.addRequiredParam( "neutron_flux_tally_id", "Path within HDF5 file for the vector storing neutron flux"); - params.addRequiredParam("fispact_nuclear_data_path", - "Path to FISPACT nuclear data"); - - params.addRequiredParam("fispact_nuclear_data_path", - "Path to FISPACT nuclear data"); + params.addRequiredParam("fispact_nuclear_data_path", + "Path to FISPACT nuclear data"); params.addRequiredParam("neutron_bin_type", "neutron binning scheme for FISPACT"); @@ -85,7 +84,7 @@ InputParameters FispactProblem::validParams() { "Parameter determining whether user wishes to read materaial nuclide " "compositions from openMC XML file"); - params.addParam( + params.addParam( "materials_xml_file", "materials.xml", "Path and name of material xml file user wishes to use."); @@ -94,7 +93,7 @@ InputParameters FispactProblem::validParams() { "Boolean value used to determine whether to wite photon spectra to hdf5 " "after Fizzy has finished running."); - params.addParam( + params.addParam( "photon_flux_filename", "photon_flux.h5", "Filename for the h5 file containing the output photon spectra"); @@ -108,15 +107,18 @@ InputParameters FispactProblem::validParams() { FispactProblem::FispactProblem(const InputParameters ¶ms) : ExternalProblem(params), _fp_monitor(fispactLogName()), _fp_nuclear_data(_fp_monitor), - _neutron_flux_filename(getParam("neutron_flux_file")), + _neutron_flux_filename(getParam("neutron_flux_file")), + _fp_nuclear_data_path(getParam("fispact_nuclear_data_path")), _neutron_flux_tally_id(getParam("neutron_flux_tally_id")), - _photon_flux_filename(getParam("photon_flux_filename")), + _photon_flux_filename(getParam("photon_flux_filename")), _materials_from_xml(getParam("read_materials_from_xml")), + _materials_xml_file(getParam("materials_xml_file")), _neutron_bin_type(getParam("neutron_bin_type")), _schedule_uo_name(getParam("fispact_schedule_uo")), _local_domain_strength(0), _total_domain_strength(0), _write_photon_flux(getParam("write_photon_flux")), - _comm_photon_flux(getParam("comm_photon_flux")) { + _comm_photon_flux(getParam("comm_photon_flux")), + _interprocess_segment_name(generateInterprocessName()) { /** * Load materials from xml file if read_materials_from_xml is set to true, @@ -124,11 +126,10 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) */ if (_materials_from_xml) { if (!isParamSetByUser("materials_xml_file")) { - mooseError("read_materials_from_xml is set to true, but " - "materials_xml_file is not set!"); + mooseWarning("read_materials_from_xml is set to true, but " + "materials_xml_file is not set! Defaulting to " + + _materials_xml_file); } - /// Set file to get materials from - _materials_xml_file = getParam("materials_xml_file"); /// Populate _mat_definitions with materials from openmc xml read_material_xml_data(); } @@ -152,32 +153,23 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) /// Initialise FISPACT fp::GlobalInitialise(_fp_monitor); - /// Get the path to our nuclear data - std::string fp_nuclear_data_path = - getParam("fispact_nuclear_data_path"); - /// Set nuclear data paths - setNuclearData(fp_nuclear_data_path); + setNuclearData(_fp_nuclear_data_path); /// Read neutron flux from h5 file if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST - /** - * Give the shared memory region a name based on current MPI rank to - * prevent clashes - */ - std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - /// Remove any shared memory region with a similar name just in case - bi::shared_memory_object::remove(data_name.c_str()); + bi::shared_memory_object::remove(_interprocess_segment_name.c_str()); /// Calculate space needed for shared mem region unsigned long shared_memory_size = calculateMemorySize(); /// Create shared memory region - _segment = bi::managed_shared_memory(bi::create_only, data_name.c_str(), + _segment = bi::managed_shared_memory(bi::create_only, + _interprocess_segment_name.c_str(), shared_memory_size); #else mooseError("_comm_photon_flux is set to true but libmesh was not built " @@ -192,10 +184,6 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST - unsigned long shared_memory_size = calculateMemorySize(); - - std::string data_name = "SHARING_DATA_" + std::to_string(comm().rank()); - /// vector of all local domain strengths std::vector local_domain_strengths; comm().allgather(_local_domain_strength, local_domain_strengths); @@ -233,9 +221,8 @@ void FispactProblem::externalSolve() { _console << "Elem ID: " << std::to_string(elem_id) << std::endl; - std::vector neutron_flux = - readElementNeutronFlux(_neutron_flux_filename, elem_id, - _neutron_flux_tally_id, _num_neutron_bins); + std::vector neutron_flux = readElementNeutronFlux( + _neutron_flux_filename, elem_id, _neutron_flux_tally_id); /// Output how many elements have been checked _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() @@ -254,15 +241,21 @@ void FispactProblem::externalSolve() { /// Get element material definition MaterialDefinition &el_mat = getElementMaterial(elem_id); - setFispactInputData(_fp_monitor, el_mat, neutron_flux, _neutron_bins, - element_volume, fispact_input); + setFispactInputData(_fp_monitor, el_mat, neutron_flux, element_volume, + fispact_input); /// Run FISPACT fp::Process(fispact_input, _fp_nuclear_data, fispact_output, _fp_monitor, process_callback); - convertGammaEvToCount( - fispact_input, fispact_output.getGammaSpectrumBins(1), - fispact_output.getGammaSpectrumBoundaries(0), photon_spectra); + /// If photon bins aren't set yet, set them + if (_photon_bins.empty()) { + + setPhotonBins(fispact_output); + } + + convertGammaEvToCount(fispact_input, + fispact_output.getGammaSpectrumBins(1), + photon_spectra); } _photon_fluxes.insert( @@ -277,7 +270,6 @@ void FispactProblem::externalSolve() { updateLocalDomainStrength(element); } - getPhotonBins(_photon_bins, fispact_output); writePhotonFlux(_photon_flux_filename); fp::GlobalFinalise(_fp_monitor); } @@ -343,14 +335,15 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { H5Dclose(h5_dataset); /// Write bins to hdf5 file as well - writePhotonFluxBins(file_id, _photon_bins, parallel); + writePhotonFluxBins(file_id, parallel); H5Fclose(file_id); } -void FispactProblem::writePhotonFluxBins(hid_t file_id, - std::vector &photon_bins, - bool parallel) { +void FispactProblem::writePhotonFluxBins(const hid_t &file_id, + const bool parallel) { + /// Check _photon_bins are actually set + std::vector &photon_bins = getPhotonBins(); /// Set up hsize_t object to hold dataset dimensions int ndim = 1; @@ -373,12 +366,11 @@ void FispactProblem::writePhotonFluxBins(hid_t file_id, photon_bins.data(), parallel); } -void FispactProblem::getPhotonBins(std::vector &photon_bins, - fp::OutputData &fispact_output) { +void FispactProblem::setPhotonBins(const fp::OutputData &fispact_output) { - photon_bins = fispact_output.getGammaSpectrumBoundaries(0); + _photon_bins = fispact_output.getGammaSpectrumBoundaries(0); - for (auto &bin : photon_bins) { + for (auto &bin : _photon_bins) { if (bin < 0.01) { continue; } @@ -387,9 +379,10 @@ void FispactProblem::getPhotonBins(std::vector &photon_bins, } } -std::vector FispactProblem::readElementNeutronFlux( - const std::string &filename, const dof_id_type &elem_id, - const int &tally_id, const int &num_neutron_bins) { +std::vector +FispactProblem::readElementNeutronFlux(const std::string &filename, + const dof_id_type &elem_id, + const int &tally_id) const { /** * Don't do this with HDF5 MPI driver, as we are going to call H5Dopen a * different number of times on each rank! @@ -408,9 +401,9 @@ std::vector FispactProblem::readElementNeutronFlux( hdf5_utils::open_group(tallies_group_id, tally_group_name); /// Define size of selection of neutron flux - hsize_t dims[3]{static_cast(num_neutron_bins), 1, 1}; - hsize_t start[]{elem_id * num_neutron_bins, 0, 0}; - hsize_t count[]{static_cast(num_neutron_bins), 1, 1}; + hsize_t dims[3]{static_cast(_num_neutron_bins), 1, 1}; + hsize_t start[]{elem_id * _num_neutron_bins, 0, 0}; + hsize_t count[]{static_cast(_num_neutron_bins), 1, 1}; /// Get number of tally realizations int n_realizations; @@ -445,13 +438,13 @@ std::vector FispactProblem::readElementNeutronFlux( * TODO: Break up this function into setFispactInputFlux and * setFispactInputMaterial */ -void FispactProblem::setFispactInputData(fp::FispactMonitor &monitor, - MaterialDefinition &material, - std::vector &neutron_flux, - const std::vector &bins, - double volume, fp::InputData &input) { +void FispactProblem::setFispactInputData( + const fp::FispactMonitor &monitor, const MaterialDefinition &material, + const std::vector &neutron_flux, const double &volume, + fp::InputData &input) const { + /// Set neutron flux - input.setFlux(bins, neutron_flux); + input.setFlux(_neutron_bins, neutron_flux); input.setFluxWallLoading(1.0); @@ -486,7 +479,8 @@ void FispactProblem::setFispactInputData(fp::FispactMonitor &monitor, setFispactSchedule(input); } -void FispactProblem::setFispactSchedule(fp::InputData &input) { +void FispactProblem::setFispactSchedule(fp::InputData &input) const { + FispactSchedule &schedule = getUserObject(_schedule_uo_name); const std::vector &flux_schedule = schedule.getFluxSchedule(); @@ -502,15 +496,14 @@ FispactProblem::getElementMaterial(dof_id_type &elem_id) { _mesh.getSubdomainName(elem->subdomain_id()); /// Return material definition if it exists, otherwise throw error - if (_mat_definitions.find(subdomain_name) != _mat_definitions.end()) { - return _mat_definitions.at(subdomain_name); - - } else { + if (_mat_definitions.find(subdomain_name) == _mat_definitions.end()) { mooseError("No FISPACT material named " + subdomain_name + " was found."); } + + return _mat_definitions.at(subdomain_name); } -bool FispactProblem::isFlux(std::vector &flux) { +bool FispactProblem::isFlux(const std::vector &flux) const { /// Check if there is any neutron flux in current element bool is_zero_flux = std::all_of(flux.begin(), flux.end(), [](double j) { return j == 0; }); @@ -560,9 +553,10 @@ void FispactProblem::setNeutronBins() { _neutron_bins = fp::groups::G1102(); _num_neutron_bins = 1102; } + /// TODO: Add more bins types } -void FispactProblem::checkMaterialsExist() { +void FispactProblem::checkMaterialsExist() const { /// Fetch all subdomain ID's from libmesh std::vector subdomain_ids; @@ -584,8 +578,7 @@ void FispactProblem::checkMaterialsExist() { } void FispactProblem::convertGammaEvToCount( - fp::InputData &input, const std::vector &photon_spectra, - const std::vector &photon_flux_bins, + const fp::InputData &input, const std::vector &photon_spectra, std::vector &photons_per_cc_per_s) { /// Reserve memory for photons per cc per s vector @@ -595,6 +588,7 @@ void FispactProblem::convertGammaEvToCount( double inv_density = input.getDensity(); double inv_mass = input.getMassTotal(); + const std::vector &photon_flux_bins = getPhotonBins(); /// Convert from MeV/s to per cc per s for each bin for (int i = 0; i < photon_spectra.size(); i++) { double bin_energy = photon_flux_bins[i] + @@ -680,7 +674,7 @@ std::string FispactProblem::fispactLogName() { return log_name; } -void FispactProblem::setNuclearData(std::string nd_base_path) { +void FispactProblem::setNuclearData(const std::string &nd_base_path) { fp::io::NuclearDataReader nd_reader(_fp_monitor); nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, @@ -707,3 +701,14 @@ void FispactProblem::setNuclearData(std::string nd_base_path) { nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); } + +const std::string FispactProblem::generateInterprocessName() { + char mpi_proc_name[MPI_MAX_PROCESSOR_NAME]; + int len = 0; + int err = MPI_Get_processor_name(mpi_proc_name, &len); + + std::string ipc_name = std::string(mpi_proc_name); + ipc_name += "_" + std::to_string(comm().rank()); + + return ipc_name; +} From 3cac5cabdfadffd237cce0972611b01ad77341f7 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 16 Sep 2025 16:09:10 +0100 Subject: [PATCH 018/169] Fixed init order --- include/problems/FispactProblem.h | 3 +++ src/problems/FispactProblem.C | 2 +- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index b39b7d9..0447784 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -272,6 +272,9 @@ class FispactProblem : public ExternalProblem { /// std::unordered_map _element_strengths; + /// Fispact nuclear data path + std::string _fp_nuclear_data_path; + /// hdf5 filename for neutron flux std::string _neutron_flux_filename; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index bdd9ffa..6a2d29b 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -107,8 +107,8 @@ InputParameters FispactProblem::validParams() { FispactProblem::FispactProblem(const InputParameters ¶ms) : ExternalProblem(params), _fp_monitor(fispactLogName()), _fp_nuclear_data(_fp_monitor), - _neutron_flux_filename(getParam("neutron_flux_file")), _fp_nuclear_data_path(getParam("fispact_nuclear_data_path")), + _neutron_flux_filename(getParam("neutron_flux_file")), _neutron_flux_tally_id(getParam("neutron_flux_tally_id")), _photon_flux_filename(getParam("photon_flux_filename")), _materials_from_xml(getParam("read_materials_from_xml")), From d4fd6efdd43ab8cfcd3c4e3ee5bb1df227934bea Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 14 Oct 2025 15:15:53 +0100 Subject: [PATCH 019/169] Added num_photon_bins parameter, mainly to make code more descriptive --- include/problems/FispactProblem.h | 3 +++ src/problems/FispactProblem.C | 34 +++++++++++++++++++------------ 2 files changed, 24 insertions(+), 13 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 0447784..83f4982 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -307,6 +307,9 @@ class FispactProblem : public ExternalProblem { /// int _num_neutron_bins; + /// + int _num_photon_bins; + /// std::string _schedule_uo_name; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 6a2d29b..0819590 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -97,6 +97,10 @@ InputParameters FispactProblem::validParams() { "photon_flux_filename", "photon_flux.h5", "Filename for the h5 file containing the output photon spectra"); + params.addParam( + "num_photon_bins", 24, + "The number of bins to sort the output photon flux into"); + params.addParam( "comm_photon_flux", false, "Boolean value used to indicate whether to use boost::interprocess to " @@ -114,6 +118,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _materials_from_xml(getParam("read_materials_from_xml")), _materials_xml_file(getParam("materials_xml_file")), _neutron_bin_type(getParam("neutron_bin_type")), + _num_photon_bins(getParam("num_photon_bins")), _schedule_uo_name(getParam("fispact_schedule_uo")), _local_domain_strength(0), _total_domain_strength(0), _write_photon_flux(getParam("write_photon_flux")), @@ -184,18 +189,20 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { if (_comm_photon_flux) { #ifdef LIBMESH_HAVE_BOOST - /// vector of all local domain strengths + /// Create vector to store all local domain strengths std::vector local_domain_strengths; + + /// Gather local domain strengths from all processors comm().allgather(_local_domain_strength, local_domain_strengths); - /// calculate TotalDomainStrength + /// Calculate TotalDomainStrength getTotalDomainStrength(); /// Create a shared instantiation of the photon sharing class PhotonSharingData *photon_sharing_instance = _segment.construct( "PhotonSharingData photon_sharing_instance")( - _segment, _photon_fluxes, _element_strengths, 24, + _segment, _photon_fluxes, _element_strengths, _num_photon_bins, (int)_mesh.getMesh().n_active_local_elem(), _total_domain_strength, _local_domain_strength, local_domain_strengths, _photon_bins); @@ -228,7 +235,7 @@ void FispactProblem::externalSolve() { _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() << std::endl; - std::vector photon_spectra(24, 0); + std::vector photon_spectra(_num_photon_bins, 0); /// Check if there is any neutron flux in current element bool is_flux = isFlux(neutron_flux); @@ -249,7 +256,6 @@ void FispactProblem::externalSolve() { /// If photon bins aren't set yet, set them if (_photon_bins.empty()) { - setPhotonBins(fispact_output); } @@ -292,7 +298,7 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { int ndim = 2; int x_dim = _mesh.getMesh().n_active_elem(); - int y_dim = 24; + int y_dim = _num_photon_bins; hsize_t dataspace_dims[ndim]; /// Set up dimensions for photon flux dataspace @@ -325,7 +331,7 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { hsize_t start[2] = {element_id, 0}; /// count specifies the number of entries we wish to write in each dimension - hsize_t count[2] = {1, 24}; + hsize_t count[2] = {1, _num_photon_bins}; hdf5_utils::write_double_hyperslab(h5_dataset, nullptr, ndim, hyperslab_dims, start, count, @@ -368,14 +374,16 @@ void FispactProblem::writePhotonFluxBins(const hid_t &file_id, void FispactProblem::setPhotonBins(const fp::OutputData &fispact_output) { - _photon_bins = fispact_output.getGammaSpectrumBoundaries(0); + // Retrieve gamma spectrum boundaries from first fispact inv step + int fispact_step = 0; + _photon_bins = fispact_output.getGammaSpectrumBoundaries(fispact_step); - for (auto &bin : _photon_bins) { - if (bin < 0.01) { + // Scale photon bin entries to get them into eV + for (int i = 0; i < _photon_bins.size(); i++) { + if (i == 0) { continue; } - /// Change bins to MeV; - bin *= 1e6; + _photon_bins[i] *= 1e6; } } @@ -652,7 +660,7 @@ int FispactProblem::calculateMemorySize() { int n_local_elem = _mesh.getMesh().n_active_local_elem(); unsigned long photon_flux_map_size = - ((24 * sizeof(double)) + sizeof(int)) * n_local_elem; + ((_num_photon_bins * sizeof(double)) + sizeof(int)) * n_local_elem; unsigned long element_strengths_map_size = (sizeof(int) + sizeof(double)) * n_local_elem; From cb1137f4d07c9324dfc7e0a21049d1e5a2bdc5a6 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 8 Jan 2026 13:22:54 +0000 Subject: [PATCH 020/169] One big gross horrible commit to implement new way to input FISPACT materials. Adds the capability to use FISPACT fuel, which allows for setting individual isotope quantities --- include/problems/FispactProblem.h | 48 +++++- include/userobjects/FISPACTMaterial.h | 63 ++++++-- include/utils/HDF5Utils.h | 4 + src/problems/FispactProblem.C | 221 ++++++++++++++++++-------- src/userobjects/FISPACTMaterial.C | 116 +++++++++++--- src/utils/HDF5Utils.C | 30 ++++ 6 files changed, 372 insertions(+), 110 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 83f4982..54f6c7c 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -2,15 +2,31 @@ #include "ExternalProblem.h" +#include "FISPACTMaterial.h" + +#include "HDF5Utils.h" + +// Fispact includes +#include "fispactcompute.hpp" +#include "fispactmonitor.hpp" +#include "fispactutil.hpp" + +#include "fispactelementaldata.hpp" +#include "fispactgroupconvert.hpp" +#include "fispactgroupstructures.hpp" #include "fispactinputdata.hpp" #include "fispactnucleardata.hpp" #include "fispactoutputdata.hpp" -#include "libmesh/elem.h" - -#include "HDF5Utils.h" +#include "fispactutil.hpp" +#include "fispactinputdata.hpp" +#include "fispactmonitor.hpp" +#include "fispactnucleardata.hpp" +#include "fispactoutputdata.hpp" // Include for interprocess communication data structure #include "PhotonSharingData.h" +#include +#include namespace fp = fispact; @@ -121,7 +137,7 @@ class FispactProblem : public ExternalProblem { * @param[out] input the now correctly setup FISPACT input object */ void setFispactInputData(const fp::FispactMonitor &monitor, - const MaterialDefinition &material, + const FISPACTMaterial &material, const std::vector &neutron_flux, const double &volume, fp::InputData &input) const; @@ -231,6 +247,23 @@ class FispactProblem : public ExternalProblem { return _neutron_bins; } + /** + * Return a vector populated with the number of atoms of each isotope in a + * given material + */ + std::vector getMaterialAtoms(const FISPACTMaterial &material); + + /** + * Load in molar mass data from HDF5 file set using input params + */ + void loadMolarMasses(); + + /** + * Method to calculate the number of atoms in a given mass of substance + */ + double getNumAtoms(const double &mass, const double &molar_mass, + const double &avogadro) const; + /** * */ @@ -293,7 +326,7 @@ class FispactProblem : public ExternalProblem { std::unordered_map _mat_definitions; /// - MaterialDefinition &getElementMaterial(dof_id_type &elem_id); + const FISPACTMaterial &getElementMaterial(dof_id_type &elem_id); /// std::string _neutron_bin_type; @@ -327,4 +360,9 @@ class FispactProblem : public ExternalProblem { /// name given to the interprocess memory segment generated by this rank const std::string _interprocess_segment_name; + + const std::string &_molar_mass_data_filename; + + /// Map from element ZAI to molar mass (g/mol) + std::unordered_map _molar_mass_map; }; diff --git a/include/userobjects/FISPACTMaterial.h b/include/userobjects/FISPACTMaterial.h index e774ba9..ea6e320 100644 --- a/include/userobjects/FISPACTMaterial.h +++ b/include/userobjects/FISPACTMaterial.h @@ -1,26 +1,55 @@ #pragma once +#include "BlockRestrictable.h" #include "GeneralUserObject.h" +#include -class FISPACTMaterial : public GeneralUserObject -{ +class FISPACTMaterial : public GeneralUserObject, public BlockRestrictable { public: - static InputParameters validParams(); + static InputParameters validParams(); - FISPACTMaterial(const InputParameters & params); + FISPACTMaterial(const InputParameters ¶ms); + + virtual void initialize() {} + virtual void finalize() {} + virtual void execute() {} + + /** + * Return a vector of Z or Zai numbers, depending on whether we are using + * setMass or setFuel, corresponding to the nuclides in _nuclides. + */ + // std::vector getZsorZais(const fispact::FispactMonitor &monitor) const; + + /* + * Getter for _nuclides + */ + const std::vector getNuclides() const; + + /* + * Getter for _nuclide_fraction + */ + const std::vector getNuclideFractions() const; + + const std::unordered_map &getNuclideFractionMap() const { + return _nuclide_fraction_map; + } + /* + * Getter for _nuclide_fraction + */ + const double &getDensity() const { return _density; } + + /* + * Getter for _material_type + */ + const std::string &getMaterialType() const { return _material_type; } - virtual void initialize() {} - virtual void finalize() {} - virtual void execute() {} - protected: - - // Nuclide names - std::vector _nuclides; - - // List of nuclide proportions corresponding to each nuclide in the nuclide list - std::vector _nuclide_proportion; - - // Density of the fispact material - double _density; + // + std::unordered_map _nuclide_fraction_map; + + // Density of the fispact material + double _density; + + // + const std::string _material_type; }; diff --git a/include/utils/HDF5Utils.h b/include/utils/HDF5Utils.h index 9edfdaf..a2e4a4a 100644 --- a/include/utils/HDF5Utils.h +++ b/include/utils/HDF5Utils.h @@ -80,6 +80,10 @@ void read_double(hid_t obj_id, const char *name, double *buffer, bool parallel, void read_int(hid_t obj_id, const char *name, int *buffer, bool parallel, bool indep = true); +void read_string(hid_t obj_id, const char *name, + std::vector &buffer, int slen, bool parallel, + bool indep = true); + bool using_mpio_device(hid_t obj_id); void read_double_hyperslab(hid_t group_id, const char *name, hsize_t rank, diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 0819590..1fcae8c 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -9,18 +9,9 @@ #include "MooseTypes.h" /// Fispact includes -#include "fispactcompute.hpp" -#include "fispactconstantsapi.h" -#include "fispactelementaldata.hpp" -#include "fispactgroupconvert.hpp" -#include "fispactgroupstructures.hpp" -#include "fispactinputdata.hpp" -#include "fispactnucleardata.hpp" -#include "fispactoutputdata.hpp" -#include "fispactoutputdataapi.h" -#include "fispactutil.hpp" //// PugiXML include +#include "fispactutil.hpp" #include "pugixml.hpp" /// Cpp includes @@ -31,11 +22,17 @@ #include #include #include +#include #include #include #include +// Avogadro's number +#define AVOGADRO 6.0221408e+23 + +#define MOLAR_MASS_DATASET_DIMS 1 + registerMooseObject("FizzyApp", FispactProblem); InputParameters FispactProblem::validParams() { @@ -105,6 +102,11 @@ InputParameters FispactProblem::validParams() { "comm_photon_flux", false, "Boolean value used to indicate whether to use boost::interprocess to " "communicate photon spectra through IPC."); + + params.addRequiredParam( + "molar_mass_data", + "Filename for HDF5 file containing molar mass data for all isotopes"); + return params; } @@ -123,7 +125,8 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _local_domain_strength(0), _total_domain_strength(0), _write_photon_flux(getParam("write_photon_flux")), _comm_photon_flux(getParam("comm_photon_flux")), - _interprocess_segment_name(generateInterprocessName()) { + _interprocess_segment_name(generateInterprocessName()), + _molar_mass_data_filename(getParam("molar_mass_data")) { /** * Load materials from xml file if read_materials_from_xml is set to true, @@ -153,7 +156,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) setNeutronBins(); /// Check a corresponding material exists for all mesh blocks - checkMaterialsExist(); + // checkMaterialsExist(); /// Initialise FISPACT fp::GlobalInitialise(_fp_monitor); @@ -161,6 +164,9 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) /// Set nuclear data paths setNuclearData(_fp_nuclear_data_path); + /// Load molar mass data + loadMolarMasses(); + /// Read neutron flux from h5 file if (_comm_photon_flux) { @@ -246,9 +252,9 @@ void FispactProblem::externalSolve() { double element_volume = element->volume(); /// Get element material definition - MaterialDefinition &el_mat = getElementMaterial(elem_id); + const FISPACTMaterial &mat = getElementMaterial(elem_id); - setFispactInputData(_fp_monitor, el_mat, neutron_flux, element_volume, + setFispactInputData(_fp_monitor, mat, neutron_flux, element_volume, fispact_input); /// Run FISPACT fp::Process(fispact_input, _fp_nuclear_data, fispact_output, _fp_monitor, @@ -276,7 +282,10 @@ void FispactProblem::externalSolve() { updateLocalDomainStrength(element); } - writePhotonFlux(_photon_flux_filename); + if (_write_photon_flux) { + writePhotonFlux(_photon_flux_filename); + } + fp::GlobalFinalise(_fp_monitor); } @@ -375,8 +384,11 @@ void FispactProblem::writePhotonFluxBins(const hid_t &file_id, void FispactProblem::setPhotonBins(const fp::OutputData &fispact_output) { // Retrieve gamma spectrum boundaries from first fispact inv step - int fispact_step = 0; - _photon_bins = fispact_output.getGammaSpectrumBoundaries(fispact_step); + int fispact_step = 1; + std::vector bounds = + fispact_output.getGammaSpectrumBoundaries(fispact_step); + + _photon_bins = bounds; // Scale photon bin entries to get them into eV for (int i = 0; i < _photon_bins.size(); i++) { @@ -447,43 +459,70 @@ FispactProblem::readElementNeutronFlux(const std::string &filename, * setFispactInputMaterial */ void FispactProblem::setFispactInputData( - const fp::FispactMonitor &monitor, const MaterialDefinition &material, + const fp::FispactMonitor &monitor, const FISPACTMaterial &material, const std::vector &neutron_flux, const double &volume, fp::InputData &input) const { /// Set neutron flux input.setFlux(_neutron_bins, neutron_flux); - input.setFluxWallLoading(1.0); - input.setFluxName("neutrons"); - /// get density from mat density - input.setDensity(material._mat_density); + /// Get density from mat density, in g/cm^3! + double density = material.getDensity(); + input.setDensity(density); + + /// Set atoms threshold input.setAtomsThreshold(1.0e3); - /// Volume read in is in cm ^ 3, so we need to scale by 1e-6, as mass is in kg - double total_mass = material._mat_density * volume * 1e-6; - input.setMassTotal(total_mass); - - std::vector atomic_numbers; - std::vector percent; - for (auto &element_name_ao_pair : material._mat_atomic_composition) { - std::string element_name = element_name_ao_pair.first; - - /** Remove numbers from element name, isotope doesn't matter here as we're - obtaining the atomic number, not the atomic mass **/ - element_name.erase( - std::remove_if(element_name.begin(), element_name.end(), - [](unsigned char c) { return std::isdigit(c); }), - element_name.end()); - - atomic_numbers.push_back( - fp::util::GetAtomicNumberFromElementName(monitor, element_name)); - percent.push_back(element_name_ao_pair.second); + /// Volume read in is in cm^3, so we need to scale by 1e-6, as mass is in kg + double total_mass = density * volume * 1e-6; + + // + if (material.getMaterialType() == "MASS") { + + std::vector atomic_numbers; + std::vector percent; + + /// Set total mass + input.setMassTotal(total_mass); + + const std::unordered_map &nuclideFractionMap = + material.getNuclideFractionMap(); + + std::vector atomic_numbers; + atomic_numbers.reserve(nuclideFractionMap.size()); + + for (auto &[element_name, mass_fraction] : nuclideFractionMap) { + + atomic_numbers.push_back( + fp::util::GetAtomicNumberFromElementName(monitor, element_name)); + } + + input.setMass(atomic_numbers, material.getNuclideFractions()); + + } else if (material.getMaterialType() == "FUEL") { + + /// Get material map, that maps from map[nuclide_name] -> mass_fraction + const std::unordered_map &nuclideFractionMap = + material.getNuclideFractionMap(); + + /// For all key (isotope name) value (mass_fraction) pairs in map, calculate + /// the number of atoms pertaining to each isotope and append to input fuel + for (const auto &[isotope_name, mass_fraction] : nuclideFractionMap) { + + double zai_mass = total_mass * mass_fraction; + + double zai = fp::util::GetZai(monitor, isotope_name); + + double atoms = getNumAtoms(zai_mass, _molar_mass_map.at(zai), AVOGADRO); + + input.appendFuel(zai, atoms); + } } - input.setMass(atomic_numbers, percent); + /// Get the fispact input schdule from the user object and set it in the + /// FISPACT input setFispactSchedule(input); } @@ -496,19 +535,43 @@ void FispactProblem::setFispactSchedule(fp::InputData &input) const { input.setSchedule(times, flux_schedule); } -FispactProblem::MaterialDefinition & +const FISPACTMaterial & FispactProblem::getElementMaterial(dof_id_type &elem_id) { + libMesh::Elem *elem = _mesh.elemPtr(elem_id); - const std::string &subdomain_name = - _mesh.getSubdomainName(elem->subdomain_id()); + // Query the warehouse to see if a FISPACTMaterial exists on the block this + // element is assigned to + std::vector objs; + theWarehouse() + .query() + .condition("UserObject") + .condition(elem->subdomain_id()) + .queryInto(objs); + + // Remove extraneous user objects that are not FISPACTMaterials. Having done + // this, only one object should remain in the vector, and it should be the + for (auto it = objs.begin(); it != objs.end();) { + if ((*it)->type() != "FISPACTMaterial") { + it = objs.erase(it); + } else { + ++it; + } + } - /// Return material definition if it exists, otherwise throw error - if (_mat_definitions.find(subdomain_name) == _mat_definitions.end()) { - mooseError("No FISPACT material named " + subdomain_name + " was found."); + // FISPACT material pertaining to this block. If there ismore than one object, + // then two FISPACTMaterials are assigned to this block, and that makes no + // blimmin sense does it + if (objs.empty()) { + mooseError("Unable to find FISPACTMaterial object on block " + + std::to_string(elem->subdomain_id())); + } else if (objs.size() > 1) { + mooseError("More than 1 FISPACTMaterial definition exists on block " + + std::to_string(elem->subdomain_id())); } - return _mat_definitions.at(subdomain_name); + /// Return the FISPACTMaterial + return *(static_cast(objs[0])); } bool FispactProblem::isFlux(const std::vector &flux) const { @@ -564,27 +627,6 @@ void FispactProblem::setNeutronBins() { /// TODO: Add more bins types } -void FispactProblem::checkMaterialsExist() const { - - /// Fetch all subdomain ID's from libmesh - std::vector subdomain_ids; - for (auto &subdomain_id : _mesh.meshSubdomains()) { - subdomain_ids.push_back(subdomain_id); - } - - /// Fetch all subdomain names using libmesh - std::vector subdomain_names = - _mesh.getSubdomainNames(subdomain_ids); - - /// Check that for all subdomain names there is an associated material - for (auto &subdomain_name : subdomain_names) { - if (_mat_definitions.find(subdomain_name) == _mat_definitions.end()) { - mooseError("Block " + subdomain_name + - " does not have a corresponding FISPACT material defined"); - } - } -} - void FispactProblem::convertGammaEvToCount( const fp::InputData &input, const std::vector &photon_spectra, std::vector &photons_per_cc_per_s) { @@ -720,3 +762,42 @@ const std::string FispactProblem::generateInterprocessName() { return ipc_name; } + +double FispactProblem::getNumAtoms(const double &mass, const double &molar_mass, + const double &avogadro) const { + return (mass / molar_mass) * avogadro; +} + +void FispactProblem::loadMolarMasses() { + + hid_t molar_mass_file = hdf5_utils::file_open( + _molar_mass_data_filename.c_str(), 'r', false, comm().get()); + + hid_t molar_mass_dataset = + hdf5_utils::open_dataset(molar_mass_file, "MolarMass"); + + hid_t element_symbols_dataset = + hdf5_utils::open_dataset(molar_mass_file, "symbol"); + + hsize_t molar_mass_dims[MOLAR_MASS_DATASET_DIMS]; + + hdf5_utils::get_shape(molar_mass_dataset, molar_mass_dims); + + // Vectors to store molar masses and respective element symbols + std::vector molar_masses(molar_mass_dims[0]); + std::vector element_symbols(molar_mass_dims[0]); + + hdf5_utils::read_double(molar_mass_dataset, nullptr, molar_masses.data(), + false); + + hdf5_utils::read_string(element_symbols_dataset, nullptr, element_symbols, 8, + false); + + for (int i = 0; i < molar_masses.size(); i++) { + + int zai = fp::util::GetZai(_fp_monitor, element_symbols[i]); + std::pair key_value = + std::pair(zai, molar_masses[i]); + _molar_mass_map.insert(key_value); + } +} diff --git a/src/userobjects/FISPACTMaterial.C b/src/userobjects/FISPACTMaterial.C index 36a7fbd..55d380f 100644 --- a/src/userobjects/FISPACTMaterial.C +++ b/src/userobjects/FISPACTMaterial.C @@ -1,27 +1,107 @@ #include "FISPACTMaterial.h" -registerMooseObject("fizzyApp", FISPACTMaterial); +#include +#include +#include -InputParameters -FISPACTMaterial::validParams() -{ - InputParameters params = GeneralUserObject::validParams(); +registerMooseObject("FizzyApp", FISPACTMaterial); - params.addRequiredParam>("nuclides", - "a list of nuclides present in the material"); +InputParameters FISPACTMaterial::validParams() { + InputParameters params = GeneralUserObject::validParams(); + params += BlockRestrictable::validParams(); - params.addRequiredParam>("nuclide_proportions", - "List of percentages dictating the proportion of the nuclides in the material."); - params.addRequiredParam("density", - "Total material density in g/cm^3"); + params.addRequiredParam>( + "nuclides", "a list of nuclides present in the material"); - return params; + params.addRequiredParam>( + "nuclide_fraction", "List of percentages dictating the proportion of " + "the nuclides in the material."); + + params.addRequiredParam("density", + "Total material density in g/cm^3"); + + // Enum to determine whether we are using FISPACT::setMass or + // FISPACT::setFUEL + MooseEnum material_type_enum{"MASS FUEL"}; + params.addRequiredParam( + "material_type", material_type_enum, + "Setting to determine if this is a FISPACT Mass or Fuel material"); + return params; } -FISPACTMaterial::FISPACTMaterial(const InputParameters & parameters) - : GeneralUserObject(parameters), - _nuclides(getParam>("nuclides")), - _nuclide_proportion(getParam>("nuclide_proportions")), - _density(getParam("density")) -{ +FISPACTMaterial::FISPACTMaterial(const InputParameters ¶meters) + : GeneralUserObject(parameters), BlockRestrictable(this), + _density(getParam("density")), + _material_type(getParam("material_type")) { + + std::vector nuclides = + getParam>("nuclides"); + std::vector nuclide_fraction = + getParam>("nuclide_fraction"); + + std::cout << name() << std::endl; + // Check _nuclides and _nuclide_fraction are of equal length + if (nuclides.size() != nuclide_fraction.size()) { + mooseError("Nuclides list length does not match nuclide fraction list " + "length in material " + + name()); + } + + // Check that nuclide fractions sum to equal to or less than 100 + if (!(std::accumulate(nuclide_fraction.begin(), nuclide_fraction.end(), 0) <= + 100)) { + mooseError("FispactMaterial " + name() + + " has nuclide fractions summing to more than 100."); + } + + // Check that the user has either: NOT set isotope numbers if the material + // type is set to MASS OR: HAS provided isotope number if material type is set + // to FUEL + for (auto &nuclide : nuclides) { + if (std::any_of(nuclide.begin(), nuclide.end(), + [](unsigned char c) { return std::isdigit(c); })) { + + if (_material_type == "MASS") { + mooseError("Material type is set to MASS, but the provided nuclides " + "have isotope numbers specified. Please provide only " + "nuclide symbols, not isotope numbers."); + } + } else if (_material_type == "FUEL") { + mooseError("Material to FUEL, but provided nuclides do not have " + "isotope numbers defined. Please define nuclide isotopes"); + } + } + + // Actually initialise map now we've checked all the data makes sense + for (int i = 0; i < nuclides.size(); i++) { + auto [it, inserted] = + _nuclide_fraction_map.try_emplace(nuclides[i], nuclide_fraction[i]); + + // If we attempt to give the same isotope two mass fraction values, freak + // out + if (!inserted) { + throw std::runtime_error( + "Duplicate element in material definition for material " + name()); + } + } +} + +const std::vector FISPACTMaterial::getNuclides() const { + + std::vector nuclides; + + for (auto &pair : _nuclide_fraction_map) { + nuclides.push_back(pair.first); + } + return nuclides; +} + +const std::vector FISPACTMaterial::getNuclideFractions() const { + + std::vector nuclide_fractions; + + for (auto &pair : _nuclide_fraction_map) { + nuclide_fractions.push_back(pair.second); + } + return nuclide_fractions; } diff --git a/src/utils/HDF5Utils.C b/src/utils/HDF5Utils.C index ef18804..31dff74 100644 --- a/src/utils/HDF5Utils.C +++ b/src/utils/HDF5Utils.C @@ -3,6 +3,7 @@ #include "fmt/format.h" #include "mpi.h" #include +#include #include namespace hdf5_utils { @@ -242,6 +243,35 @@ void read_int(hid_t obj_id, const char *name, int *buffer, bool parallel, indep); } +void read_string(hid_t obj_id, const char *name, + std::vector &buffer, int slen, bool parallel, + bool indep) { + + /// Currently easier to read into a char buffer and then use the predefined + /// string length to seperate the char buffer into strings + std::vector char_buff(slen * buffer.size()); + + /// Create datatype for "string" + hid_t datatype = H5Tcopy(H5T_C_S1); + H5Tset_size(datatype, slen); + + H5Tset_strpad(datatype, H5T_STR_NULLPAD); + + /// Read strings into char buffer + read_dataset_lowlevel(obj_id, name, datatype, H5S_ALL, char_buff.data(), + parallel, indep); + + /// Split vector of chars into strings of length slen + for (size_t i = 0; i < buffer.size(); i++) { + std::string s(char_buff.data() + i * slen, slen); + s.erase(s.find_last_not_of("\0 ") + 1); + buffer[i] = std::move(s); + } + + /// Free memory allocated to datatype + H5Tclose(datatype); +} + void read_double_hyperslab(hid_t obj_id, const char *name, hsize_t ndim, hsize_t dims[], hsize_t start[], hsize_t count[], double *results, bool parallel, bool indep) { From b6dfb4b5fd8d41074b0065c9f5b7a4df369b35e1 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 8 Jan 2026 13:25:02 +0000 Subject: [PATCH 021/169] Removed uneccessary include --- src/problems/FispactProblem.C | 1 - 1 file changed, 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 1fcae8c..01f5355 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -1,4 +1,3 @@ -#include "ExternalProblem.h" #include "FispactProblem.h" /// Custom user object includes From 1088d665579ccf873a9941133359e2517b1afc26 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 8 Jan 2026 13:37:00 +0000 Subject: [PATCH 022/169] Removed needless print statement in FISPACTMaterial --- src/userobjects/FISPACTMaterial.C | 1 - 1 file changed, 1 deletion(-) diff --git a/src/userobjects/FISPACTMaterial.C b/src/userobjects/FISPACTMaterial.C index 55d380f..faf842a 100644 --- a/src/userobjects/FISPACTMaterial.C +++ b/src/userobjects/FISPACTMaterial.C @@ -39,7 +39,6 @@ FISPACTMaterial::FISPACTMaterial(const InputParameters ¶meters) std::vector nuclide_fraction = getParam>("nuclide_fraction"); - std::cout << name() << std::endl; // Check _nuclides and _nuclide_fraction are of equal length if (nuclides.size() != nuclide_fraction.size()) { mooseError("Nuclides list length does not match nuclide fraction list " From 695b37081fee9bf8c76860a0753ba5afe1398bca Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 26 Jan 2026 15:28:29 +0000 Subject: [PATCH 023/169] Removed relative paths for HDF5 includes --- include/utils/HDF5Utils.h | 20 ++++++++++---------- src/utils/HDF5Utils.C | 2 -- 2 files changed, 10 insertions(+), 12 deletions(-) diff --git a/include/utils/HDF5Utils.h b/include/utils/HDF5Utils.h index a2e4a4a..add9657 100644 --- a/include/utils/HDF5Utils.h +++ b/include/utils/HDF5Utils.h @@ -1,19 +1,19 @@ #pragma once #include "H5Cpp.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include #include #include #include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include #include #include #include diff --git a/src/utils/HDF5Utils.C b/src/utils/HDF5Utils.C index 31dff74..c517602 100644 --- a/src/utils/HDF5Utils.C +++ b/src/utils/HDF5Utils.C @@ -2,8 +2,6 @@ #include "MooseError.h" #include "fmt/format.h" #include "mpi.h" -#include -#include #include namespace hdf5_utils { From 8307e34a32ce4e3f8b9d37d0e5adcf0ef5f114c9 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 27 Jan 2026 23:40:22 +0000 Subject: [PATCH 024/169] changed elif statement to else --- src/problems/FispactProblem.C | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 01f5355..0938d20 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -295,7 +295,7 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { */ #ifdef H5_HAVE_PARALLEL bool parallel = true; -#elif +#else parallel = false; #endif /// Open OpenMC statepoint file with Neutron Flux From b27b2c92a210a12c090905aae164969014ea40fc Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 27 Jan 2026 23:40:46 +0000 Subject: [PATCH 025/169] Removed redeclaration of atomicnumbers --- src/problems/FispactProblem.C | 1 - 1 file changed, 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 0938d20..da2e87f 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -489,7 +489,6 @@ void FispactProblem::setFispactInputData( const std::unordered_map &nuclideFractionMap = material.getNuclideFractionMap(); - std::vector atomic_numbers; atomic_numbers.reserve(nuclideFractionMap.size()); for (auto &[element_name, mass_fraction] : nuclideFractionMap) { From 647f364b1d4c3d54d07e5c577cabc715b9aad321 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 28 Jan 2026 11:38:57 +0000 Subject: [PATCH 026/169] Correctly initialised other code path --- src/problems/FispactProblem.C | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index da2e87f..1df2242 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -296,7 +296,7 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { #ifdef H5_HAVE_PARALLEL bool parallel = true; #else - parallel = false; + bool parallel = false; #endif /// Open OpenMC statepoint file with Neutron Flux hid_t file_id = From 816f48068098e2376a0e99ab6f4a12e22cdd4cce Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 28 Jan 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zL`ex{Ik=O>ts4>(Ah!_ZZv?anQ8tQ(qo$V@r@+)_F=tBQ?cFN(Q-a;e>V2bix8aF* z&!V$oe!1`6I%p&K{qONr3ZPax$$5aT(`}u zEfV_h3rF6B-GRTTWw69;ol?BC2hrtRbL%#&x#43~3H866evqo-L5_%CK3ffaE Date: Wed, 28 Jan 2026 15:48:08 +0000 Subject: [PATCH 029/169] Added material examples to repo --- inputs/material_tests/fispact_fuel.i | 44 ++++++++++++++++++++++++++++ inputs/material_tests/fispact_mass.i | 44 ++++++++++++++++++++++++++++ 2 files changed, 88 insertions(+) create mode 100644 inputs/material_tests/fispact_fuel.i create mode 100644 inputs/material_tests/fispact_mass.i diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i new file mode 100644 index 0000000..1db219d --- /dev/null +++ b/inputs/material_tests/fispact_fuel.i @@ -0,0 +1,44 @@ +[Mesh] + [fmg] + type = FileMeshGenerator + file = "../../example_geom/cube.e" + [] +[] + +[Problem] + type = FispactProblem + fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' + + neutron_flux_file = '/../statepoint.2.h5' + neutron_flux_tally_id = 1 + neutron_bin_type = 'G1102' + + write_photon_flux = True + photon_flux_filename = 'photon_spectra_out' + + molar_mass_data = '../../molar_masses.h5' + + fispact_schedule_uo = 'Schedule' +[] + +[UserObjects] + [Schedule] + type = FispactSchedule + times = '300 30 30 30 30 30' + flux_schedule = '1e10 0 0 0 0 0' + [] + + [steel] + type = FISPACTMaterial + material_type = FUEL + nuclides = 'Fe56 Fe57' + nuclide_fraction = '0.7 0.3' + block = 'steel' + density = 5 + [] + +[] + +[Executioner] + type = Steady +[] diff --git a/inputs/material_tests/fispact_mass.i b/inputs/material_tests/fispact_mass.i new file mode 100644 index 0000000..92099ed --- /dev/null +++ b/inputs/material_tests/fispact_mass.i @@ -0,0 +1,44 @@ +[Mesh] + [fmg] + type = FileMeshGenerator + file = "../../example_geom/cube.e" + [] +[] + +[Problem] + type = FispactProblem + fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' + + neutron_flux_file = '/../statepoint.2.h5' + neutron_flux_tally_id = 1 + neutron_bin_type = 'G1102' + + write_photon_flux = True + photon_flux_filename = 'photon_spectra_out' + + molar_mass_data = '../../molar_masses.h5' + + fispact_schedule_uo = 'Schedule' +[] + +[UserObjects] + [Schedule] + type = FispactSchedule + times = '300 30 30 30 30 30' + flux_schedule = '1e10 0 0 0 0 0' + [] + + [steel] + type = FISPACTMaterial + material_type = MASS + nuclides = 'Fe Mo' + nuclide_fraction = '0.7 0.3' + block = 'steel' + density = 5 + [] + +[] + +[Executioner] + type = Steady +[] From c8b7324715eecaf394ec587b9c54700ff4108c7c Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 28 Jan 2026 16:04:25 +0000 Subject: [PATCH 030/169] Added example statepoint file to repo --- inputs/statepoint.2.h5 | Bin 0 -> 2280560 bytes 1 file changed, 0 insertions(+), 0 deletions(-) create mode 100644 inputs/statepoint.2.h5 diff --git a/inputs/statepoint.2.h5 b/inputs/statepoint.2.h5 new file mode 100644 index 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zW49BV!So*S`O=+S7~XF3G+(BlpS&NPHsbIjk^C55{+|Ctkw|P`CvQI%)0fRl=tKZ_ z(B++-*fe)Kfp?Di j-pI*rs&nyw`W`j=B)`88$A|4SA4J{#x!+MgNk0AoLaQU3 literal 0 HcmV?d00001 From 350e9b719fbbc6ce47b0d59e21dc94c9d856475a Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 28 Jan 2026 16:26:20 +0000 Subject: [PATCH 031/169] Fixed example input files by making path to statepoint file relative --- inputs/material_tests/fispact_fuel.i | 2 +- inputs/material_tests/fispact_mass.i | 2 +- inputs/material_tests/photon_spectra_out | Bin 0 -> 26632 bytes 3 files changed, 2 insertions(+), 2 deletions(-) create mode 100644 inputs/material_tests/photon_spectra_out diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index 1db219d..2074d4b 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -9,7 +9,7 @@ type = FispactProblem fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - neutron_flux_file = '/../statepoint.2.h5' + neutron_flux_file = './../statepoint.2.h5' neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' diff --git a/inputs/material_tests/fispact_mass.i b/inputs/material_tests/fispact_mass.i index 92099ed..d7db318 100644 --- a/inputs/material_tests/fispact_mass.i +++ b/inputs/material_tests/fispact_mass.i @@ -9,7 +9,7 @@ type = FispactProblem fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - neutron_flux_file = '/../statepoint.2.h5' + neutron_flux_file = './../statepoint.2.h5' neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' diff --git a/inputs/material_tests/photon_spectra_out b/inputs/material_tests/photon_spectra_out new file mode 100644 index 0000000000000000000000000000000000000000..fddb5c18c59251dc8667401c719242c14f481a37 GIT binary patch literal 26632 zcmeFZcTiMa_a;gfK}Ar4i6DxC0mKN152zq28B{=#q#_a(L=YwC3@R!?K~NC{$w5FR zLw5sB&N+jDtf0c2@AtjmtvfSSbE|LF{pZd!Rh-c0oZh{A?G>K&tmUV4T5&DgW;VKi zy;xc4nCRC3*Y1D*t^D(1z4`Am|2h88`-cDQ(Eqdb{b!rV@b4XZx_|xA(eeFrp7WpQ 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zgdqOIL_efod~k`|6_0O2Iix>Bv^Iz#d#B;honvD3J})egC5d35>qwYmW)rlX`zBg1 zV?$H5%Q~%f=sVn58u?aE;SgLi6_{u31p7&+?lno(?_Ub8v^+>K<$-6<{nNY>9_;3? zBu5QoK*lP9`P-UG_&A(5#@CZU>18eZHd-3&4Pg%EpAdovzgFYbLOBFoT3T(8{Sn@` ze%g4=NQ!(#I=Y0_VceS~*!f7eh>p}R>|cYvGs20=vB+l}$9e6dcoqc{ zQfA9Zg)3yd>G91vq&|P!*silV=vE`>6**E@q5SQfT3m;0TRONu**9&GR}Pt8g5Cz7 zE(qG?>F@L6DugA3jPAW806njq@jC4>$S;i6CiI}ZZPKiL+A;~y_C4trwSI=ef$wZ4 zQ3%TfOx!2r3o?qIbGbPT&7FzKXSP)$KF4E=|iW-$#sXqhNPfbmFk~=w%457 z1sxo)u}-M%c+Lfqr|H_>2PqIcb!$&Niv_(msEeNDOVE5)JK*VoWaM&{M||~ef%8Wx z9$Bb=EEKWJS^BNu;rVrecccV5?PP28tdM`4`Tj)zZUF>PHFsDeedJL1Uvd z`cC`s9K_#3sR#BOvBfaHbA_>tK&B3QNk+c-H- z0-UHjBcKu@DYfef?B6KB*{A;6ft#nn^4cdAY3J<OEx17cEViWJx`~5giyL^ zc9ro%9`uz&&Q0)ULva!>Tp#%ux@-OGM^JlLL$5lAj`Tza1e!9*x`v$7DiE3>*vrbs8#M`+XX;&KReh_fPEq3h#$BrVepQ{S#DiVIN*rc|s_G}5{{u6=>@ENR literal 0 HcmV?d00001 From 6c3bfe1dd1fd01362b8b1684a1725ffd75fefdf9 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 28 Jan 2026 17:37:29 +0000 Subject: [PATCH 032/169] Fixed broken nuclear data paths --- src/problems/FispactProblem.C | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 1df2242..91bccfd 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -740,12 +740,16 @@ void FispactProblem::setNuclearData(const std::string &nd_base_path) { nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, nd_base_path + "decay2020/decay_2020"); - nd_reader.setPath(FISPACT_ND_ABSORP_KEY, nd_base_path + "decay/abs_2012"); + + nd_reader.setPath(FISPACT_ND_ABSORP_KEY, + nd_base_path + "decay_2012/abs_2012"); nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, - nd_base_path + "/decay/hazards_2012"); - nd_reader.setPath(FISPACT_ND_CLEAR_KEY, nd_base_path + "/decay/clear_2012"); - nd_reader.setPath(FISPACT_ND_A2DATA_KEY, nd_base_path + "/decay/a2_2012"); + nd_base_path + "/decay_2012/hazards_2012"); + nd_reader.setPath(FISPACT_ND_CLEAR_KEY, + nd_base_path + "/decay_2012/clear_2012"); + nd_reader.setPath(FISPACT_ND_A2DATA_KEY, + nd_base_path + "/decay_2012/a2_2012"); nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); } From 3982c5fbecf741b9d3e0114813753aae3ffac6a6 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 30 Jan 2026 17:49:14 +0000 Subject: [PATCH 033/169] Created new user object to input nuclear data, allowing user to easier change which nuclear data set they wish to use --- include/userobjects/FispactNuclearDataPaths.C | 278 ++++++++++++++++++ include/userobjects/FispactNuclearDataPaths.h | 43 +++ src/problems/FispactProblem.C | 65 ++-- 3 files changed, 356 insertions(+), 30 deletions(-) create mode 100644 include/userobjects/FispactNuclearDataPaths.C create mode 100644 include/userobjects/FispactNuclearDataPaths.h diff --git a/include/userobjects/FispactNuclearDataPaths.C b/include/userobjects/FispactNuclearDataPaths.C new file mode 100644 index 0000000..13113b4 --- /dev/null +++ b/include/userobjects/FispactNuclearDataPaths.C @@ -0,0 +1,278 @@ +#include "FispactNuclearDataPaths.h" +#include "MooseError.h" + +#include +#include +#include +#include +#include + +registerMooseObject("FizzyApp", FispactNuclearDataPaths); + +InputParameters FispactNuclearDataPaths::validParams() { + InputParameters params = GeneralUserObject::validParams(); + + params.addRequiredParam("base_path", ""); + + params.addParam("ND_IND_NUC_KEY", ""); + params.addParam("ND_HAZARDS_KEY", ""); + params.addParam("ND_ABSORP_KEY", ""); + params.addParam("ND_CLEAR_KEY", ""); + params.addParam("ND_A2DATA_KEY", ""); + params.addParam("ND_ENBINS_KEY", ""); + params.addParam("ND_DECAY_KEY", ""); + params.addParam("ND_DK_ENDF_KEY", ""); + params.addParam("ND_PROB_TAB_KEY", ""); + params.addParam("ND_ASSCFY_KEY", ""); + params.addParam("ND_FISSYLD_KEY", ""); + params.addParam("ND_FY_ENDF_KEY", ""); + params.addParam("ND_SF_ENDF_KEY", ""); + params.addParam("ND_SP_ENDF_KEY", ""); + params.addParam("ND_XS_EXTRA_KEY", ""); + params.addParam("ND_CROSSEC_KEY", ""); + params.addParam("ND_CROSSUNC_KEY", ""); + params.addParam("ND_XS_ENDF_KEY", ""); + params.addParam("ND_XS_ENDFB_KEY", ""); + + return params; +} + +FispactNuclearDataPaths::FispactNuclearDataPaths( + const InputParameters ¶meters) + : GeneralUserObject(parameters), + _base_path(getParam("base_path")) {} + +void FispactNuclearDataPaths::loadNuclearData( + fispact::NuclearData &nd, fispact::FispactMonitor &fp_monitor, + std::function callback) { + fispact::io::NuclearDataReader nd_reader(fp_monitor); + + if (isParamValid("ND_IND_NUC_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_IND_NUC_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_IND_NUC_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, path); + } + + if (isParamValid("ND_HAZARDS_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_HAZARDS_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_HAZARDS_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, path); + } + + if (isParamValid("ND_ABSORP_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_ABSORP_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_ABSORP_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_ABSORP_KEY, path); + } + + if (isParamValid("ND_CLEAR_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_CLEAR_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_CLEAR_KEY", path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_CLEAR_KEY, path); + } + + if (isParamValid("ND_A2DATA_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_A2DATA_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_A2DATA_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_A2DATA_KEY, path); + } + + if (isParamValid("ND_ENBINS_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_ENBINS_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_ENBINS_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_ENBINS_KEY, path); + } + + if (isParamValid("ND_DECAY_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_DECAY_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_DECAY_KEY", path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_DECAY_KEY, path); + } + + if (isParamValid("ND_DK_ENDF_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_DK_ENDF_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_DK_ENDF_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, path); + } + + if (isParamValid("ND_PROB_TAB_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_PROB_TAB_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_PROB_TAB_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_PROB_TAB_KEY, path); + } + + if (isParamValid("ND_ASSCFY_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_ASSCFY_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_ASSCFY_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_ASSCFY_KEY, path); + } + + if (isParamValid("ND_FISSYLD_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_FISSYLD_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_FISSYLD_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_FISSYLD_KEY, path); + } + + if (isParamValid("ND_FY_ENDF_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_FY_ENDF_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_FY_ENDF_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_FY_ENDF_KEY, path); + } + + if (isParamValid("ND_SF_ENDF_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_SF_ENDF_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_SF_ENDF_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_SF_ENDF_KEY, path); + } + + if (isParamValid("ND_SP_ENDF_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_SP_ENDF_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_SP_ENDF_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_SP_ENDF_KEY, path); + } + + if (isParamValid("ND_XS_EXTRA_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_XS_EXTRA_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_XS_EXTRA_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_XS_EXTRA_KEY, path); + } + + if (isParamValid("ND_CROSSEC_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_CROSSEC_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_CROSSEC_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_CROSSEC_KEY, path); + } + + if (isParamValid("ND_CROSSUNC_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_CROSSUNC_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_CROSSUNC_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_CROSSUNC_KEY, path); + } + + if (isParamValid("ND_XS_ENDF_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_XS_ENDF_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_XS_ENDF_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_XS_ENDF_KEY, path); + } + + if (isParamValid("ND_XS_ENDFB_KEY")) { + /// check path exists + std::string path = _base_path + getParam("ND_XS_ENDFB_KEY"); + + if (!(std::filesystem::exists(path))) { + paramError("ND_XS_ENDFB_KEY", + path + " is not a valid path! Could not set "); + } + + nd_reader.setPath(FISPACT_ND_XS_ENDFB_KEY, path); + } + + // Load the nuclear data + nd_reader.load(nd, callback); +} diff --git a/include/userobjects/FispactNuclearDataPaths.h b/include/userobjects/FispactNuclearDataPaths.h new file mode 100644 index 0000000..cff1259 --- /dev/null +++ b/include/userobjects/FispactNuclearDataPaths.h @@ -0,0 +1,43 @@ +#pragma once + +#include "GeneralUserObject.h" +#include "fispactnucleardata.hpp" + +class FispactNuclearDataPaths : public GeneralUserObject { +public: + static InputParameters validParams(); + + FispactNuclearDataPaths(const InputParameters ¶ms); + + virtual void initialize() {} + virtual void finalize() {} + virtual void execute() {} + + void loadNuclearData( + fispact::NuclearData &nd, fispact::FispactMonitor &fp_monitor, + std::function callback); + +protected: + /// Nuclear data strings + const std::string _base_path; + + const std::string _ND_IND_NUC_KEY; + const std::string _ND_HAZARDS_KEY; + const std::string _ND_ABSORP_KEY; + const std::string _ND_CLEAR_KEY; + const std::string _ND_A2DATA_KEY; + const std::string _ND_ENBINS_KEY; + const std::string _ND_DECAY_KEY; + const std::string _ND_DK_ENDF_KEY; + const std::string _ND_PROB_TAB_KEY; + const std::string _ND_ASSCFY_KEY; + const std::string _ND_FISSYLD_KEY; + const std::string _ND_FY_ENDF_KEY; + const std::string _ND_SF_ENDF_KEY; + const std::string _ND_SP_ENDF_KEY; + const std::string _ND_XS_EXTRA_KEY; + const std::string _ND_CROSSEC_KEY; + const std::string _ND_CROSSUNC_KEY; + const std::string _ND_XS_ENDF_KEY; + const std::string _ND_XS_ENDFB_KEY; +}; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 91bccfd..513b86c 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -1,5 +1,6 @@ #include "FispactProblem.h" +#include "../../include/userobjects/FispactNuclearDataPaths.C" /// Custom user object includes #include "FispactSchedule.h" @@ -160,9 +161,6 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) /// Initialise FISPACT fp::GlobalInitialise(_fp_monitor); - /// Set nuclear data paths - setNuclearData(_fp_nuclear_data_path); - /// Load molar mass data loadMolarMasses(); @@ -221,6 +219,9 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { void FispactProblem::externalSolve() { + /// Set nuclear data paths + setNuclearData(_fp_nuclear_data_path); + /// Set up fispact input data fp::InputData fispact_input(_fp_monitor); fp::OutputData fispact_output(_fp_monitor); @@ -723,35 +724,39 @@ std::string FispactProblem::fispactLogName() { } void FispactProblem::setNuclearData(const std::string &nd_base_path) { - fp::io::NuclearDataReader nd_reader(_fp_monitor); - - nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, - nd_base_path + "decay2020/decay_2020_index.txt"); - - nd_reader.setPath(FISPACT_ND_XS_ENDF_KEY, - nd_base_path + "TENDL2021data/gendf-1102"); - nd_reader.setPath(FISPACT_ND_PROB_TAB_KEY, - nd_base_path + "TENDL2021data/tp-1102-294"); - - nd_reader.setPath(FISPACT_ND_FY_ENDF_KEY, - nd_base_path + "GEFY61data/gefy61_nfy"); - nd_reader.setPath(FISPACT_ND_SF_ENDF_KEY, - nd_base_path + "GEFY61data/gefy61_sfy"); - nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, - nd_base_path + "decay2020/decay_2020"); + FispactNuclearDataPaths &nuclear_data_paths = + getUserObject("nuclear_data"); - nd_reader.setPath(FISPACT_ND_ABSORP_KEY, - nd_base_path + "decay_2012/abs_2012"); - - nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, - nd_base_path + "/decay_2012/hazards_2012"); - nd_reader.setPath(FISPACT_ND_CLEAR_KEY, - nd_base_path + "/decay_2012/clear_2012"); - nd_reader.setPath(FISPACT_ND_A2DATA_KEY, - nd_base_path + "/decay_2012/a2_2012"); - - nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); + nuclear_data_paths.loadNuclearData(_fp_nuclear_data, _fp_monitor, + load_callback); + // nd_reader.setPath(FISPACT_ND_IND_NUC_KEY, + // nd_base_path + "decay2020/decay_2020_index.txt"); + // + // nd_reader.setPath(FISPACT_ND_XS_ENDF_KEY, + // nd_base_path + "TENDL2021data/gendf-1102"); + // nd_reader.setPath(FISPACT_ND_PROB_TAB_KEY, + // nd_base_path + "TENDL2021data/tp-1102-294"); + // + // nd_reader.setPath(FISPACT_ND_FY_ENDF_KEY, + // nd_base_path + "GEFY61data/gefy61_nfy"); + // nd_reader.setPath(FISPACT_ND_SF_ENDF_KEY, + // nd_base_path + "GEFY61data/gefy61_sfy"); + // + // nd_reader.setPath(FISPACT_ND_DK_ENDF_KEY, + // nd_base_path + "decay2020/decay_2020"); + // + // nd_reader.setPath(FISPACT_ND_ABSORP_KEY, nd_base_path + + // "decay2012/abs_2012"); + // + // nd_reader.setPath(FISPACT_ND_HAZARDS_KEY, + // nd_base_path + "/decay2012/hazards_2012"); + // nd_reader.setPath(FISPACT_ND_CLEAR_KEY, + // nd_base_path + "/decay2012/clear_2012"); + // nd_reader.setPath(FISPACT_ND_A2DATA_KEY, nd_base_path + + // "/decay2012/a2_2012"); + // + // nd_reader.load(_fp_nuclear_data, &FispactProblem::load_callback); } const std::string FispactProblem::generateInterprocessName() { From 9f1855aabfd17bf74db0792db0690414e02869e5 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 14:55:34 +0000 Subject: [PATCH 034/169] Made base_path an optional parameter, so if users wish they can specify nuclear data that does not share a common directory --- include/userobjects/FispactNuclearDataPaths.C | 46 +++++++++---------- 1 file changed, 23 insertions(+), 23 deletions(-) diff --git a/include/userobjects/FispactNuclearDataPaths.C b/include/userobjects/FispactNuclearDataPaths.C index 13113b4..672edd9 100644 --- a/include/userobjects/FispactNuclearDataPaths.C +++ b/include/userobjects/FispactNuclearDataPaths.C @@ -12,8 +12,7 @@ registerMooseObject("FizzyApp", FispactNuclearDataPaths); InputParameters FispactNuclearDataPaths::validParams() { InputParameters params = GeneralUserObject::validParams(); - params.addRequiredParam("base_path", ""); - + params.addParam("base_path", "", ""); params.addParam("ND_IND_NUC_KEY", ""); params.addParam("ND_HAZARDS_KEY", ""); params.addParam("ND_ABSORP_KEY", ""); @@ -39,17 +38,18 @@ InputParameters FispactNuclearDataPaths::validParams() { FispactNuclearDataPaths::FispactNuclearDataPaths( const InputParameters ¶meters) - : GeneralUserObject(parameters), - _base_path(getParam("base_path")) {} + : GeneralUserObject(parameters) {} void FispactNuclearDataPaths::loadNuclearData( fispact::NuclearData &nd, fispact::FispactMonitor &fp_monitor, std::function callback) { fispact::io::NuclearDataReader nd_reader(fp_monitor); + std::string base_path = getParam("base_path"); + if (isParamValid("ND_IND_NUC_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_IND_NUC_KEY"); + std::string path = base_path + getParam("ND_IND_NUC_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_IND_NUC_KEY", @@ -61,7 +61,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_HAZARDS_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_HAZARDS_KEY"); + std::string path = base_path + getParam("ND_HAZARDS_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_HAZARDS_KEY", @@ -73,7 +73,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_ABSORP_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_ABSORP_KEY"); + std::string path = base_path + getParam("ND_ABSORP_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_ABSORP_KEY", @@ -85,7 +85,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_CLEAR_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_CLEAR_KEY"); + std::string path = base_path + getParam("ND_CLEAR_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_CLEAR_KEY", path + " is not a valid path! Could not set "); @@ -96,7 +96,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_A2DATA_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_A2DATA_KEY"); + std::string path = base_path + getParam("ND_A2DATA_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_A2DATA_KEY", @@ -108,7 +108,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_ENBINS_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_ENBINS_KEY"); + std::string path = base_path + getParam("ND_ENBINS_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_ENBINS_KEY", @@ -120,7 +120,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_DECAY_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_DECAY_KEY"); + std::string path = base_path + getParam("ND_DECAY_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_DECAY_KEY", path + " is not a valid path! Could not set "); @@ -131,7 +131,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_DK_ENDF_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_DK_ENDF_KEY"); + std::string path = base_path + getParam("ND_DK_ENDF_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_DK_ENDF_KEY", @@ -143,7 +143,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_PROB_TAB_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_PROB_TAB_KEY"); + std::string path = base_path + getParam("ND_PROB_TAB_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_PROB_TAB_KEY", @@ -155,7 +155,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_ASSCFY_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_ASSCFY_KEY"); + std::string path = base_path + getParam("ND_ASSCFY_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_ASSCFY_KEY", @@ -167,7 +167,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_FISSYLD_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_FISSYLD_KEY"); + std::string path = base_path + getParam("ND_FISSYLD_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_FISSYLD_KEY", @@ -179,7 +179,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_FY_ENDF_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_FY_ENDF_KEY"); + std::string path = base_path + getParam("ND_FY_ENDF_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_FY_ENDF_KEY", @@ -191,7 +191,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_SF_ENDF_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_SF_ENDF_KEY"); + std::string path = base_path + getParam("ND_SF_ENDF_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_SF_ENDF_KEY", @@ -203,7 +203,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_SP_ENDF_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_SP_ENDF_KEY"); + std::string path = base_path + getParam("ND_SP_ENDF_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_SP_ENDF_KEY", @@ -215,7 +215,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_XS_EXTRA_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_XS_EXTRA_KEY"); + std::string path = base_path + getParam("ND_XS_EXTRA_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_XS_EXTRA_KEY", @@ -227,7 +227,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_CROSSEC_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_CROSSEC_KEY"); + std::string path = base_path + getParam("ND_CROSSEC_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_CROSSEC_KEY", @@ -239,7 +239,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_CROSSUNC_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_CROSSUNC_KEY"); + std::string path = base_path + getParam("ND_CROSSUNC_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_CROSSUNC_KEY", @@ -251,7 +251,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_XS_ENDF_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_XS_ENDF_KEY"); + std::string path = base_path + getParam("ND_XS_ENDF_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_XS_ENDF_KEY", @@ -263,7 +263,7 @@ void FispactNuclearDataPaths::loadNuclearData( if (isParamValid("ND_XS_ENDFB_KEY")) { /// check path exists - std::string path = _base_path + getParam("ND_XS_ENDFB_KEY"); + std::string path = base_path + getParam("ND_XS_ENDFB_KEY"); if (!(std::filesystem::exists(path))) { paramError("ND_XS_ENDFB_KEY", From 46f255c4d0df462056ab468782c4d102413516aa Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 14:57:48 +0000 Subject: [PATCH 035/169] Changed material test example to use new nuclear data user object --- inputs/material_tests/fispact_fuel.i | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index 2074d4b..e8e9cab 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -8,6 +8,7 @@ [Problem] type = FispactProblem fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' + #fispact_nuclear_data_path = '/home/bill/Projects/FispactNuclearData/ENDFB80data/' neutron_flux_file = './../statepoint.2.h5' neutron_flux_tally_id = 1 @@ -37,6 +38,22 @@ density = 5 [] + [nuclear_data] + type = FispactNuclearDataPaths + base_path = "/Projects/FispactNuclearData/" + ND_IND_NUC_KEY = "/decay_2020_index.txt" + ND_XS_ENDF_KEY = "TENDL2021data/gendf-1102" + ND_PROB_TAB_KEY = "TENDL2021data/tp-1102-294" + ND_FY_ENDF_KEY = "GEFY61data/gefy61_nfy" + ND_SF_ENDF_KEY = "GEFY61data/gefy61_sfy" + ND_DK_ENDF_KEY = "decay_2020" + ND_ABSORP_KEY = "decay_2012/abs_2012" + ND_HAZARDS_KEY = "decay_2012/hazards_2012" + ND_CLEAR_KEY = "decay_2012/clear_2012" + ND_A2DATA_KEY = "decay_2012/a2_2012" + + execute_on = INITIAL + [] [] [Executioner] From 943b9646b9556a6ae84909c769615e48d1140285 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 15:29:19 +0000 Subject: [PATCH 036/169] Fixed paths in fispact_fuel test --- inputs/material_tests/fispact_fuel.i | 20 ++++++-------------- 1 file changed, 6 insertions(+), 14 deletions(-) diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index e8e9cab..eba87cd 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -7,8 +7,6 @@ [Problem] type = FispactProblem - fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - #fispact_nuclear_data_path = '/home/bill/Projects/FispactNuclearData/ENDFB80data/' neutron_flux_file = './../statepoint.2.h5' neutron_flux_tally_id = 1 @@ -41,18 +39,12 @@ [nuclear_data] type = FispactNuclearDataPaths base_path = "/Projects/FispactNuclearData/" - ND_IND_NUC_KEY = "/decay_2020_index.txt" - ND_XS_ENDF_KEY = "TENDL2021data/gendf-1102" - ND_PROB_TAB_KEY = "TENDL2021data/tp-1102-294" - ND_FY_ENDF_KEY = "GEFY61data/gefy61_nfy" - ND_SF_ENDF_KEY = "GEFY61data/gefy61_sfy" - ND_DK_ENDF_KEY = "decay_2020" - ND_ABSORP_KEY = "decay_2012/abs_2012" - ND_HAZARDS_KEY = "decay_2012/hazards_2012" - ND_CLEAR_KEY = "decay_2012/clear_2012" - ND_A2DATA_KEY = "decay_2012/a2_2012" - - execute_on = INITIAL + ND_IND_NUC_KEY = "ENDFB80data/endfb80_index.txt" + ND_XS_ENDF_KEY = "ENDFB80data/endfb80-n/gxs-709" + ND_FY_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80nfy" + ND_SF_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80sfy" + ND_DK_ENDF_KEY = "ENDFB80data/decay" + ND_ABSORP_KEY = "decay/abs_2012" [] [] From d1b7ccf338ac12d62ebdbf889726cd4dbca2d695 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 15:56:36 +0000 Subject: [PATCH 037/169] Changed input parameter to FispactProblem from nuclear data path to new nuclear data user object --- include/problems/FispactProblem.h | 4 ++-- src/problems/FispactProblem.C | 13 +++++++------ 2 files changed, 9 insertions(+), 8 deletions(-) diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 54f6c7c..673f570 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -83,7 +83,7 @@ class FispactProblem : public ExternalProblem { * resources required for fispact * */ - void setNuclearData(const std::string &nd_base_path); + void setNuclearData(const std::string &fp_nuclear_data_uo); /** * @@ -306,7 +306,7 @@ class FispactProblem : public ExternalProblem { std::unordered_map _element_strengths; /// Fispact nuclear data path - std::string _fp_nuclear_data_path; + std::string _fp_nuclear_data_uo; /// hdf5 filename for neutron flux std::string _neutron_flux_filename; diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 513b86c..323e5d6 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -66,8 +66,9 @@ InputParameters FispactProblem::validParams() { "neutron_flux_tally_id", "Path within HDF5 file for the vector storing neutron flux"); - params.addRequiredParam("fispact_nuclear_data_path", - "Path to FISPACT nuclear data"); + params.addRequiredParam( + "fispact_nuclear_data_uo", "Name of the FispactNuclearDataPaths objects " + "to use for setting nuclear data"); params.addRequiredParam("neutron_bin_type", "neutron binning scheme for FISPACT"); @@ -113,7 +114,7 @@ InputParameters FispactProblem::validParams() { FispactProblem::FispactProblem(const InputParameters ¶ms) : ExternalProblem(params), _fp_monitor(fispactLogName()), _fp_nuclear_data(_fp_monitor), - _fp_nuclear_data_path(getParam("fispact_nuclear_data_path")), + _fp_nuclear_data_uo(getParam("fispact_nuclear_data_uo")), _neutron_flux_filename(getParam("neutron_flux_file")), _neutron_flux_tally_id(getParam("neutron_flux_tally_id")), _photon_flux_filename(getParam("photon_flux_filename")), @@ -220,7 +221,7 @@ void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { void FispactProblem::externalSolve() { /// Set nuclear data paths - setNuclearData(_fp_nuclear_data_path); + setNuclearData(_fp_nuclear_data_uo); /// Set up fispact input data fp::InputData fispact_input(_fp_monitor); @@ -723,10 +724,10 @@ std::string FispactProblem::fispactLogName() { return log_name; } -void FispactProblem::setNuclearData(const std::string &nd_base_path) { +void FispactProblem::setNuclearData(const std::string &fp_nuclear_data_uo) { FispactNuclearDataPaths &nuclear_data_paths = - getUserObject("nuclear_data"); + getUserObject(fp_nuclear_data_uo); nuclear_data_paths.loadNuclearData(_fp_nuclear_data, _fp_monitor, load_callback); From eddde5ddbd03bebbff0a06dd5c5673ddf55d1110 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 15:59:15 +0000 Subject: [PATCH 038/169] Updated material tests to use new nuclear data user object parameter --- inputs/material_tests/fispact_fuel.i | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index eba87cd..f2456e5 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -18,6 +18,7 @@ molar_mass_data = '../../molar_masses.h5' fispact_schedule_uo = 'Schedule' + fispact_nuclear_data_uo = 'endf_nuclear_data' [] [UserObjects] @@ -36,7 +37,7 @@ density = 5 [] - [nuclear_data] + [endf_nuclear_data] type = FispactNuclearDataPaths base_path = "/Projects/FispactNuclearData/" ND_IND_NUC_KEY = "ENDFB80data/endfb80_index.txt" From e6ec3b14c03123468260c43e37f983fc346e9cbd Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 2 Feb 2026 16:02:10 +0000 Subject: [PATCH 039/169] Fixed nuclear data path in fispact_fuel example --- inputs/material_tests/fispact_fuel.i | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index f2456e5..caf82d6 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -40,7 +40,7 @@ [endf_nuclear_data] type = FispactNuclearDataPaths base_path = "/Projects/FispactNuclearData/" - ND_IND_NUC_KEY = "ENDFB80data/endfb80_index.txt" + ND_IND_NUC_KEY = "ENDFB80data/endfb80_index" ND_XS_ENDF_KEY = "ENDFB80data/endfb80-n/gxs-709" ND_FY_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80nfy" ND_SF_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80sfy" From d45c3a222f288d877608d1adad81fa3d93018caa Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 3 Feb 2026 15:48:25 +0000 Subject: [PATCH 040/169] Added r2s examples to repo --- inputs/r2s_multiapp/fispact_r2s.i | 75 ++++++++++++++++++ inputs/r2s_multiapp/geometry/cube_hex_dag.h5m | Bin 0 -> 57936 bytes inputs/r2s_multiapp/neutrons_input.i | 38 +++++++++ inputs/r2s_multiapp/photons_input.i | 31 ++++++++ 4 files changed, 144 insertions(+) create mode 100644 inputs/r2s_multiapp/fispact_r2s.i create mode 100644 inputs/r2s_multiapp/geometry/cube_hex_dag.h5m create mode 100644 inputs/r2s_multiapp/neutrons_input.i create mode 100644 inputs/r2s_multiapp/photons_input.i diff --git a/inputs/r2s_multiapp/fispact_r2s.i b/inputs/r2s_multiapp/fispact_r2s.i new file mode 100644 index 0000000..c9183e5 --- /dev/null +++ b/inputs/r2s_multiapp/fispact_r2s.i @@ -0,0 +1,75 @@ +[Mesh] + [fmg] + type = FileMeshGenerator + file = "./geometry/cube_hex.e" + [] +[] + +[AuxVariables] + [Photon_flux] + family = MONOMIAL + order = CONSTANT + [] +[] + + +[Problem] + type = FispactProblem + fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' + + neutron_flux_file = './statepoint.10.h5' + neutron_flux_tally_id = 2 + neutron_bin_type = 'G1102' + write_photon_flux = True + photon_flux_filename = 'photon_spectra_out' + comm_photon_flux = True + + fispact_schedule_uo = 'Schedule' + + molar_mass_data = '/home/bill/Projects/SINBAD/FNGPython/FISPACT/molar_masses.h5' +[] + +[UserObjects] + [Schedule] + type = FispactSchedule + times = '300 30 30 30 30 30' + flux_schedule = '1e10 0 0 0 0 0' + [] + + [steel] + type = FISPACTMaterial + material_type = FUEL + nuclides = "B10 B11 C12 C13 Si28 V50 V51 Cr50 Cr52 Cr53 Cr54 Mn55 Fe54 Fe56 Fe57 Fe58 Co59 Ni58 Ni60 Ni61 Ni62 Ni64 Mo92 Mo94 Mo95 Mo96 Mo97 Mo98 Mo100 Cu63 Cu65" + nuclide_fraction = "0.000693 0.002807 0.039520273803427465 0.000479726196572539 0.47 0.0003921925373160739 0.15960780746268394 0.73 14.07 1.6 0.4 1.14 3.95 62.51 1.46 0.2 0.14 7.31 2.79 0.12 0.38 0.1 0.2974760972643644 0.1906159496693566 0.33284984504744625 0.3533051306488447 0.20516502475964524 0.5254922939545649 0.21509565865577795 0.06 0.03" + block = 1 + density = 5 + [] +[] + +[MultiApps] + [photons] + type = FullSolveMultiApp + execute_on = timestep_end + app_type = 'CardinalApp' + input_files = '/home/bill/Projects/fizzy/inputs/r2s_multiapp/photons_input.i' + library_path = '/home/bill/Projects/cardinal/lib/' + library_name = 'libcardinal-opt.la' + [] +[] + +[Transfers] + [Photon_flux_from_cardinal] + type = MultiAppCopyTransfer + source_variable = 'photon_flux_photon' + variable = Photon_flux + from_multi_app='photons' + [../] +[] + +[Executioner] + type = Steady +[] + +[Outputs] + exodus = True +[] diff --git a/inputs/r2s_multiapp/geometry/cube_hex_dag.h5m b/inputs/r2s_multiapp/geometry/cube_hex_dag.h5m new file mode 100644 index 0000000000000000000000000000000000000000..472afae3666e0ba5526c17609b26a4e49bcfec8d GIT binary patch literal 57936 zcmeI5ZFpT(mB&xg7Xq{zP_%$AK|q2E1OzQO$}KcB1=_~8NCd|uG@*%;rkONl!Z>Of z9jW+22S*LVi$z2$h!jQX%s4Z5-n2S14x=;L(GSy^PyN`BKF@q`&OYn^J2z+DoZOqV z#pd=L9YJ9Iao!nGI9ghw#ZhbWkw3rD(fz-s0b}pe zhbGD0lKYzNLsJy~i=q|MpQZSow|Qe{XB0DukCa<)r z=|S}~k}^E2!1TMeMS(r-`Vby+^)OcPmki|1W8J42V@%h#jRVcO^H|p!9In9TNWa*+$^{ 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[Tallies] + [neutron_flux] + type = MeshTally + filters = 'neutron_filter energy_filter' + name = 'neutron_flux' + score = 'flux' + [] + [] + + [Filters] + [neutron_filter] + type = ParticleFilter + particles = 'neutron' + [] + [energy_filter] + type = EnergyFilter + group_structure = UKAEA_1102 + [] + [] +[] + +[Executioner] + type = Steady +[] + +[Outputs] + exodus = True +[] diff --git a/inputs/r2s_multiapp/photons_input.i b/inputs/r2s_multiapp/photons_input.i new file mode 100644 index 0000000..c0730fb --- /dev/null +++ b/inputs/r2s_multiapp/photons_input.i @@ -0,0 +1,31 @@ +[Mesh] + type = FileMesh + file = "./geometry/cube_hex.e" +[] + +[Problem] + type = OpenMCCellAverageProblem + cell_level = 0 + source_strength = 1 + xml_directory = './photons_xml/' + [Tallies] + [photon_flux] + type = MeshTally + filters = 'Photon' + name = 'photon_flux' + score = 'flux' + [] + [] + + [Filters] + [Photon] + type = ParticleFilter + particles = 'photon' + [] + [] +[] + +[Executioner] + type = 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z8Oxy-b_edA#vV<{|x#lZcXd>7focsO*2Zoqw3l7r1K3CdtF zaNi~0iMBFw?6|e^Ofn8t@%!PTd*Z% Date: Wed, 4 Feb 2026 10:13:25 +0000 Subject: [PATCH 042/169] Added xml settings files to r2s example --- inputs/r2s_multiapp/neutrons_xml/geometry.xml | 6 +++ .../r2s_multiapp/neutrons_xml/materials.xml | 30 +++++++++++++++ inputs/r2s_multiapp/neutrons_xml/settings.xml | 26 +++++++++++++ inputs/r2s_multiapp/photons_xml/geometry.xml | 6 +++ inputs/r2s_multiapp/photons_xml/materials.xml | 37 +++++++++++++++++++ inputs/r2s_multiapp/photons_xml/settings.xml | 16 ++++++++ 6 files changed, 121 insertions(+) create mode 100644 inputs/r2s_multiapp/neutrons_xml/geometry.xml create mode 100644 inputs/r2s_multiapp/neutrons_xml/materials.xml create mode 100644 inputs/r2s_multiapp/neutrons_xml/settings.xml create mode 100644 inputs/r2s_multiapp/photons_xml/geometry.xml create mode 100644 inputs/r2s_multiapp/photons_xml/materials.xml create mode 100644 inputs/r2s_multiapp/photons_xml/settings.xml diff --git a/inputs/r2s_multiapp/neutrons_xml/geometry.xml b/inputs/r2s_multiapp/neutrons_xml/geometry.xml new file mode 100644 index 0000000..9f47e79 --- /dev/null +++ b/inputs/r2s_multiapp/neutrons_xml/geometry.xml @@ -0,0 +1,6 @@ + + + + + + diff --git a/inputs/r2s_multiapp/neutrons_xml/materials.xml b/inputs/r2s_multiapp/neutrons_xml/materials.xml new file mode 100644 index 0000000..e101a0f --- /dev/null +++ b/inputs/r2s_multiapp/neutrons_xml/materials.xml @@ -0,0 +1,30 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/inputs/r2s_multiapp/neutrons_xml/settings.xml b/inputs/r2s_multiapp/neutrons_xml/settings.xml new file mode 100644 index 0000000..c9972be --- /dev/null +++ b/inputs/r2s_multiapp/neutrons_xml/settings.xml @@ -0,0 +1,26 @@ + + + fixed source + 500000 + 10 + 0 + + + + -50.0 50.0 0.0 1.0 + + + + + + 14080000.0 1.0 + + + +

false + false + + ttb + continuous-energy + 1000 + diff --git a/inputs/r2s_multiapp/photons_xml/geometry.xml b/inputs/r2s_multiapp/photons_xml/geometry.xml new file mode 100644 index 0000000..9f47e79 --- /dev/null +++ b/inputs/r2s_multiapp/photons_xml/geometry.xml @@ -0,0 +1,6 @@ + + + + + + diff --git a/inputs/r2s_multiapp/photons_xml/materials.xml b/inputs/r2s_multiapp/photons_xml/materials.xml new file mode 100644 index 0000000..79e80e0 --- /dev/null +++ b/inputs/r2s_multiapp/photons_xml/materials.xml @@ -0,0 +1,37 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/inputs/r2s_multiapp/photons_xml/settings.xml b/inputs/r2s_multiapp/photons_xml/settings.xml new file mode 100644 index 0000000..7361f6b --- /dev/null +++ b/inputs/r2s_multiapp/photons_xml/settings.xml @@ -0,0 +1,16 @@ + + + fixed source + 500000 + 5 + 0 + + + false + false + + ttb + continuous-energy + true + 10000 + From da15822989102be687cc5f642db6a03a351206c4 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 4 Feb 2026 13:30:46 +0000 Subject: [PATCH 043/169] Edited r2s multiapp example to work in container env --- inputs/r2s_multiapp/fispact_r2s.i | 26 ++++++++++++++----- inputs/r2s_multiapp/neutrons_xml/geometry.xml | 2 +- inputs/r2s_multiapp/photons_xml/geometry.xml | 2 +- inputs/r2s_multiapp/photons_xml/settings.xml | 2 +- 4 files changed, 22 insertions(+), 10 deletions(-) diff --git a/inputs/r2s_multiapp/fispact_r2s.i b/inputs/r2s_multiapp/fispact_r2s.i index c9183e5..8f31e4e 100644 --- a/inputs/r2s_multiapp/fispact_r2s.i +++ b/inputs/r2s_multiapp/fispact_r2s.i @@ -15,18 +15,19 @@ [Problem] type = FispactProblem - fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - neutron_flux_file = './statepoint.10.h5' neutron_flux_tally_id = 2 neutron_bin_type = 'G1102' - write_photon_flux = True + + write_photon_flux = False photon_flux_filename = 'photon_spectra_out' + comm_photon_flux = True - fispact_schedule_uo = 'Schedule' + molar_mass_data = '../../molar_masses.h5' - molar_mass_data = '/home/bill/Projects/SINBAD/FNGPython/FISPACT/molar_masses.h5' + fispact_schedule_uo = 'Schedule' + fispact_nuclear_data_uo = 'endf_nuclear_data' [] [UserObjects] @@ -44,6 +45,17 @@ block = 1 density = 5 [] + + [endf_nuclear_data] + type = FispactNuclearDataPaths + base_path = "/Projects/FispactNuclearData/" + ND_IND_NUC_KEY = "ENDFB80data/endfb80_index" + ND_XS_ENDF_KEY = "ENDFB80data/endfb80-n/gxs-709" + ND_FY_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80nfy" + ND_SF_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80sfy" + ND_DK_ENDF_KEY = "ENDFB80data/decay" + ND_ABSORP_KEY = "decay/abs_2012" + [] [] [MultiApps] @@ -51,8 +63,8 @@ type = FullSolveMultiApp execute_on = timestep_end app_type = 'CardinalApp' - input_files = '/home/bill/Projects/fizzy/inputs/r2s_multiapp/photons_input.i' - library_path = '/home/bill/Projects/cardinal/lib/' + input_files = '/Projects/Fizzy/inputs/r2s_multiapp/photons_input.i' + library_path = '/Projects/cardinal/lib/' library_name = 'libcardinal-opt.la' [] [] diff --git a/inputs/r2s_multiapp/neutrons_xml/geometry.xml b/inputs/r2s_multiapp/neutrons_xml/geometry.xml index 9f47e79..18aadbe 100644 --- a/inputs/r2s_multiapp/neutrons_xml/geometry.xml +++ b/inputs/r2s_multiapp/neutrons_xml/geometry.xml @@ -1,6 +1,6 @@ - + diff --git a/inputs/r2s_multiapp/photons_xml/geometry.xml b/inputs/r2s_multiapp/photons_xml/geometry.xml index 9f47e79..18aadbe 100644 --- a/inputs/r2s_multiapp/photons_xml/geometry.xml +++ b/inputs/r2s_multiapp/photons_xml/geometry.xml @@ -1,6 +1,6 @@ - + diff --git a/inputs/r2s_multiapp/photons_xml/settings.xml b/inputs/r2s_multiapp/photons_xml/settings.xml index 7361f6b..0bc98f1 100644 --- a/inputs/r2s_multiapp/photons_xml/settings.xml +++ b/inputs/r2s_multiapp/photons_xml/settings.xml @@ -4,7 +4,7 @@ 500000 5 0 - + false false From 9b3c48d167112e45827ad1778ad09b228403f6c6 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Wed, 4 Feb 2026 14:38:26 +0000 Subject: [PATCH 044/169] Added check on provided statepoint file, to see if the dimensions of the neutron flux results make sense for the provided mesh --- src/problems/FispactProblem.C | 26 ++++++++++++++++++++------ 1 file changed, 20 insertions(+), 6 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index 323e5d6..f7f24f0 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -421,22 +421,36 @@ FispactProblem::readElementNeutronFlux(const std::string &filename, hid_t neutron_tally_group_id = hdf5_utils::open_group(tallies_group_id, tally_group_name); - /// Define size of selection of neutron flux - hsize_t dims[3]{static_cast(_num_neutron_bins), 1, 1}; - hsize_t start[]{elem_id * _num_neutron_bins, 0, 0}; - hsize_t count[]{static_cast(_num_neutron_bins), 1, 1}; - /// Get number of tally realizations int n_realizations; hdf5_utils::read_int(neutron_tally_group_id, "n_realizations", &n_realizations, parallel, true); + /// Define size of selection of neutron flux + hsize_t dataset_dims[3]; + hsize_t hyperslab_dims[3]{static_cast(_num_neutron_bins), 1, 1}; + hsize_t start[]{elem_id * _num_neutron_bins, 0, 0}; + hsize_t count[]{static_cast(_num_neutron_bins), 1, 1}; + + // Check this statepoint file is of + hid_t flux_dataset = + hdf5_utils::open_dataset(neutron_tally_group_id, "results"); + hdf5_utils::get_shape(flux_dataset, dataset_dims); + + if (dataset_dims[0] != _num_neutron_bins * _mesh.getMesh().n_elem()) { + mooseError("Provided tally dimensions do not conform to this mesh and " + "neutron bin structure. Tally dimensions are (" + + std::to_string(dataset_dims[0]) + "," + + std::to_string(dataset_dims[1]) + "," + + std::to_string(dataset_dims[2]) + ")"); + } + std::vector neutron_flux_results(_num_neutron_bins, 0); /// Number of dimensions of hyperslab to read hsize_t rank = 3; hdf5_utils::read_double_hyperslab(neutron_tally_group_id, "results", rank, - dims, start, count, + hyperslab_dims, start, count, neutron_flux_results.data(), parallel); hdf5_utils::close_group(tallies_group_id); From 2b980aa987fa5eb86c7dd8672f79bd5f195c0746 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Fri, 6 Feb 2026 14:48:21 +0000 Subject: [PATCH 045/169] Added HDF52.0 compatible macro to test for HDF5 MPI compatibility --- src/problems/FispactProblem.C | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index f7f24f0..d7d74af 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -298,7 +298,10 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { #ifdef H5_HAVE_PARALLEL bool parallel = true; #else - bool parallel = false; + mooseWarning( + "Writing photon flux requires HDF5 compiled with MPI. " + "Simulation continuing, but photon spectra will not be written."); + return; #endif /// Open OpenMC statepoint file with Neutron Flux hid_t file_id = @@ -343,9 +346,9 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { /// count specifies the number of entries we wish to write in each dimension hsize_t count[2] = {1, _num_photon_bins}; - hdf5_utils::write_double_hyperslab(h5_dataset, nullptr, ndim, - hyperslab_dims, start, count, - element_flux_pair.second.data(), true); + hdf5_utils::write_double_hyperslab( + h5_dataset, nullptr, ndim, hyperslab_dims, start, count, + element_flux_pair.second.data(), parallel); } /// Close all the HDF5 bits and pieces H5Dclose(h5_dataset); From 68c87c53a41b1dd79d059769ca9963047fb00560 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Sat, 7 Feb 2026 00:31:40 +0000 Subject: [PATCH 046/169] Removed unused HDF5 C++ include --- include/utils/HDF5Utils.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/include/utils/HDF5Utils.h b/include/utils/HDF5Utils.h index add9657..e3c74eb 100644 --- a/include/utils/HDF5Utils.h +++ b/include/utils/HDF5Utils.h @@ -1,8 +1,8 @@ #pragma once -#include "H5Cpp.h" #include #include +#include #include #include #include From 9554f9ed43bc6dc5639d27f8110395d17973349b Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Sat, 7 Feb 2026 00:43:50 +0000 Subject: [PATCH 047/169] Removed hdf5_cpp link in Makefile --- Makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Makefile b/Makefile index 29ced6d..8bb71f3 100644 --- a/Makefile +++ b/Makefile @@ -96,7 +96,7 @@ PUGIXML_LIB_DIR ?= ${PUGIXML_DIR}/build/ HDF5_DIR ?= /usr/lib/x86_64-linux-gnu/hdf5/openmpi/lib/ -ADDITIONAL_LIBS := -L$(FISPACT_LIB_DIR) -ljsonfortran -lmonitor -lfispact -lfispactapi -lfmt -L$(PUGIXML_LIB_DIR) -lpugixml -L$(HDF5_DIR) -lhdf5 -lhdf5_cpp +ADDITIONAL_LIBS := -L$(FISPACT_LIB_DIR) -ljsonfortran -lmonitor -lfispact -lfispactapi -lfmt -L$(PUGIXML_LIB_DIR) -lpugixml -L$(HDF5_DIR) -lhdf5 ADDITIONAL_LIBS += $(CC_LINKER_SLFLAG)$(FISPACT_LIB_DIR) ADDITIONAL_CPPFLAGS += $(FISPACT_INCLUDES) ${PUGIXML_INCLUDES} From 1ab8f0bfd385ecf19400841b91589ed4e2fb36ca Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 9 Feb 2026 00:15:19 +0000 Subject: [PATCH 048/169] Fixed silly bug where I accumulated isotope atoms as looping over elements, so the last element in the loop would get up with loads more atoms --- src/problems/FispactProblem.C | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index d7d74af..e5324c6 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -524,18 +524,23 @@ void FispactProblem::setFispactInputData( const std::unordered_map &nuclideFractionMap = material.getNuclideFractionMap(); + std::vector zais; + zais.reserve(nuclideFractionMap.size()); + std::vector atoms; + atoms.reserve(nuclideFractionMap.size()); + /// For all key (isotope name) value (mass_fraction) pairs in map, calculate /// the number of atoms pertaining to each isotope and append to input fuel for (const auto &[isotope_name, mass_fraction] : nuclideFractionMap) { double zai_mass = total_mass * mass_fraction; - double zai = fp::util::GetZai(monitor, isotope_name); - - double atoms = getNumAtoms(zai_mass, _molar_mass_map.at(zai), AVOGADRO); + zais.push_back(fp::util::GetZai(monitor, isotope_name)); - input.appendFuel(zai, atoms); + atoms.push_back( + getNumAtoms(zai_mass, _molar_mass_map.at(zais.back()), AVOGADRO)); } + input.setFuel(zais, atoms); } /// Get the fispact input schdule from the user object and set it in the From 9151e9f0b5067dee5b33b78e08e0637f85884289 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 9 Feb 2026 11:40:50 +0000 Subject: [PATCH 049/169] Changed geometry used in examples so it's consistent --- example_geom/cube.e | Bin 6832 -> 0 bytes geometry/cube.e | Bin 0 -> 4316 bytes geometry/cube_dag.h5m | Bin 0 -> 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b/inputs/r2s_multiapp/photons_xml/geometry.xml @@ -1,6 +1,6 @@ - + From 3913cd66a8d07a662e72d7b5b130d176b98fbebb Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 9 Feb 2026 11:44:08 +0000 Subject: [PATCH 050/169] Scaled example geometry to correct size --- geometry/cube.e | Bin 4316 -> 4312 bytes geometry/cube_dag.h5m | Bin 49632 -> 49632 bytes 2 files changed, 0 insertions(+), 0 deletions(-) diff --git a/geometry/cube.e b/geometry/cube.e index 6356ac16704e2860315892ae89d77f9187dc1acf..5f40eb522f54867d60b24c273bcead091abba72d 100644 GIT binary patch delta 580 zcmcbkctdf+W=2N$$y*o|IMP$|b5l!-Dknc+lw>tAwlX%J{EyL+@y28eCVe28!DP>P zXYvXrZN>+auK>v%lbE#`Crs91_GZkOT*2%QBu{`z2^Mo8JAg%-@y+BK7JbGwlh?55 zOXn~!FffAf0Z$+a1PFTaLN+m`1D+s?3sn@2n*@`En83i`05ywJ8fGrU5!l`01XDz+ zWiWjZ!?j>s!hV=s$gXCE%Ql!XxM&A(cuK*vqbq|*YvGoLIS)b~@Z6lnp2H4J7KQ9G Olk>R+HZ$|zWCQ>vk7U9C delta 596 zcmcbict>%=W=2Nu$y*o|cv348a|?1(usure^5{EN|&@y=uuCVe28 z!er0*VDb_sZN?{)F969slm7t8DU&sry%}>RmoWPS$s=G=gvA`l_F>Ux{4lwKMW1oQ z(gcA3rZ`Cc*t02P9Y_W%F@ diff --git a/geometry/cube_dag.h5m b/geometry/cube_dag.h5m index bafd8b5b7e1d796840b87f248637c45d6dc14f12..e18deeec8ed375def90789e44faaffc78b04171e 100644 GIT binary patch delta 1331 zcma)5JxfAS7``c9`XZbh#3Y)dA%nufj=6Lj92y!*L_$d1YZ43`l9miXrKONs8lpIB z!xMYNBKHld&iVkYQK`r<)j0MUc%~9+tw3$dIw)y9B zF6=5iyPlr|eBO%B0`_*6W+2&TW1#)Cqfj~8!w z;p7b(c)WNRKrMW#v|h$r=u;g)&Ph!=g#gm4o z3rikf0qO>-v}I9V`=+jV)eY(ZA_WZ{3r(LmQ#W5u>%ZpQ{dDjFz5<~l=;Hw9P$$kX zq3294JU<0jD$oXUjQKcIjw5bfBV}}Hy>6jtohGh*%A5Wa?l5=Tyf@{tC^76rgzN^n zQyMLO=o7%_iF!=g)B>*ee=$3SF4I6Q|IO)noWnMQFZ}pjyU#ho$5Gr|r#a?~I%=bN Pp>Fca4mga9$CcPO-k#T5 delta 1331 zcmb7DJxfAS7``c9`XZbh!X%m_LI}aZtGPsjLqkK!MM6m0YZ7kYkhG*+P-!WomWC(} zGzB_1`xE5;0FnMc(s|E0@2j4;WDY()AMf+NetDIkR|&oiqk)f}JBogX;)&$mF8kWZ zhq=OXJN6RbYa+G?*tgaeAUQ~nfetc)veCZ8akdc=cIL%RpBCZeINN3i`Em$e$BOr? zaP|oeELJ=YpcX!tTEAqjf;Qme*Oy}4ZnatUY8#Fba^Z$rOVzT8a_x@fR_zIvu~b9e zlxs?~Tc(Jo8bkN!VGAa6&7PZlJd`E3^{(l79YZ|+L`%#0anunzY7Y4i(F3=|L?ij+J|Chtt1D?gY&zsR7F6J6} From 955db5d36cbee718d513a422e325c4e43bd6cf33 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Mon, 9 Feb 2026 13:31:25 +0000 Subject: [PATCH 051/169] Fixed material definitions in r2s example --- inputs/r2s_multiapp/fispact_r2s.i | 12 +++- inputs/r2s_multiapp/photons_xml/materials.xml | 57 ++++++++----------- 2 files changed, 34 insertions(+), 35 deletions(-) diff --git a/inputs/r2s_multiapp/fispact_r2s.i b/inputs/r2s_multiapp/fispact_r2s.i index b1cd91d..dc7088a 100644 --- a/inputs/r2s_multiapp/fispact_r2s.i +++ b/inputs/r2s_multiapp/fispact_r2s.i @@ -40,10 +40,10 @@ [steel] type = FISPACTMaterial material_type = FUEL - nuclides = "B10 B11 C12 C13 Si28 V50 V51 Cr50 Cr52 Cr53 Cr54 Mn55 Fe54 Fe56 Fe57 Fe58 Co59 Ni58 Ni60 Ni61 Ni62 Ni64 Mo92 Mo94 Mo95 Mo96 Mo97 Mo98 Mo100 Cu63 Cu65" - nuclide_fraction = "0.000693 0.002807 0.039520273803427465 0.000479726196572539 0.47 0.0003921925373160739 0.15960780746268394 0.73 14.07 1.6 0.4 1.14 3.95 62.51 1.46 0.2 0.14 7.31 2.79 0.12 0.38 0.1 0.2974760972643644 0.1906159496693566 0.33284984504744625 0.3533051306488447 0.20516502475964524 0.5254922939545649 0.21509565865577795 0.06 0.03" + nuclides = "C13 C12 Mn55 P31 S34 S32 S33 S36 Si28 Si29 Si30 Cr53 Cr50 Cr52 Cr54 Ni62 Ni60 Ni64 Ni58 Ni61 Fe56 Fe58 Fe57 Fe54" + nuclide_fraction = "1.5132548e-05 0.00135086745 0.01991 0.000795 2.14834688e-05 0.000486608589 3.8332928e-06 7.46496e-08 0.0179598856 0.000911951747 0.000601162667 0.0189874635 0.00868335215 0.167449803 0.00472638155 0.0033866271 0.0244346846 0.00086247408 0.0634340554 0.00106215882 0.610087944 0.00187506594 0.0140895912 0.0388643986" block = 1 - density = 5 + density = 8 [] [endf_nuclear_data] @@ -85,3 +85,9 @@ [Outputs] exodus = True [] + + + + + + diff --git a/inputs/r2s_multiapp/photons_xml/materials.xml b/inputs/r2s_multiapp/photons_xml/materials.xml index 79e80e0..e101a0f 100644 --- a/inputs/r2s_multiapp/photons_xml/materials.xml +++ b/inputs/r2s_multiapp/photons_xml/materials.xml @@ -1,37 +1,30 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + From bb8b8a96f01bbd820f43de97c763e7417023f52c Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 10 Feb 2026 14:39:06 +0000 Subject: [PATCH 052/169] Added FispactTimes Times object to pass times defined in FispactSchedule to executioner --- include/times/FispactScheduleTimes.h | 16 ++++++++++++++ include/userobjects/FispactSchedule.h | 4 ++-- src/times/FispactScheduleTimes.C | 31 +++++++++++++++++++++++++++ src/userobjects/FispactSchedule.C | 4 ++-- 4 files changed, 51 insertions(+), 4 deletions(-) create mode 100644 include/times/FispactScheduleTimes.h create mode 100644 src/times/FispactScheduleTimes.C diff --git a/include/times/FispactScheduleTimes.h b/include/times/FispactScheduleTimes.h new file mode 100644 index 0000000..8af20ff --- /dev/null +++ b/include/times/FispactScheduleTimes.h @@ -0,0 +1,16 @@ +#pragma once +// Moose includes +#include "Times.h" + +/** + * Simple times from an input parameter + */ +class FispactScheduleTimes : public Times { +public: + static InputParameters validParams(); + FispactScheduleTimes(const InputParameters ¶meters); + virtual ~FispactScheduleTimes() = default; + +protected: + virtual void initialize() override {} +}; diff --git a/include/userobjects/FispactSchedule.h b/include/userobjects/FispactSchedule.h index bdfbc69..c53b088 100644 --- a/include/userobjects/FispactSchedule.h +++ b/include/userobjects/FispactSchedule.h @@ -12,8 +12,8 @@ class FispactSchedule : public GeneralUserObject { virtual void finalize() {} virtual void execute() {} - const std::vector &getFluxSchedule(); - const std::vector &getTimes(); + const std::vector &getFluxSchedule() const; + const std::vector &getTimes() const; protected: /// Vector of flux amplitudes diff --git a/src/times/FispactScheduleTimes.C b/src/times/FispactScheduleTimes.C new file mode 100644 index 0000000..c797469 --- /dev/null +++ b/src/times/FispactScheduleTimes.C @@ -0,0 +1,31 @@ +#include "FispactSchedule.h" +#include "FispactScheduleTimes.h" + +registerMooseObject("MooseApp", FispactScheduleTimes); + +InputParameters FispactScheduleTimes::validParams() { + InputParameters params = Times::validParams(); + params.addClassDescription( + "Times set from a FispactSchedule UserObject defined in the input file"); + + params.addRequiredParam>( + "times", "Times to store in the times vector"); + + params.addRequiredParam( + "FispactSchedule", + "Name of the FispactSchedule UserObject used to set times"); + + // Times are known for all processes already + params.set("auto_broadcast") = false; + params.set("dynamic_time_sequence") = false; + + return params; +} + +FispactScheduleTimes::FispactScheduleTimes(const InputParameters ¶meters) + : Times(parameters) { + + const FispactSchedule &schedule = + getUserObject(getParam("FispactSchedule")); + _times = schedule.getTimes(); +} diff --git a/src/userobjects/FispactSchedule.C b/src/userobjects/FispactSchedule.C index f96c661..a154bc3 100644 --- a/src/userobjects/FispactSchedule.C +++ b/src/userobjects/FispactSchedule.C @@ -25,8 +25,8 @@ FispactSchedule::FispactSchedule(const InputParameters ¶meters) "The length of the flux_schdule and times must be equal"); } -const std::vector &FispactSchedule::getFluxSchedule() { +const std::vector &FispactSchedule::getFluxSchedule() const { return _flux_schedule; } -const std::vector &FispactSchedule::getTimes() { return _times; } +const std::vector &FispactSchedule::getTimes() const { return _times; } From 60d57ce57887b1c980c67bf2f759b5dcfee9d023 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Tue, 10 Feb 2026 15:26:48 +0000 Subject: [PATCH 053/169] Added options to FispactScheduleTimes to allow for only a subset of the times within the FispactSchedule to be passed to the executioner --- src/times/FispactScheduleTimes.C | 22 +++++++++++++++++++++- 1 file changed, 21 insertions(+), 1 deletion(-) diff --git a/src/times/FispactScheduleTimes.C b/src/times/FispactScheduleTimes.C index c797469..5632894 100644 --- a/src/times/FispactScheduleTimes.C +++ b/src/times/FispactScheduleTimes.C @@ -15,6 +15,13 @@ InputParameters FispactScheduleTimes::validParams() { "FispactSchedule", "Name of the FispactSchedule UserObject used to set times"); + params.addParam>( + "FispactScheduleTimeIndices", + "The indices of the values within the schedule times the user wishes to " + "give to the executioner. This is useful if the user wishes to only " + "store data and/or run multiapps at a subset of the times defined within " + "the FispactSchedule"); + // Times are known for all processes already params.set("auto_broadcast") = false; params.set("dynamic_time_sequence") = false; @@ -27,5 +34,18 @@ FispactScheduleTimes::FispactScheduleTimes(const InputParameters ¶meters) const FispactSchedule &schedule = getUserObject(getParam("FispactSchedule")); - _times = schedule.getTimes(); + + if (isParamValid("FispactScheduleTimeIndices")) { + std::vector indices = + getParam>("FispactScheduleTimeIndices"); + + std::vector schedule_times = schedule.getTimes(); + for (int index : indices) { + _times.push_back(schedule_times[index]); + } + _times = schedule.getTimes(); + } else { + + _times = schedule.getTimes(); + } } From 62669a9ad46649c2b0ea638457ebfd023a6944ac Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 12 Feb 2026 15:35:16 +0000 Subject: [PATCH 054/169] Integrated functionality for Fizzy to interface with MOOSEs timestepper + executioner. Initial gross big horrible commit --- include/problems/FispactProblem.h | 53 ++-- include/times/FispactScheduleTimes.h | 5 + include/userobjects/FispactSchedule.h | 4 + inputs/time_dependent/transient_fispact.i | 68 +++++ src/problems/FispactProblem.C | 328 +++++++++++++--------- src/times/FispactScheduleTimes.C | 44 +-- src/userobjects/FispactSchedule.C | 7 + 7 files changed, 343 insertions(+), 166 deletions(-) create mode 100644 inputs/time_dependent/transient_fispact.i diff --git a/include/problems/FispactProblem.h b/include/problems/FispactProblem.h index 673f570..34918c4 100644 --- a/include/problems/FispactProblem.h +++ b/include/problems/FispactProblem.h @@ -51,7 +51,7 @@ class FispactProblem : public ExternalProblem { static InputParameters validParams(); - // virtual void initialSetup() override; + virtual void initialSetup() override; virtual void externalSolve() override; virtual void syncSolutions(ExternalProblem::Direction direction) override; virtual bool converged(unsigned int) override { return true; } @@ -111,7 +111,8 @@ class FispactProblem : public ExternalProblem { * photon flux * */ - void writePhotonFlux(const std::string &filename); + void writePhotonFlux(const std::string &filename, + const std::vector &inventory_times); /** * Method used within @ref writePhotonFlux to write the photon energy bins @@ -166,13 +167,15 @@ class FispactProblem : public ExternalProblem { /** * Converts FISPACT gamma spectra outputs from MeV s^-1 to cm^-3 s^-1 * @param[in] input FISPACT input - * @param[in] photon_spectra - * @param[in] photon_flux_bins - * @param[out] photons_per_cc_per_s + * @param[in] photon_energy_spectra_ev Photon energy spectra as output by + * FISPACT + * @param[out] photon_energy_spectra_per_cc_s Photon energy spectra in + * photons/cc-s */ - void convertGammaEvToCount(const fp::InputData &input, - const std::vector &photon_spectra, - std::vector &photons_per_cc_per_s); + void + convertGammaEvToCount(const fp::InputData &input, + const std::vector &photon_energy_spectra_ev, + std::vector &photon_energy_spectra_per_cc_s); /** * Calculates the total strength of one elements photon source term * @param[in] element a ptr to the libmesh element whose strength we are @@ -187,13 +190,13 @@ class FispactProblem : public ExternalProblem { /** * */ - void insertElementStrength(const libMesh::Elem *element, + void insertElementStrength(const int inv_index, const libMesh::Elem *element, const std::vector element_flux); /** * */ - void updateLocalDomainStrength(const libMesh::Elem *element); + void calculateLocalDomainStrength(); /** * @@ -273,6 +276,12 @@ class FispactProblem : public ExternalProblem { } return _photon_bins; } + + int photonEnergySpectraIdx(int inv_idx, int elem_id) { + return (inv_idx * (_mesh.nActiveLocalElem() * _num_photon_bins)) + + (_local_elem_index[elem_id] * _num_photon_bins); + } + /** * */ @@ -300,10 +309,12 @@ class FispactProblem : public ExternalProblem { std::unordered_map> _neutron_fluxes; /// FISPACT Photon fluxes - std::unordered_map> _photon_fluxes; + /// Indexed by time major, element id minor + std::vector _photon_energy_spectra; - /// - std::unordered_map _element_strengths; + /// Vector to store all local element strengths over all inventory times + /// Indexed by time major, element id minor + std::vector _element_strengths; /// Fispact nuclear data path std::string _fp_nuclear_data_uo; @@ -343,14 +354,16 @@ class FispactProblem : public ExternalProblem { /// int _num_photon_bins; + /// Number of FISPACT inventories + int _n_inventories; /// std::string _schedule_uo_name; - /// - double _local_domain_strength; + /// Vector to store local domain strength over all inventory times + std::vector _local_domain_strength; - /// - double _total_domain_strength; + /// Vector to store local domain strength over all inventory times + std::vector _total_domain_strength; /// bool _write_photon_flux; @@ -358,6 +371,9 @@ class FispactProblem : public ExternalProblem { /// bool _comm_photon_flux; + /// + bool _solved; + /// name given to the interprocess memory segment generated by this rank const std::string _interprocess_segment_name; @@ -365,4 +381,7 @@ class FispactProblem : public ExternalProblem { /// Map from element ZAI to molar mass (g/mol) std::unordered_map _molar_mass_map; + + /// Map from global element id to "local element id" + std::unordered_map _local_elem_index; }; diff --git a/include/times/FispactScheduleTimes.h b/include/times/FispactScheduleTimes.h index 8af20ff..e48c3eb 100644 --- a/include/times/FispactScheduleTimes.h +++ b/include/times/FispactScheduleTimes.h @@ -1,5 +1,6 @@ #pragma once // Moose includes +#include "FispactSchedule.h" #include "Times.h" /** @@ -13,4 +14,8 @@ class FispactScheduleTimes : public Times { protected: virtual void initialize() override {} + + const FispactSchedule &_schedule; + + std::vector _fispact_times; }; diff --git a/include/userobjects/FispactSchedule.h b/include/userobjects/FispactSchedule.h index c53b088..8faf3b2 100644 --- a/include/userobjects/FispactSchedule.h +++ b/include/userobjects/FispactSchedule.h @@ -14,6 +14,7 @@ class FispactSchedule : public GeneralUserObject { const std::vector &getFluxSchedule() const; const std::vector &getTimes() const; + const std::vector &getCumulativeTimes() const; protected: /// Vector of flux amplitudes @@ -21,4 +22,7 @@ class FispactSchedule : public GeneralUserObject { /// List of times corresponding to the list of flux amplitudes on or off const std::vector _times; + + /// Cumulative version of _times + std::vector _cumulative_times; }; diff --git a/inputs/time_dependent/transient_fispact.i b/inputs/time_dependent/transient_fispact.i new file mode 100644 index 0000000..4991908 --- /dev/null +++ b/inputs/time_dependent/transient_fispact.i @@ -0,0 +1,68 @@ +[Mesh] + [fmg] + type = FileMeshGenerator + file = "../../geometry/cube.e" + [] +[] + +[Problem] + type = FispactProblem + + neutron_flux_file = './../statepoint_neutrons.10.h5' + neutron_flux_tally_id = 1 + neutron_bin_type = 'G1102' + + write_photon_flux = True + photon_flux_filename = 'photon_spectra_out' + + molar_mass_data = '../../molar_masses.h5' + + fispact_schedule_uo = 'Schedule' + fispact_nuclear_data_uo = 'endf_nuclear_data' +[] + +[UserObjects] + [Schedule] + type = FispactSchedule + times = '300 30 30 30 30 30' + flux_schedule = '1e10 0 0 0 0 0' + [] + + [steel] + type = FISPACTMaterial + material_type = FUEL + nuclides = "C13 C12 Mn55 P31 S34 S32 S33 S36 Si28 Si29 Si30 Cr53 Cr50 Cr52 Cr54 Ni62 Ni60 Ni64 Ni58 Ni61 Fe56 Fe58 Fe57 Fe54" + nuclide_fraction = "1.5132548e-05 0.00135086745 0.01991 0.000795 2.14834688e-05 0.000486608589 3.8332928e-06 7.46496e-08 0.0179598856 0.000911951747 0.000601162667 0.0189874635 0.00868335215 0.167449803 0.00472638155 0.0033866271 0.0244346846 0.00086247408 0.0634340554 0.00106215882 0.610087944 0.00187506594 0.0140895912 0.0388643986" + block = 1 + density = 8 + [] + + [endf_nuclear_data] + type = FispactNuclearDataPaths + base_path = "/home/bill/Projects/FispactNuclearData/" + ND_IND_NUC_KEY = "ENDFB80data/endfb80_index" + ND_XS_ENDF_KEY = "ENDFB80data/endfb80-n/gxs-709" + ND_FY_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80nfy" + ND_SF_ENDF_KEY = "ENDFB80data/endfb80-n/endfb80sfy" + ND_DK_ENDF_KEY = "ENDFB80data/decay" + ND_ABSORP_KEY = "decay/abs_2012" + [] +[] + +[Times] + [FizzyTimes] + type = FispactScheduleTimes + FispactScheduleName = Schedule + [] +[] + +[Executioner] + type = Transient + + [TimeStepper] + type = TimeSequenceFromTimes + times = FizzyTimes + use_last_t_for_end_time = True + [] + +[] diff --git a/src/problems/FispactProblem.C b/src/problems/FispactProblem.C index e5324c6..09d1391 100644 --- a/src/problems/FispactProblem.C +++ b/src/problems/FispactProblem.C @@ -1,3 +1,4 @@ +#include "ExternalProblem.h" #include "FispactProblem.h" #include "../../include/userobjects/FispactNuclearDataPaths.C" @@ -73,7 +74,7 @@ InputParameters FispactProblem::validParams() { params.addRequiredParam("neutron_bin_type", "neutron binning scheme for FISPACT"); - params.addRequiredParam( + params.addRequiredParam( "fispact_schedule_uo", "Name of the FispactSchedule user object defining " "the FISPACT flux schedule"); @@ -122,7 +123,7 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) _materials_xml_file(getParam("materials_xml_file")), _neutron_bin_type(getParam("neutron_bin_type")), _num_photon_bins(getParam("num_photon_bins")), - _schedule_uo_name(getParam("fispact_schedule_uo")), + _schedule_uo_name(getParam("fispact_schedule_uo")), _local_domain_strength(0), _total_domain_strength(0), _write_photon_flux(getParam("write_photon_flux")), _comm_photon_flux(getParam("comm_photon_flux")), @@ -187,110 +188,156 @@ FispactProblem::FispactProblem(const InputParameters ¶ms) } } -void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { - if (direction == ExternalProblem::Direction::FROM_EXTERNAL_APP) { +void FispactProblem::initialSetup() { + ExternalProblem::initialSetup(); - if (_comm_photon_flux) { -#ifdef LIBMESH_HAVE_BOOST + /// Set nuclear data paths + setNuclearData(_fp_nuclear_data_uo); - /// Create vector to store all local domain strengths - std::vector local_domain_strengths; + /// Get n FISPACT Schedule Times + FispactSchedule &schedule = getUserObject(_schedule_uo_name); - /// Gather local domain strengths from all processors - comm().allgather(_local_domain_strength, local_domain_strengths); + /// Set _n_inventories + _n_inventories = schedule.getTimes().size(); - /// Calculate TotalDomainStrength - getTotalDomainStrength(); + /// Reserve space in our solution vector + _photon_energy_spectra.resize( + _mesh.nActiveLocalElem() * _n_inventories * _num_photon_bins, 0); - /// Create a shared instantiation of the photon sharing class - PhotonSharingData *photon_sharing_instance = - _segment.construct( - "PhotonSharingData photon_sharing_instance")( - _segment, _photon_fluxes, _element_strengths, _num_photon_bins, - (int)_mesh.getMesh().n_active_local_elem(), - _total_domain_strength, _local_domain_strength, - local_domain_strengths, _photon_bins); -#else - mooseError("_comm_photon_flux is set to true but libmesh was not built " - "with BOOST. No communication occuring."); -#endif - } + /// Reserve space for element strengths vector + _element_strengths.resize(_mesh.nActiveLocalElem() * _n_inventories, 0); + + _local_domain_strength.reserve(_n_inventories); + + _total_domain_strength.reserve(_n_inventories); + + /// Set up local element index map + int local_elem_idx = 0; + for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { + _local_elem_index.insert( + std::pair(element->id(), local_elem_idx++)); } } void FispactProblem::externalSolve() { - /// Set nuclear data paths - setNuclearData(_fp_nuclear_data_uo); + if (!_solved) { - /// Set up fispact input data - fp::InputData fispact_input(_fp_monitor); - fp::OutputData fispact_output(_fp_monitor); + /// Set up fispact input data + fp::InputData fispact_input(_fp_monitor); + fp::OutputData fispact_output(_fp_monitor); - int counter = 1; - for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { + int counter = 1; + for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { - /// Get element id - dof_id_type elem_id = element->id(); + /// Get element id + dof_id_type elem_id = element->id(); - _console << "Elem ID: " << std::to_string(elem_id) << std::endl; + _console << std::endl + << "Elem ID: " << std::to_string(elem_id) << std::endl; - std::vector neutron_flux = readElementNeutronFlux( - _neutron_flux_filename, elem_id, _neutron_flux_tally_id); + std::vector neutron_flux = readElementNeutronFlux( + _neutron_flux_filename, elem_id, _neutron_flux_tally_id); - /// Output how many elements have been checked - _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() - << std::endl; + /// Output how many elements have been checked + _console << counter++ << "/" << _mesh.getMesh().n_active_local_elem() + << std::endl; - std::vector photon_spectra(_num_photon_bins, 0); + /// If there is flux in the element, run FISPACT + if (isFlux(neutron_flux)) { + /// Here we are assuming the input mesh is in centimeters + double element_volume = element->volume(); - /// Check if there is any neutron flux in current element - bool is_flux = isFlux(neutron_flux); + /// Get element material definition + const FISPACTMaterial &mat = getElementMaterial(elem_id); - /// If there is flux in the element, run FISPACT - if (is_flux) { - /// Here we are assuming the input mesh is in centimeters - double element_volume = element->volume(); + setFispactInputData(_fp_monitor, mat, neutron_flux, element_volume, + fispact_input); + /// Run FISPACT + fp::Process(fispact_input, _fp_nuclear_data, fispact_output, + _fp_monitor, process_callback); - /// Get element material definition - const FISPACTMaterial &mat = getElementMaterial(elem_id); + /// If photon bins aren't set yet, set them + if (_photon_bins.empty()) { + setPhotonBins(fispact_output); + } - setFispactInputData(_fp_monitor, mat, neutron_flux, element_volume, - fispact_input); - /// Run FISPACT - fp::Process(fispact_input, _fp_nuclear_data, fispact_output, _fp_monitor, - process_callback); + /// Vector to store photon energy spectra in photons/cc-s + std::vector element_photon_energy_spectrum(_num_photon_bins, 0); - /// If photon bins aren't set yet, set them - if (_photon_bins.empty()) { - setPhotonBins(fispact_output); - } + /// Loop over number of inventories to get all data for current element + for (int inv_index = 0; inv_index < _n_inventories; inv_index++) { - convertGammaEvToCount(fispact_input, - fispact_output.getGammaSpectrumBins(1), - photon_spectra); + convertGammaEvToCount( + fispact_input, fispact_output.getGammaSpectrumBins(inv_index + 1), + element_photon_energy_spectrum); + + _photon_energy_spectra.insert( + _photon_energy_spectra.begin() + + photonEnergySpectraIdx(inv_index, elem_id), + element_photon_energy_spectrum.begin(), + element_photon_energy_spectrum.end()); + + /** + * Calculate photon source strength of this element and insert it into + * _element_strengths + */ + insertElementStrength(inv_index, element, + element_photon_energy_spectrum); + } + } + } + /// Calculate _local_domain_strength + calculateLocalDomainStrength(); + + if (_write_photon_flux) { + const std::vector &inv_times = + getUserObject(_schedule_uo_name) + .getCumulativeTimes(); + writePhotonFlux(_photon_flux_filename, inv_times); } - _photon_fluxes.insert( - std::pair>(elem_id, photon_spectra)); - /** - * Calculate photon source strength of this element and insert it into - * _element_strengths map - */ - insertElementStrength(element, _photon_fluxes.at(elem_id)); + fp::GlobalFinalise(_fp_monitor); - /// Add calculated element strength to _local_domain_strength - updateLocalDomainStrength(element); + _solved = true; } +} - if (_write_photon_flux) { - writePhotonFlux(_photon_flux_filename); - } +void FispactProblem::syncSolutions(ExternalProblem::Direction direction) { + if (direction == ExternalProblem::Direction::FROM_EXTERNAL_APP) { - fp::GlobalFinalise(_fp_monitor); + if (_comm_photon_flux) { + // #ifdef LIBMESH_HAVE_BOOST + // + // /// Create vector to store all local domain strengths + // std::vector local_domain_strengths; + // + // /// Gather local domain strengths from all processors + // comm().allgather(_local_domain_strength, local_domain_strengths); + // + // /// Calculate TotalDomainStrength + // getTotalDomainStrength(); + // + // /// Create a shared instantiation of the photon sharing class + // PhotonSharingData *photon_sharing_instance = + // _segment.construct( + // "PhotonSharingData photon_sharing_instance")( + // _segment, _photon_fluxes, _element_strengths, + // _num_photon_bins, + // (int)_mesh.getMesh().n_active_local_elem(), + // _total_domain_strength, _local_domain_strength, + // local_domain_strengths, _photon_bins); + // #else + // mooseError("_comm_photon_flux is set to true but libmesh was not + // built " + // "with BOOST. No communication occuring."); + // #endif + } + } } -void FispactProblem::writePhotonFlux(const std::string &filename) { +void FispactProblem::writePhotonFlux( + const std::string &filename, const std::vector &inventory_times) { /** * Do use MPI HDF5 driver, as we are calling H5Dcreate on each rank the same * number of times @@ -307,54 +354,57 @@ void FispactProblem::writePhotonFlux(const std::string &filename) { hid_t file_id = hdf5_utils::file_open(filename.c_str(), 'w', parallel, comm().get()); - std::string dataset_name = "photon_flux"; - int ndim = 2; - int x_dim = _mesh.getMesh().n_active_elem(); + for (int inv_id = 0; inv_id < _n_inventories; inv_id++) { - int y_dim = _num_photon_bins; - hsize_t dataspace_dims[ndim]; + std::string dataset_name = + "photon_flux_" + std::to_string(inventory_times[inv_id]); - /// Set up dimensions for photon flux dataspace - dataspace_dims[0] = x_dim; - dataspace_dims[1] = y_dim; + _console << dataset_name << std::endl; - hid_t filespace = H5Screate_simple(ndim, dataspace_dims, NULL); - hid_t h5_dataset = - H5Dcreate(file_id, dataset_name.c_str(), H5T_NATIVE_DOUBLE, filespace, - H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); - H5Sclose(filespace); + int ndim = 2; + int x_dim = _mesh.getMesh().n_active_elem(); + int y_dim = _num_photon_bins; - for (auto &element_flux_pair : _photon_fluxes) { - /** - * CONTEXT: A hyperslab is a section of a hdf5 dataspace, don't be put off - * by the fancy name - */ + /// Set up dimensions for photon flux dataspace + hsize_t dataspace_dims[ndim]; + dataspace_dims[0] = x_dim; + dataspace_dims[1] = y_dim; - /// Create hdf5 dataspace to be our memory space for writing - hsize_t hyperslab_dims[2] = {1, y_dim}; + // Create filespace + hid_t dataspace = H5Screate_simple(ndim, dataspace_dims, NULL); + hid_t h5_dataset = + H5Dcreate(file_id, dataset_name.c_str(), H5T_NATIVE_DOUBLE, dataspace, + H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); + H5Sclose(dataspace); - /// Retrieve element id from _photon_fluxes map - hsize_t element_id = (hsize_t)element_flux_pair.first; + for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { - /** - * offset and count are used to select our hyperslab. - * Given the dimensions of the dataspace are num_elems * 24, our offset - * selection should be the element_id who's flux we wish to write - */ - hsize_t start[2] = {element_id, 0}; + /// Create hdf5 dataspace to be our memory space for writing + hsize_t hyperslab_dims[2] = {1, y_dim}; + + /** + * offset and count are used to select our hyperslab. + * Given the dimensions of the dataspace are num_elems * 24, our offset + * selection should be the element_id who's flux we wish to write + */ + hsize_t start[2] = {element->id(), 0}; - /// count specifies the number of entries we wish to write in each dimension - hsize_t count[2] = {1, _num_photon_bins}; + /// count specifies the number of entries we wish to write in each + /// dimension + hsize_t count[2] = {1, _num_photon_bins}; - hdf5_utils::write_double_hyperslab( - h5_dataset, nullptr, ndim, hyperslab_dims, start, count, - element_flux_pair.second.data(), parallel); + int flux_idx = photonEnergySpectraIdx(inv_id, element->id()); + + hdf5_utils::write_double_hyperslab( + h5_dataset, nullptr, ndim, hyperslab_dims, start, count, + &_photon_energy_spectra[flux_idx], parallel); + } + /// Close all the HDF5 bits and pieces + H5Dclose(h5_dataset); } - /// Close all the HDF5 bits and pieces - H5Dclose(h5_dataset); /// Write bins to hdf5 file as well - writePhotonFluxBins(file_id, parallel); + // writePhotonFluxBins(file_id, parallel); H5Fclose(file_id); } @@ -401,6 +451,11 @@ void FispactProblem::setPhotonBins(const fp::OutputData &fispact_output) { } _photon_bins[i] *= 1e6; } + + // Broadcast to all processors. Prevents issues resulting from all the + // elements on one processor having zero flux, and hence _photon_bins never + // getting set + comm().broadcast(_photon_bins); } std::vector @@ -650,11 +705,12 @@ void FispactProblem::setNeutronBins() { } void FispactProblem::convertGammaEvToCount( - const fp::InputData &input, const std::vector &photon_spectra, - std::vector &photons_per_cc_per_s) { + const fp::InputData &input, + const std::vector &photon_energy_spectra_ev, + std::vector &photon_energy_spectra_per_cc_s) { /// Reserve memory for photons per cc per s vector - photons_per_cc_per_s.resize(photon_spectra.size()); + photon_energy_spectra_per_cc_s.resize(photon_energy_spectra_ev.size()); /// Get inventory density and mass double inv_density = input.getDensity(); @@ -662,7 +718,7 @@ void FispactProblem::convertGammaEvToCount( const std::vector &photon_flux_bins = getPhotonBins(); /// Convert from MeV/s to per cc per s for each bin - for (int i = 0; i < photon_spectra.size(); i++) { + for (int i = 0; i < photon_energy_spectra_ev.size(); i++) { double bin_energy = photon_flux_bins[i] + ((photon_flux_bins[i + 1] - photon_flux_bins[i]) / 2); @@ -671,9 +727,9 @@ void FispactProblem::convertGammaEvToCount( * energy_bin_midpoint)) */ double per_cc_per_s = - photon_spectra[i] * (inv_density / (inv_mass * bin_energy)); + photon_energy_spectra_ev[i] * (inv_density / (inv_mass * bin_energy)); - photons_per_cc_per_s[i] = per_cc_per_s; + photon_energy_spectra_per_cc_s[i] = per_cc_per_s; } } @@ -689,28 +745,34 @@ double FispactProblem::calculateElementStrength( } void FispactProblem::insertElementStrength( - const libMesh::Elem *element, const std::vector element_flux) { + const int inv_index, const libMesh::Elem *element, + const std::vector element_flux) { double elem_strength = calculateElementStrength(element, element_flux); - _element_strengths.insert( - std::pair(element->id(), elem_strength)); + int idx = + (inv_index * _mesh.nActiveLocalElem()) + _local_elem_index[element->id()]; + _element_strengths.insert(_element_strengths.begin() + idx, elem_strength); } -void FispactProblem::updateLocalDomainStrength(const libMesh::Elem *element) { - double element_strength; +void FispactProblem::calculateLocalDomainStrength() { - /** - * Attempt to retrieve element strength from map, otherwise catch exception - * and give a useful error - */ - try { - element_strength = _element_strengths.at(element->id()); - } catch (std::out_of_range) { - mooseError("Attempted to access element strength for an element ID that " - "has not had strength calcalculated"); - } + for (int inv_index = 0; inv_index < _n_inventories; inv_index++) { + for (const libMesh::Elem *element : *_mesh.getActiveLocalElementRange()) { + + double element_strength; + + /** + * Attempt to retrieve element strength from map, otherwise catch + * exception and give a useful error + */ + int idx = (inv_index * _mesh.nActiveLocalElem()) + + _local_elem_index[element->id()]; - _local_domain_strength += element_strength; + element_strength = _element_strengths.at(idx); + + _local_domain_strength[inv_index] += element_strength; + } + } } void FispactProblem::getTotalDomainStrength() { diff --git a/src/times/FispactScheduleTimes.C b/src/times/FispactScheduleTimes.C index 5632894..f417424 100644 --- a/src/times/FispactScheduleTimes.C +++ b/src/times/FispactScheduleTimes.C @@ -1,18 +1,16 @@ -#include "FispactSchedule.h" #include "FispactScheduleTimes.h" +#include registerMooseObject("MooseApp", FispactScheduleTimes); InputParameters FispactScheduleTimes::validParams() { InputParameters params = Times::validParams(); + params.addClassDescription( "Times set from a FispactSchedule UserObject defined in the input file"); - params.addRequiredParam>( - "times", "Times to store in the times vector"); - - params.addRequiredParam( - "FispactSchedule", + params.addRequiredParam( + "FispactScheduleName", "Name of the FispactSchedule UserObject used to set times"); params.addParam>( @@ -30,22 +28,36 @@ InputParameters FispactScheduleTimes::validParams() { } FispactScheduleTimes::FispactScheduleTimes(const InputParameters ¶meters) - : Times(parameters) { + : Times(parameters), + _schedule(getUserObject("FispactScheduleName")), + _fispact_times(_schedule.getTimes()) { - const FispactSchedule &schedule = - getUserObject(getParam("FispactSchedule")); + std::inclusive_scan(_fispact_times.begin(), _fispact_times.end(), + _fispact_times.begin()); + + for (auto &time : _fispact_times) { + _console << time << std::endl; + } if (isParamValid("FispactScheduleTimeIndices")) { - std::vector indices = + + const std::vector &indices = getParam>("FispactScheduleTimeIndices"); - std::vector schedule_times = schedule.getTimes(); - for (int index : indices) { - _times.push_back(schedule_times[index]); + std::vector mask(_fispact_times.size(), false); + + for (auto index : indices) { + mask[index] = true; } - _times = schedule.getTimes(); - } else { - _times = schedule.getTimes(); + auto deletion_iterator = std::remove_if( + _fispact_times.begin(), _fispact_times.end(), + [&, i = size_t(0)](double) mutable { return !mask[i++]; }); + + _fispact_times.erase(deletion_iterator, _fispact_times.end()); + + _times = _fispact_times; + } else { + _times = _fispact_times; } } diff --git a/src/userobjects/FispactSchedule.C b/src/userobjects/FispactSchedule.C index a154bc3..503b3ad 100644 --- a/src/userobjects/FispactSchedule.C +++ b/src/userobjects/FispactSchedule.C @@ -23,6 +23,9 @@ FispactSchedule::FispactSchedule(const InputParameters ¶meters) // Check vectors passed in are the right size mooseAssert(_times.size() == _flux_schedule.size(), "The length of the flux_schdule and times must be equal"); + + _cumulative_times.reserve(_times.size()); + std::inclusive_scan(_times.begin(), _times.end(), _cumulative_times.begin()); } const std::vector &FispactSchedule::getFluxSchedule() const { @@ -30,3 +33,7 @@ const std::vector &FispactSchedule::getFluxSchedule() const { } const std::vector &FispactSchedule::getTimes() const { return _times; } + +const std::vector &FispactSchedule::getCumulativeTimes() const { + return _cumulative_times; +} From c9bde9d817087df07f749755982bf1cd5e12a365 Mon Sep 17 00:00:00 2001 From: Bill Ellis Date: Thu, 12 Feb 2026 16:08:35 +0000 Subject: [PATCH 055/169] Updated material test examples to use new simplified testing geometry --- inputs/material_tests/fispact_fuel.i | 12 ++++++------ inputs/material_tests/fispact_mass.i | 4 ++-- inputs/statepoint_neutrons.10.h5 | Bin 0 -> 883560 bytes 3 files changed, 8 insertions(+), 8 deletions(-) create mode 100644 inputs/statepoint_neutrons.10.h5 diff --git a/inputs/material_tests/fispact_fuel.i b/inputs/material_tests/fispact_fuel.i index caf82d6..90e58db 100644 --- a/inputs/material_tests/fispact_fuel.i +++ b/inputs/material_tests/fispact_fuel.i @@ -1,14 +1,14 @@ [Mesh] [fmg] type = FileMeshGenerator - file = "../../example_geom/cube.e" + file = "../../geometry/cube.e" [] [] [Problem] type = FispactProblem - neutron_flux_file = './../statepoint.2.h5' + neutron_flux_file = './../statepoint_neutrons.10.h5' neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' @@ -31,10 +31,10 @@ [steel] type = FISPACTMaterial material_type = FUEL - nuclides = 'Fe56 Fe57' - nuclide_fraction = '0.7 0.3' - block = 'steel' - density = 5 + nuclides = "C13 C12 Mn55 P31 S34 S32 S33 S36 Si28 Si29 Si30 Cr53 Cr50 Cr52 Cr54 Ni62 Ni60 Ni64 Ni58 Ni61 Fe56 Fe58 Fe57 Fe54" + nuclide_fraction = "1.5132548e-05 0.00135086745 0.01991 0.000795 2.14834688e-05 0.000486608589 3.8332928e-06 7.46496e-08 0.0179598856 0.000911951747 0.000601162667 0.0189874635 0.00868335215 0.167449803 0.00472638155 0.0033866271 0.0244346846 0.00086247408 0.0634340554 0.00106215882 0.610087944 0.00187506594 0.0140895912 0.0388643986" + block = 1 + density = 8 [] [endf_nuclear_data] diff --git a/inputs/material_tests/fispact_mass.i b/inputs/material_tests/fispact_mass.i index d7db318..0f86860 100644 --- a/inputs/material_tests/fispact_mass.i +++ b/inputs/material_tests/fispact_mass.i @@ -1,7 +1,7 @@ [Mesh] [fmg] type = FileMeshGenerator - file = "../../example_geom/cube.e" + file = "../../geometry/cube.e" [] [] @@ -9,7 +9,7 @@ type = FispactProblem fispact_nuclear_data_path = '/home/bill/Projects/FISPACT/nuclear_data/' - neutron_flux_file = './../statepoint.2.h5' + neutron_flux_file = './../statepoint_neutrons.10.h5' neutron_flux_tally_id = 1 neutron_bin_type = 'G1102' diff --git a/inputs/statepoint_neutrons.10.h5 b/inputs/statepoint_neutrons.10.h5 new file mode 100644 index 0000000000000000000000000000000000000000..151e510365c4d3025764591462357fc21fd2f39d GIT binary patch literal 883560 zcmeEv30zHG+x}@DBx#_Lq>>?$Ayn%=&GRUVqIsT9b(&L2Dukj@s6=L>kU3+6%%vh^ z%A8V?Q2(>{Ugz;V=y~4v`@i4!z0dpEzhCFt_qwljueI)duVJsfJ7<-#zTt2|X+aus z@blBSX(Hq)`(qFvKC#2eB(}`fyWkTJjAyF*uFd$l|aWC?Q9JU zXf#e5+ddm{HX4J6I-7$N5)-HsA2#6^{zrSj*g(gcXkZy`Wgf;d3F?F$SF|uncEEZe 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