23011177584

Committed 12 Mar 2026 03:57PM UTC coverage: 80.895% (-0.7%) from 81.566%

Build # 23011177584

Build Type

Pull #3863

github

Committed by

web-flow

Commit Message

Merge 00a6e11ae into ba94c5823

Pull Request Pull Request #3863: Shared Secondary Particle Bank

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261 of 367 new or added lines in 17 files covered. (71.12%)

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71.24

/src/initialize.cpp

#include "openmc/initialize.h"

#include <clocale>
#include <cstddef>
#include <cstdlib> // for getenv
#include <cstring>
#include <string>

#ifdef _OPENMP
#include <omp.h>
#endif
#include <fmt/core.h>

#include "openmc/capi.h"
#include "openmc/chain.h"
#include "openmc/constants.h"
#include "openmc/cross_sections.h"
#include "openmc/error.h"
#include "openmc/file_utils.h"
#include "openmc/geometry_aux.h"
#include "openmc/hdf5_interface.h"
#include "openmc/material.h"
#include "openmc/memory.h"
#include "openmc/message_passing.h"
#include "openmc/mgxs_interface.h"
#include "openmc/nuclide.h"
#include "openmc/openmp_interface.h"
#include "openmc/output.h"
#include "openmc/plot.h"
#include "openmc/random_lcg.h"
#include "openmc/settings.h"
#include "openmc/simulation.h"
#include "openmc/string_utils.h"
#include "openmc/summary.h"
#include "openmc/tallies/tally.h"
#include "openmc/thermal.h"
#include "openmc/timer.h"
#include "openmc/vector.h"
#include "openmc/weight_windows.h"

#ifdef OPENMC_LIBMESH_ENABLED
#include "libmesh/libmesh.h"
#endif

int openmc_init(int argc, char* argv[], const void* intracomm)
{
  using namespace openmc;

#ifdef OPENMC_MPI
  // Check if intracomm was passed
  MPI_Comm comm;
  if (intracomm) {
    comm = *static_cast<const MPI_Comm*>(intracomm);
  } else {
    comm = MPI_COMM_WORLD;
  }

  // Initialize MPI for C++
  initialize_mpi(comm);
#endif

  // Parse command-line arguments
  int err = parse_command_line(argc, argv);
  if (err)
    return err;

#ifdef OPENMC_LIBMESH_ENABLED
  const int n_threads = num_threads();
  // initialize libMesh if it hasn't been initialized already
  // (if initialized externally, the libmesh_init object needs to be provided
  // also)
  if (!settings::libmesh_init && !libMesh::initialized()) {
#ifdef OPENMC_MPI
    // pass command line args, empty MPI communicator, and number of threads.
    // Because libMesh was not initialized, we assume that OpenMC is the primary
    // application and that its main MPI comm should be used.
    settings::libmesh_init =
      make_unique<libMesh::LibMeshInit>(argc, argv, comm, n_threads);
#else
    // pass command line args, empty MPI communicator, and number of threads
    settings::libmesh_init =
      make_unique<libMesh::LibMeshInit>(argc, argv, 0, n_threads);
#endif

    settings::libmesh_comm = &(settings::libmesh_init->comm());
  }

#endif

  // Start total and initialization timer
  simulation::time_total.start();
  simulation::time_initialize.start();

#ifdef _OPENMP
  // If OMP_SCHEDULE is not set, default to a static schedule
  char* envvar = std::getenv("OMP_SCHEDULE");
  if (!envvar) {
    omp_set_schedule(omp_sched_static, 0);
  }
#endif

  // Initialize random number generator -- if the user specifies a seed and/or
  // stride, it will be re-initialized later
  openmc::openmc_set_seed(DEFAULT_SEED);
  openmc::openmc_set_stride(DEFAULT_STRIDE);

  // Copy previous locale and set locale to C. This is a workaround for an issue
  // whereby when openmc_init is called from the plotter, the Qt application
  // framework first calls std::setlocale, which affects how pugixml reads
  // floating point numbers due to a bug:
  // https://github.com/zeux/pugixml/issues/469
  std::string prev_locale = std::setlocale(LC_ALL, nullptr);
  if (std::setlocale(LC_ALL, "C") == NULL) {
    fatal_error("Cannot set locale to C.");
  }

  // Read XML input files
  if (!read_model_xml())
    read_separate_xml_files();

  // Reset locale to previous state
  if (std::setlocale(LC_ALL, prev_locale.c_str()) == NULL) {
    fatal_error("Cannot reset locale.");
  }

  // Write some initial output under the header if needed
  initial_output();

  // Check for particle restart run
  if (settings::particle_restart_run)
    settings::run_mode = RunMode::PARTICLE;

  // Stop initialization timer
  simulation::time_initialize.stop();
  simulation::time_total.stop();

  return 0;
}

namespace openmc {

#ifdef OPENMC_MPI
void initialize_mpi(MPI_Comm intracomm)
{
  mpi::intracomm = intracomm;

  // Initialize MPI
  int flag;
  MPI_Initialized(&flag);
  if (!flag)
    MPI_Init(nullptr, nullptr);

  // Determine number of processes and rank for each
  MPI_Comm_size(intracomm, &mpi::n_procs);
  MPI_Comm_rank(intracomm, &mpi::rank);
  mpi::master = (mpi::rank == 0);

  // Create bank datatype
  SourceSite b;
  MPI_Aint disp[14];
  MPI_Get_address(&b.r, &disp[0]);
  MPI_Get_address(&b.u, &disp[1]);
  MPI_Get_address(&b.E, &disp[2]);
  MPI_Get_address(&b.time, &disp[3]);
  MPI_Get_address(&b.wgt, &disp[4]);
  MPI_Get_address(&b.delayed_group, &disp[5]);
  MPI_Get_address(&b.surf_id, &disp[6]);
  MPI_Get_address(&b.particle, &disp[7]);
  MPI_Get_address(&b.parent_nuclide, &disp[8]);
  MPI_Get_address(&b.parent_id, &disp[9]);
  MPI_Get_address(&b.progeny_id, &disp[10]);
  MPI_Get_address(&b.wgt_born, &disp[11]);
  MPI_Get_address(&b.wgt_ww_born, &disp[12]);
  MPI_Get_address(&b.n_split, &disp[13]);
  for (int i = 13; i >= 0; --i) {
    disp[i] -= disp[0];
  }

  // Block counts for each field
  int blocks[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};

  // Types for each field
  MPI_Datatype types[] = {
    MPI_DOUBLE,  // r (3 doubles)
    MPI_DOUBLE,  // u (3 doubles)
    MPI_DOUBLE,  // E
    MPI_DOUBLE,  // time
    MPI_DOUBLE,  // wgt
    MPI_INT,     // delayed_group
    MPI_INT,     // surf_id
    MPI_INT,     // particle (enum)
    MPI_INT,     // parent_nuclide
    MPI_INT64_T, // parent_id
    MPI_INT64_T, // progeny_id
    MPI_DOUBLE,  // wgt_born
    MPI_DOUBLE,  // wgt_ww_born
    MPI_INT64_T  // n_split
  };

  MPI_Type_create_struct(14, blocks, disp, types, &mpi::source_site);
  MPI_Type_commit(&mpi::source_site);

  CollisionTrackSite bc;
  MPI_Aint dispc[16];
  MPI_Get_address(&bc.r, &dispc[0]);             // double
  MPI_Get_address(&bc.u, &dispc[1]);             // double
  MPI_Get_address(&bc.E, &dispc[2]);             // double
  MPI_Get_address(&bc.dE, &dispc[3]);            // double
  MPI_Get_address(&bc.time, &dispc[4]);          // double
  MPI_Get_address(&bc.wgt, &dispc[5]);           // double
  MPI_Get_address(&bc.event_mt, &dispc[6]);      // int
  MPI_Get_address(&bc.delayed_group, &dispc[7]); // int
  MPI_Get_address(&bc.cell_id, &dispc[8]);       // int
  MPI_Get_address(&bc.nuclide_id, &dispc[9]);    // int
  MPI_Get_address(&bc.material_id, &dispc[10]);  // int
  MPI_Get_address(&bc.universe_id, &dispc[11]);  // int
  MPI_Get_address(&bc.n_collision, &dispc[12]);  // int
  MPI_Get_address(&bc.particle, &dispc[13]);     // int
  MPI_Get_address(&bc.parent_id, &dispc[14]);    // int64_t
  MPI_Get_address(&bc.progeny_id, &dispc[15]);   // int64_t
  for (int i = 15; i >= 0; --i) {
    dispc[i] -= dispc[0];
  }

  int blocksc[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};
  MPI_Datatype typesc[] = {MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE,
    MPI_DOUBLE, MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_INT,
    MPI_INT, MPI_INT, MPI_INT, MPI_INT64_T, MPI_INT64_T};

  MPI_Type_create_struct(
    16, blocksc, dispc, typesc, &mpi::collision_track_site);
  MPI_Type_commit(&mpi::collision_track_site);
}
#endif // OPENMC_MPI

int parse_command_line(int argc, char* argv[])
{
  int last_flag = 0;
  for (int i = 1; i < argc; ++i) {
    std::string arg {argv[i]};
    if (arg[0] == '-') {
      if (arg == "-p" || arg == "--plot") {
        settings::run_mode = RunMode::PLOTTING;
        settings::check_overlaps = true;

      } else if (arg == "-n" || arg == "--particles") {
        i += 1;
        settings::n_particles = std::stoll(argv[i]);

      } else if (arg == "-q" || arg == "--verbosity") {
        i += 1;
        settings::verbosity = std::stoi(argv[i]);
        if (settings::verbosity > 10 || settings::verbosity < 1) {
          auto msg = fmt::format("Invalid verbosity: {}.", settings::verbosity);
          strcpy(openmc_err_msg, msg.c_str());
          return OPENMC_E_INVALID_ARGUMENT;
        }

      } else if (arg == "-e" || arg == "--event") {
        settings::event_based = true;
      } else if (arg == "-r" || arg == "--restart") {
        i += 1;
        // Check what type of file this is
        hid_t file_id = file_open(argv[i], 'r', true);
        std::string filetype;
        read_attribute(file_id, "filetype", filetype);
        file_close(file_id);

        // Set path and flag for type of run
        if (filetype == "statepoint") {
          settings::path_statepoint = argv[i];
          settings::path_statepoint_c = settings::path_statepoint.c_str();
          settings::restart_run = true;
        } else if (filetype == "particle restart") {
          settings::path_particle_restart = argv[i];
          settings::particle_restart_run = true;
        } else {
          auto msg =
            fmt::format("Unrecognized file after restart flag: {}.", filetype);
          strcpy(openmc_err_msg, msg.c_str());
          return OPENMC_E_INVALID_ARGUMENT;
        }

        // If its a restart run check for additional source file
        if (settings::restart_run && i + 1 < argc) {
          // Check if it has extension we can read
          if (ends_with(argv[i + 1], ".h5")) {

            // Check file type is a source file
            file_id = file_open(argv[i + 1], 'r', true);
            read_attribute(file_id, "filetype", filetype);
            file_close(file_id);
            if (filetype != "source") {
              std::string msg {
                "Second file after restart flag must be a source file"};
              strcpy(openmc_err_msg, msg.c_str());
              return OPENMC_E_INVALID_ARGUMENT;
            }

            // It is a source file
            settings::path_sourcepoint = argv[i + 1];
            i += 1;

          } else {
            // Source is in statepoint file
            settings::path_sourcepoint = settings::path_statepoint;
          }

        } else {
          // Source is assumed to be in statepoint file
          settings::path_sourcepoint = settings::path_statepoint;
        }

      } else if (arg == "-g" || arg == "--geometry-debug") {
        settings::check_overlaps = true;
      } else if (arg == "-c" || arg == "--volume") {
        settings::run_mode = RunMode::VOLUME;
      } else if (arg == "-s" || arg == "--threads") {
        // Read number of threads
        i += 1;

#ifdef _OPENMP
        // Read and set number of OpenMP threads
        int n_threads = std::stoi(argv[i]);
        if (n_threads < 1) {
          std::string msg {"Number of threads must be positive."};
          strcpy(openmc_err_msg, msg.c_str());
          return OPENMC_E_INVALID_ARGUMENT;
        }
        omp_set_num_threads(n_threads);
#else
        if (mpi::master) {
          warning("Ignoring number of threads specified on command line.");
        }
#endif

      } else if (arg == "-?" || arg == "-h" || arg == "--help") {
        print_usage();
        return OPENMC_E_UNASSIGNED;

      } else if (arg == "-v" || arg == "--version") {
        print_version();
        print_build_info();
        return OPENMC_E_UNASSIGNED;

      } else if (arg == "-t" || arg == "--track") {
        settings::write_all_tracks = true;

      } else {
        fmt::print(stderr, "Unknown option: {}\n", argv[i]);
        print_usage();
        return OPENMC_E_UNASSIGNED;
      }

      last_flag = i;
    }
  }

  // Determine directory where XML input files are
  if (argc > 1 && last_flag < argc - 1) {
    settings::path_input = std::string(argv[last_flag + 1]);

    // check that the path is either a valid directory or file
    if (!dir_exists(settings::path_input) &&
        !file_exists(settings::path_input)) {
      fatal_error(fmt::format(
        "The path specified to the OpenMC executable '{}' does not exist.",
        settings::path_input));
    }

    // Add slash at end of directory if it isn't there
    if (!ends_with(settings::path_input, "/") &&
        dir_exists(settings::path_input)) {
      settings::path_input += "/";
    }
  }

  return 0;
}

// TODO: Pulse-height tallies require per-history scoring across the full
// particle tree (parent + all descendants). The shared secondary bank
// transports each secondary as an independent Particle, breaking this
// assumption. A proper fix would defer pulse-height scoring: save
// (root_source_id, cell, pht_storage) per particle, then aggregate by
// root_source_id after all secondary generations complete before scoring
// into the histogram. For now, disable shared secondary when pulse-height
// tallies are present.
static void check_pulse_height_compatibility()
{
  if (settings::use_shared_secondary_bank) {
    for (const auto& t : model::tallies) {
      if (t->type_ == TallyType::PULSE_HEIGHT) {
        settings::use_shared_secondary_bank = false;
        warning("Pulse-height tallies are not yet compatible with the shared "
                "secondary bank. Disabling shared secondary bank.");
        break;
      }
    }
  }
}

bool read_model_xml()
{
  std::string model_filename = settings::path_input;

  // if the current filename is a directory, append the default model filename
  if (model_filename.empty() || dir_exists(model_filename))
    model_filename += "model.xml";

  // if this file doesn't exist, stop here
  if (!file_exists(model_filename))
    return false;

  // try to process the path input as an XML file
  pugi::xml_document doc;
  if (!doc.load_file(model_filename.c_str())) {
    fatal_error(fmt::format(
      "Error reading from single XML input file '{}'", model_filename));
  }

  pugi::xml_node root = doc.document_element();

  // Read settings
  if (!check_for_node(root, "settings")) {
    fatal_error("No <settings> node present in the model.xml file.");
  }
  auto settings_root = root.child("settings");

  // Verbosity
  if (check_for_node(settings_root, "verbosity") && settings::verbosity == -1) {
    settings::verbosity = std::stoi(get_node_value(settings_root, "verbosity"));
  } else if (settings::verbosity == -1) {
    settings::verbosity = 7;
  }

  // To this point, we haven't displayed any output since we didn't know what
  // the verbosity is. Now that we checked for it, show the title if necessary
  if (mpi::master) {
    if (settings::verbosity >= 2)
      title();
  }

  write_message(
    fmt::format("Reading model XML file '{}' ...", model_filename), 5);

  read_settings_xml(settings_root);

  // If other XML files are present, display warning
  // that they will be ignored
  auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml",
    "tallies.xml", "plots.xml"};
  for (const auto& input : other_inputs) {
    if (file_exists(settings::path_input + input)) {
      warning((fmt::format("Other XML file input(s) are present. These files "
                           "may be ignored in favor of the {} file.",
        model_filename)));
      break;
    }
  }

  // Read data from chain file
  read_chain_file_xml();

  // Read materials and cross sections
  if (!check_for_node(root, "materials")) {
    fatal_error(fmt::format(
      "No <materials> node present in the {} file.", model_filename));
  }

  if (settings::run_mode != RunMode::PLOTTING) {
    read_cross_sections_xml(root.child("materials"));
  }
  read_materials_xml(root.child("materials"));

  // Read geometry
  if (!check_for_node(root, "geometry")) {
    fatal_error(fmt::format(
      "No <geometry> node present in the {} file.", model_filename));
  }
  read_geometry_xml(root.child("geometry"));

  // Final geometry setup and assign temperatures
  finalize_geometry();

  // Finalize cross sections having assigned temperatures
  finalize_cross_sections();

  // Compute cell density multipliers now that material densities
  // have been finalized (from geometry_aux.h)
  finalize_cell_densities();

  if (check_for_node(root, "tallies"))
    read_tallies_xml(root.child("tallies"));

  check_pulse_height_compatibility();

  // Initialize distribcell_filters
  prepare_distribcell();

  if (check_for_node(root, "plots")) {
    read_plots_xml(root.child("plots"));
  } else {
    // When no <plots> element is present in the model.xml file, check for a
    // regular plots.xml file
    std::string filename = settings::path_input + "plots.xml";
    if (file_exists(filename)) {
      read_plots_xml();
    }
  }

  finalize_variance_reduction();

  return true;
}

void read_separate_xml_files()
{
  read_settings_xml();
  if (settings::run_mode != RunMode::PLOTTING) {
    read_cross_sections_xml();
  }

  // Read data from chain file
  read_chain_file_xml();

  read_materials_xml();
  read_geometry_xml();

  // Final geometry setup and assign temperatures
  finalize_geometry();

  // Finalize cross sections having assigned temperatures
  finalize_cross_sections();

  // Compute cell density multipliers now that material densities
  // have been finalized (from geometry_aux.h)
  finalize_cell_densities();

  read_tallies_xml();

  check_pulse_height_compatibility();

  // Initialize distribcell_filters
  prepare_distribcell();

  // Read the plots.xml regardless of plot mode in case plots are requested
  // via the API
  read_plots_xml();

  finalize_variance_reduction();
}

void initial_output()
{
  // write initial output
  if (settings::run_mode == RunMode::PLOTTING) {
    // Read plots.xml if it exists
    if (mpi::master && settings::verbosity >= 5)
      print_plot();

  } else {
    // Write summary information
    if (mpi::master && settings::output_summary)
      write_summary();

    // Warn if overlap checking is on
    if (mpi::master && settings::check_overlaps) {
      warning("Cell overlap checking is ON.");
    }
  }
}

} // namespace openmc

1	#include "openmc/initialize.h"
2
3	#include <clocale>
4	#include <cstddef>
5	#include <cstdlib> // for getenv
6	#include <cstring>
7	#include <string>
8
9	#ifdef _OPENMP
10	#include <omp.h>
11	#endif
12	#include <fmt/core.h>
13
14	#include "openmc/capi.h"
15	#include "openmc/chain.h"
16	#include "openmc/constants.h"
17	#include "openmc/cross_sections.h"
18	#include "openmc/error.h"
19	#include "openmc/file_utils.h"
20	#include "openmc/geometry_aux.h"
21	#include "openmc/hdf5_interface.h"
22	#include "openmc/material.h"
23	#include "openmc/memory.h"
24	#include "openmc/message_passing.h"
25	#include "openmc/mgxs_interface.h"
26	#include "openmc/nuclide.h"
27	#include "openmc/openmp_interface.h"
28	#include "openmc/output.h"
29	#include "openmc/plot.h"
30	#include "openmc/random_lcg.h"
31	#include "openmc/settings.h"
32	#include "openmc/simulation.h"
33	#include "openmc/string_utils.h"
34	#include "openmc/summary.h"
35	#include "openmc/tallies/tally.h"
36	#include "openmc/thermal.h"
37	#include "openmc/timer.h"
38	#include "openmc/vector.h"
39	#include "openmc/weight_windows.h"
40
41	#ifdef OPENMC_LIBMESH_ENABLED
42	#include "libmesh/libmesh.h"
43	#endif
44
45	int openmc_init(int argc, char* argv[], const void* intracomm)	2,711✔
46	{
47	using namespace openmc;	2,711✔
48
49	#ifdef OPENMC_MPI
50	// Check if intracomm was passed
51	MPI_Comm comm;
52	if (intracomm) {
53	comm = static_cast<const MPI_Comm>(intracomm);
54	} else {
55	comm = MPI_COMM_WORLD;
56	}
57
58	// Initialize MPI for C++
59	initialize_mpi(comm);
60	#endif
61
62	// Parse command-line arguments
63	int err = parse_command_line(argc, argv);	2,711✔
64	if (err)	2,699✔
65	return err;
66
67	#ifdef OPENMC_LIBMESH_ENABLED
68	const int n_threads = num_threads();
69	// initialize libMesh if it hasn't been initialized already
70	// (if initialized externally, the libmesh_init object needs to be provided
71	// also)
72	if (!settings::libmesh_init && !libMesh::initialized()) {
73	#ifdef OPENMC_MPI
74	// pass command line args, empty MPI communicator, and number of threads.
75	// Because libMesh was not initialized, we assume that OpenMC is the primary
76	// application and that its main MPI comm should be used.
77	settings::libmesh_init =
78	make_unique<libMesh::LibMeshInit>(argc, argv, comm, n_threads);
79	#else
80	// pass command line args, empty MPI communicator, and number of threads
81	settings::libmesh_init =
82	make_unique<libMesh::LibMeshInit>(argc, argv, 0, n_threads);
83	#endif
84
85	settings::libmesh_comm = &(settings::libmesh_init->comm());
86	}
87
88	#endif
89
90	// Start total and initialization timer
91	simulation::time_total.start();	2,695✔
92	simulation::time_initialize.start();	2,695✔
93
94	#ifdef _OPENMP
95	// If OMP_SCHEDULE is not set, default to a static schedule
96	char* envvar = std::getenv("OMP_SCHEDULE");	673✔
97	if (!envvar) {	673!
98	omp_set_schedule(omp_sched_static, 0);	673✔
99	}
100	#endif
101
102	// Initialize random number generator -- if the user specifies a seed and/or
103	// stride, it will be re-initialized later
104	openmc::openmc_set_seed(DEFAULT_SEED);	2,695✔
105	openmc::openmc_set_stride(DEFAULT_STRIDE);	2,695✔
106
107	// Copy previous locale and set locale to C. This is a workaround for an issue
108	// whereby when openmc_init is called from the plotter, the Qt application
109	// framework first calls std::setlocale, which affects how pugixml reads
110	// floating point numbers due to a bug:
111	// https://github.com/zeux/pugixml/issues/469
112	std::string prev_locale = std::setlocale(LC_ALL, nullptr);	2,695✔
113	if (std::setlocale(LC_ALL, "C") == NULL) {	2,695!
114	fatal_error("Cannot set locale to C.");	×
115	}
116
117	// Read XML input files
118	if (!read_model_xml())	2,695✔
119	read_separate_xml_files();	428✔
120
121	// Reset locale to previous state
122	if (std::setlocale(LC_ALL, prev_locale.c_str()) == NULL) {	2,655!
123	fatal_error("Cannot reset locale.");	×
124	}
125
126	// Write some initial output under the header if needed
127	initial_output();	2,655✔
128
129	// Check for particle restart run
130	if (settings::particle_restart_run)	2,655✔
131	settings::run_mode = RunMode::PARTICLE;	16✔
132
133	// Stop initialization timer
134	simulation::time_initialize.stop();	2,655✔
135	simulation::time_total.stop();	2,655✔
136
137	return 0;	2,655✔
138	}	2,659✔
139
140	namespace openmc {
141
142	#ifdef OPENMC_MPI
143	void initialize_mpi(MPI_Comm intracomm)
144	{
145	mpi::intracomm = intracomm;
146
147	// Initialize MPI
148	int flag;
149	MPI_Initialized(&flag);
150	if (!flag)
151	MPI_Init(nullptr, nullptr);
152
153	// Determine number of processes and rank for each
154	MPI_Comm_size(intracomm, &mpi::n_procs);
155	MPI_Comm_rank(intracomm, &mpi::rank);
156	mpi::master = (mpi::rank == 0);
157
158	// Create bank datatype
159	SourceSite b;
160	MPI_Aint disp[14];
161	MPI_Get_address(&b.r, &disp[0]);
162	MPI_Get_address(&b.u, &disp[1]);
163	MPI_Get_address(&b.E, &disp[2]);
164	MPI_Get_address(&b.time, &disp[3]);
165	MPI_Get_address(&b.wgt, &disp[4]);
166	MPI_Get_address(&b.delayed_group, &disp[5]);
167	MPI_Get_address(&b.surf_id, &disp[6]);
168	MPI_Get_address(&b.particle, &disp[7]);
169	MPI_Get_address(&b.parent_nuclide, &disp[8]);
170	MPI_Get_address(&b.parent_id, &disp[9]);
171	MPI_Get_address(&b.progeny_id, &disp[10]);
172	MPI_Get_address(&b.wgt_born, &disp[11]);
173	MPI_Get_address(&b.wgt_ww_born, &disp[12]);
174	MPI_Get_address(&b.n_split, &disp[13]);
175	for (int i = 13; i >= 0; --i) {
176	disp[i] -= disp[0];
177	}
178
179	// Block counts for each field
180	int blocks[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};
181
182	// Types for each field
183	MPI_Datatype types[] = {
184	MPI_DOUBLE, // r (3 doubles)
185	MPI_DOUBLE, // u (3 doubles)
186	MPI_DOUBLE, // E
187	MPI_DOUBLE, // time
188	MPI_DOUBLE, // wgt
189	MPI_INT, // delayed_group
190	MPI_INT, // surf_id
191	MPI_INT, // particle (enum)
192	MPI_INT, // parent_nuclide
193	MPI_INT64_T, // parent_id
194	MPI_INT64_T, // progeny_id
195	MPI_DOUBLE, // wgt_born
196	MPI_DOUBLE, // wgt_ww_born
197	MPI_INT64_T // n_split
198	};
199
200	MPI_Type_create_struct(14, blocks, disp, types, &mpi::source_site);
201	MPI_Type_commit(&mpi::source_site);
202
203	CollisionTrackSite bc;
204	MPI_Aint dispc[16];
205	MPI_Get_address(&bc.r, &dispc[0]); // double
206	MPI_Get_address(&bc.u, &dispc[1]); // double
207	MPI_Get_address(&bc.E, &dispc[2]); // double
208	MPI_Get_address(&bc.dE, &dispc[3]); // double
209	MPI_Get_address(&bc.time, &dispc[4]); // double
210	MPI_Get_address(&bc.wgt, &dispc[5]); // double
211	MPI_Get_address(&bc.event_mt, &dispc[6]); // int
212	MPI_Get_address(&bc.delayed_group, &dispc[7]); // int
213	MPI_Get_address(&bc.cell_id, &dispc[8]); // int
214	MPI_Get_address(&bc.nuclide_id, &dispc[9]); // int
215	MPI_Get_address(&bc.material_id, &dispc[10]); // int
216	MPI_Get_address(&bc.universe_id, &dispc[11]); // int
217	MPI_Get_address(&bc.n_collision, &dispc[12]); // int
218	MPI_Get_address(&bc.particle, &dispc[13]); // int
219	MPI_Get_address(&bc.parent_id, &dispc[14]); // int64_t
220	MPI_Get_address(&bc.progeny_id, &dispc[15]); // int64_t
221	for (int i = 15; i >= 0; --i) {
222	dispc[i] -= dispc[0];
223	}
224
225	int blocksc[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};
226	MPI_Datatype typesc[] = {MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE,
227	MPI_DOUBLE, MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_INT,
228	MPI_INT, MPI_INT, MPI_INT, MPI_INT64_T, MPI_INT64_T};
229
230	MPI_Type_create_struct(
231	16, blocksc, dispc, typesc, &mpi::collision_track_site);
232	MPI_Type_commit(&mpi::collision_track_site);
233	}
234	#endif // OPENMC_MPI
235
236	int parse_command_line(int argc, char* argv[])	2,711✔
237	{
238	int last_flag = 0;	2,711✔
239	for (int i = 1; i < argc; ++i) {	3,099✔
240	std::string arg {argv[i]};	392✔
241	if (arg[0] == '-') {	392✔
242	if (arg == "-p" \|\| arg == "--plot") {	668!
243	settings::run_mode = RunMode::PLOTTING;	44✔
244	settings::check_overlaps = true;	44✔
245
246	} else if (arg == "-n" \|\| arg == "--particles") {	624!
247	i += 1;	×
248	settings::n_particles = std::stoll(argv[i]);	×
249
250	} else if (arg == "-q" \|\| arg == "--verbosity") {	624!
251	i += 1;	×
252	settings::verbosity = std::stoi(argv[i]);	×
253	if (settings::verbosity > 10 \|\| settings::verbosity < 1) {	×
254	auto msg = fmt::format("Invalid verbosity: {}.", settings::verbosity);	×
255	strcpy(openmc_err_msg, msg.c_str());	×
256	return OPENMC_E_INVALID_ARGUMENT;	×
257	}	×
258
259	} else if (arg == "-e" \|\| arg == "--event") {	624!
UNCOV 260	settings::event_based = true;	×
261	} else if (arg == "-r" \|\| arg == "--restart") {	588!
262	i += 1;	36✔
263	// Check what type of file this is
264	hid_t file_id = file_open(argv[i], 'r', true);	36✔
265	std::string filetype;	36✔
266	read_attribute(file_id, "filetype", filetype);	36✔
267	file_close(file_id);	36✔
268
269	// Set path and flag for type of run
270	if (filetype == "statepoint") {	36✔
271	settings::path_statepoint = argv[i];	20✔
272	settings::path_statepoint_c = settings::path_statepoint.c_str();	20✔
273	settings::restart_run = true;	20✔
274	} else if (filetype == "particle restart") {	16!
275	settings::path_particle_restart = argv[i];	16✔
276	settings::particle_restart_run = true;	16✔
277	} else {
278	auto msg =	×
279	fmt::format("Unrecognized file after restart flag: {}.", filetype);	×
280	strcpy(openmc_err_msg, msg.c_str());	×
281	return OPENMC_E_INVALID_ARGUMENT;	×
282	}	×
283
284	// If its a restart run check for additional source file
285	if (settings::restart_run && i + 1 < argc) {	36!
286	// Check if it has extension we can read
287	if (ends_with(argv[i + 1], ".h5")) {	×
288
289	// Check file type is a source file
290	file_id = file_open(argv[i + 1], 'r', true);	×
291	read_attribute(file_id, "filetype", filetype);	×
292	file_close(file_id);	×
293	if (filetype != "source") {	×
294	std::string msg {	×
295	"Second file after restart flag must be a source file"};	×
296	strcpy(openmc_err_msg, msg.c_str());	×
297	return OPENMC_E_INVALID_ARGUMENT;	×
298	}	×
299
300	// It is a source file
301	settings::path_sourcepoint = argv[i + 1];	36!
302	i += 1;
303
304	} else {
305	// Source is in statepoint file
306	settings::path_sourcepoint = settings::path_statepoint;	×
307	}
308
309	} else {
310	// Source is assumed to be in statepoint file
311	settings::path_sourcepoint = settings::path_statepoint;	72✔
312	}
313
314	} else if (arg == "-g" \|\| arg == "--geometry-debug") {	588!
315	settings::check_overlaps = true;	×
316	} else if (arg == "-c" \|\| arg == "--volume") {	336✔
317	settings::run_mode = RunMode::VOLUME;	248✔
318	} else if (arg == "-s" \|\| arg == "--threads") {	48!
319	// Read number of threads
320	i += 1;	8✔
321
322	#ifdef _OPENMP
323	// Read and set number of OpenMP threads
324	int n_threads = std::stoi(argv[i]);	4✔
325	if (n_threads < 1) {	2!
326	std::string msg {"Number of threads must be positive."};	×
327	strcpy(openmc_err_msg, msg.c_str());
328	return OPENMC_E_INVALID_ARGUMENT;
329	}
330	omp_set_num_threads(n_threads);	2✔
331	#else
332	if (mpi::master) {	6!
333	warning("Ignoring number of threads specified on command line.");	12✔
334	}
335	#endif
336
337	} else if (arg == "-?" \|\| arg == "-h" \|\| arg == "--help") {	60!
338	print_usage();	×
339	return OPENMC_E_UNASSIGNED;	×
340
341	} else if (arg == "-v" \|\| arg == "--version") {	36!
342	print_version();	4✔
343	print_build_info();	4✔
344	return OPENMC_E_UNASSIGNED;	4✔
345
346	} else if (arg == "-t" \|\| arg == "--track") {	16!
347	settings::write_all_tracks = true;	16✔
348
349	} else {
350	fmt::print(stderr, "Unknown option: {}\n", argv[i]);	×
351	print_usage();	×
352	return OPENMC_E_UNASSIGNED;	×
353	}
354
355	last_flag = i;
356	}
357	}	392✔
358
359	// Determine directory where XML input files are
360	if (argc > 1 && last_flag < argc - 1) {	2,707✔
361	settings::path_input = std::string(argv[last_flag + 1]);	36✔
362
363	// check that the path is either a valid directory or file
364	if (!dir_exists(settings::path_input) &&	68✔
365	!file_exists(settings::path_input)) {	32✔
366	fatal_error(fmt::format(	12✔
367	"The path specified to the OpenMC executable '{}' does not exist.",
368	settings::path_input));
369	}
370
371	// Add slash at end of directory if it isn't there
372	if (!ends_with(settings::path_input, "/") &&	72!
373	dir_exists(settings::path_input)) {	24✔
374	settings::path_input += "/";	2,699✔
375	}
376	}
377
378	return 0;
379	}
380
381	// TODO: Pulse-height tallies require per-history scoring across the full
382	// particle tree (parent + all descendants). The shared secondary bank
383	// transports each secondary as an independent Particle, breaking this
384	// assumption. A proper fix would defer pulse-height scoring: save
385	// (root_source_id, cell, pht_storage) per particle, then aggregate by
386	// root_source_id after all secondary generations complete before scoring
387	// into the histogram. For now, disable shared secondary when pulse-height
388	// tallies are present.
389	static void check_pulse_height_compatibility()	2,659✔
390	{
391	if (settings::use_shared_secondary_bank) {	2,659✔
392	for (const auto& t : model::tallies) {	148✔
393	if (t->type_ == TallyType::PULSE_HEIGHT) {	84✔
394	settings::use_shared_secondary_bank = false;	8✔
395	warning("Pulse-height tallies are not yet compatible with the shared "	8✔
396	"secondary bank. Disabling shared secondary bank.");
397	break;	8✔
398	}
399	}
400	}
401	}	2,659✔
402
403	bool read_model_xml()	2,695✔
404	{
405	std::string model_filename = settings::path_input;	2,695✔
406
407	// if the current filename is a directory, append the default model filename
408	if (model_filename.empty() \|\| dir_exists(model_filename))	2,695✔
409	model_filename += "model.xml";	2,675✔
410
411	// if this file doesn't exist, stop here
412	if (!file_exists(model_filename))	2,695✔
413	return false;
414
415	// try to process the path input as an XML file
416	pugi::xml_document doc;	2,267✔
417	if (!doc.load_file(model_filename.c_str())) {	2,267!
418	fatal_error(fmt::format(	×
419	"Error reading from single XML input file '{}'", model_filename));
420	}
421
422	pugi::xml_node root = doc.document_element();	2,267✔
423
424	// Read settings
425	if (!check_for_node(root, "settings")) {	2,267!
426	fatal_error("No <settings> node present in the model.xml file.");	×
427	}
428	auto settings_root = root.child("settings");	2,267✔
429
430	// Verbosity
431	if (check_for_node(settings_root, "verbosity") && settings::verbosity == -1) {	2,267!
432	settings::verbosity = std::stoi(get_node_value(settings_root, "verbosity"));	16✔
433	} else if (settings::verbosity == -1) {	2,259!
434	settings::verbosity = 7;	2,259✔
435	}
436
437	// To this point, we haven't displayed any output since we didn't know what
438	// the verbosity is. Now that we checked for it, show the title if necessary
439	if (mpi::master) {	2,267!
440	if (settings::verbosity >= 2)	2,267✔
441	title();	2,259✔
442	}
443
444	write_message(	2,267✔
445	fmt::format("Reading model XML file '{}' ...", model_filename), 5);	2,267✔
446
447	read_settings_xml(settings_root);	2,267✔
448
449	// If other XML files are present, display warning
450	// that they will be ignored
451	auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml",	2,243✔
452	"tallies.xml", "plots.xml"};	2,243✔
453	for (const auto& input : other_inputs) {	13,186✔
454	if (file_exists(settings::path_input + input)) {	11,007✔
455	warning((fmt::format("Other XML file input(s) are present. These files "	64✔
456	"may be ignored in favor of the {} file.",
457	model_filename)));
458	break;	64✔
459	}
460	}
461
462	// Read data from chain file
463	read_chain_file_xml();	2,243✔
464
465	// Read materials and cross sections
466	if (!check_for_node(root, "materials")) {	2,243!
467	fatal_error(fmt::format(	×
468	"No <materials> node present in the {} file.", model_filename));
469	}
470
471	if (settings::run_mode != RunMode::PLOTTING) {	2,243✔
472	read_cross_sections_xml(root.child("materials"));	2,211✔
473	}
474	read_materials_xml(root.child("materials"));	2,243✔
475
476	// Read geometry
477	if (!check_for_node(root, "geometry")) {	2,243!
478	fatal_error(fmt::format(	×
479	"No <geometry> node present in the {} file.", model_filename));
480	}
481	read_geometry_xml(root.child("geometry"));	2,243✔
482
483	// Final geometry setup and assign temperatures
484	finalize_geometry();	2,243✔
485
486	// Finalize cross sections having assigned temperatures
487	finalize_cross_sections();	2,243✔
488
489	// Compute cell density multipliers now that material densities
490	// have been finalized (from geometry_aux.h)
491	finalize_cell_densities();	2,243✔
492
493	if (check_for_node(root, "tallies"))	2,243✔
494	read_tallies_xml(root.child("tallies"));	1,328✔
495
496	check_pulse_height_compatibility();	2,235✔
497
498	// Initialize distribcell_filters
499	prepare_distribcell();	2,235✔
500
501	if (check_for_node(root, "plots")) {	2,235✔
502	read_plots_xml(root.child("plots"));	124✔
503	} else {
504	// When no <plots> element is present in the model.xml file, check for a
505	// regular plots.xml file
506	std::string filename = settings::path_input + "plots.xml";	2,111✔
507	if (file_exists(filename)) {	2,111!
508	read_plots_xml();	×
509	}
510	}	2,111✔
511
512	finalize_variance_reduction();	2,231✔
513
514	return true;	2,231✔
515	}	4,890✔
516
517	void read_separate_xml_files()	428✔
518	{
519	read_settings_xml();	428✔
520	if (settings::run_mode != RunMode::PLOTTING) {	424✔
521	read_cross_sections_xml();	412✔
522	}
523
524	// Read data from chain file
525	read_chain_file_xml();	424✔
526
527	read_materials_xml();	424✔
528	read_geometry_xml();	424✔
529
530	// Final geometry setup and assign temperatures
531	finalize_geometry();	424✔
532
533	// Finalize cross sections having assigned temperatures
534	finalize_cross_sections();	424✔
535
536	// Compute cell density multipliers now that material densities
537	// have been finalized (from geometry_aux.h)
538	finalize_cell_densities();	424✔
539
540	read_tallies_xml();	424✔
541
542	check_pulse_height_compatibility();	424✔
543
544	// Initialize distribcell_filters
545	prepare_distribcell();	424✔
546
547	// Read the plots.xml regardless of plot mode in case plots are requested
548	// via the API
549	read_plots_xml();	424✔
550
551	finalize_variance_reduction();	424✔
552	}	424✔
553
554	void initial_output()	2,655✔
555	{
556	// write initial output
557	if (settings::run_mode == RunMode::PLOTTING) {	2,655✔
558	// Read plots.xml if it exists
559	if (mpi::master && settings::verbosity >= 5)	40!
560	print_plot();	32✔
561
562	} else {
563	// Write summary information
564	if (mpi::master && settings::output_summary)	2,615!
565	write_summary();	2,491✔
566
567	// Warn if overlap checking is on
568	if (mpi::master && settings::check_overlaps) {	2,615!
569	warning("Cell overlap checking is ON.");	×
570	}
571	}
572	}	2,655✔
573
574	} // namespace openmc

openmc-dev / openmc / 23011177584

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