#include "openmc/simulation.h" #include "openmc/bank.h" #include "openmc/capi.h" #include "openmc/container_util.h" #include "openmc/eigenvalue.h" #include "openmc/error.h" #include "openmc/event.h" #include "openmc/geometry_aux.h" #include "openmc/material.h" #include "openmc/mcpl_interface.h" #include "openmc/message_passing.h" #include "openmc/nuclide.h" #include "openmc/output.h" #include "openmc/particle.h" #include "openmc/photon.h" #include "openmc/random_lcg.h" #include "openmc/settings.h" #include "openmc/source.h" #include "openmc/state_point.h" #include "openmc/tallies/derivative.h" #include "openmc/tallies/filter.h" #include "openmc/tallies/tally.h" #include "openmc/tallies/trigger.h" #include "openmc/timer.h" #include "openmc/track_output.h" #ifdef _OPENMP #include #endif #include "xtensor/xview.hpp" #ifdef OPENMC_MPI #include #endif #include #include #include #include //============================================================================== // C API functions //============================================================================== // OPENMC_RUN encompasses all the main logic where iterations are performed // over the batches, generations, and histories in a fixed source or // k-eigenvalue calculation. int openmc_run() { openmc::simulation::time_total.start(); openmc_simulation_init(); int err = 0; int status = 0; while (status == 0 && err == 0) { err = openmc_next_batch(&status); } openmc_simulation_finalize(); openmc::simulation::time_total.stop(); return err; } int openmc_simulation_init() { using namespace openmc; // Skip if simulation has already been initialized if (simulation::initialized) return 0; // Initialize nuclear data (energy limits, log grid) if (settings::run_CE) { initialize_data(); } // Determine how much work each process should do calculate_work(); // Allocate source, fission and surface source banks. allocate_banks(); // Create track file if needed if (!settings::track_identifiers.empty() || settings::write_all_tracks) { open_track_file(); } // If doing an event-based simulation, intialize the particle buffer // and event queues if (settings::event_based) { int64_t event_buffer_length = std::min(simulation::work_per_rank, settings::max_particles_in_flight); init_event_queues(event_buffer_length); } // Allocate tally results arrays if they're not allocated yet for (auto& t : model::tallies) { t->set_strides(); t->init_results(); } // Set up material nuclide index mapping for (auto& mat : model::materials) { mat->init_nuclide_index(); } // Reset global variables -- this is done before loading state point (as that // will potentially populate k_generation and entropy) simulation::current_batch = 0; simulation::k_generation.clear(); simulation::entropy.clear(); openmc_reset(); // If this is a restart run, load the state point data and binary source // file if (settings::restart_run) { load_state_point(); write_message("Resuming simulation...", 6); } else { // Only initialize primary source bank for eigenvalue simulations if (settings::run_mode == RunMode::EIGENVALUE) { initialize_source(); } } // Display header if (mpi::master) { if (settings::run_mode == RunMode::FIXED_SOURCE) { header("FIXED SOURCE TRANSPORT SIMULATION", 3); } else if (settings::run_mode == RunMode::EIGENVALUE) { header("K EIGENVALUE SIMULATION", 3); if (settings::verbosity >= 7) print_columns(); } } // Set flag indicating initialization is done simulation::initialized = true; return 0; } int openmc_simulation_finalize() { using namespace openmc; // Skip if simulation was never run if (!simulation::initialized) return 0; // Stop active batch timer and start finalization timer simulation::time_active.stop(); simulation::time_finalize.start(); // Clear material nuclide mapping for (auto& mat : model::materials) { mat->mat_nuclide_index_.clear(); } // Close track file if open if (!settings::track_identifiers.empty() || settings::write_all_tracks) { close_track_file(); } // Increment total number of generations simulation::total_gen += simulation::current_batch * settings::gen_per_batch; #ifdef OPENMC_MPI broadcast_results(); #endif // Write tally results to tallies.out if (settings::output_tallies && mpi::master) write_tallies(); // Deactivate all tallies for (auto& t : model::tallies) { t->active_ = false; } // Stop timers and show timing statistics simulation::time_finalize.stop(); simulation::time_total.stop(); if (mpi::master) { if (settings::verbosity >= 6) print_runtime(); if (settings::verbosity >= 4) print_results(); } if (settings::check_overlaps) print_overlap_check(); // Reset flags simulation::initialized = false; return 0; } int openmc_next_batch(int* status) { using namespace openmc; using openmc::simulation::current_gen; // Make sure simulation has been initialized if (!simulation::initialized) { set_errmsg("Simulation has not been initialized yet."); return OPENMC_E_ALLOCATE; } initialize_batch(); // ======================================================================= // LOOP OVER GENERATIONS for (current_gen = 1; current_gen <= settings::gen_per_batch; ++current_gen) { initialize_generation(); // Start timer for transport simulation::time_transport.start(); // Transport loop if (settings::event_based) { transport_event_based(); } else { transport_history_based(); } // Accumulate time for transport simulation::time_transport.stop(); finalize_generation(); } finalize_batch(); // Check simulation ending criteria if (status) { if (simulation::current_batch >= settings::n_max_batches) { *status = STATUS_EXIT_MAX_BATCH; } else if (simulation::satisfy_triggers) { *status = STATUS_EXIT_ON_TRIGGER; } else { *status = STATUS_EXIT_NORMAL; } } return 0; } bool openmc_is_statepoint_batch() { using namespace openmc; using openmc::simulation::current_gen; if (!simulation::initialized) return false; else return contains(settings::statepoint_batch, simulation::current_batch); } namespace openmc { //============================================================================== // Global variables //============================================================================== namespace simulation { int current_batch; int current_gen; bool initialized {false}; double keff {1.0}; double keff_std; double k_col_abs {0.0}; double k_col_tra {0.0}; double k_abs_tra {0.0}; double log_spacing; int n_lost_particles {0}; bool need_depletion_rx {false}; int restart_batch; bool satisfy_triggers {false}; int total_gen {0}; double total_weight; int64_t work_per_rank; const RegularMesh* entropy_mesh {nullptr}; const RegularMesh* ufs_mesh {nullptr}; vector k_generation; vector work_index; } // namespace simulation //============================================================================== // Non-member functions //============================================================================== void allocate_banks() { if (settings::run_mode == RunMode::EIGENVALUE) { // Allocate source bank simulation::source_bank.resize(simulation::work_per_rank); // Allocate fission bank init_fission_bank(3 * simulation::work_per_rank); } if (settings::surf_source_write) { // Allocate surface source bank simulation::surf_source_bank.reserve(settings::max_surface_particles); } } void initialize_batch() { // Increment current batch ++simulation::current_batch; if (settings::run_mode == RunMode::FIXED_SOURCE) { write_message(6, "Simulating batch {}", simulation::current_batch); } // Reset total starting particle weight used for normalizing tallies simulation::total_weight = 0.0; // Determine if this batch is the first inactive or active batch. bool first_inactive = false; bool first_active = false; if (!settings::restart_run) { first_inactive = settings::n_inactive > 0 && simulation::current_batch == 1; first_active = simulation::current_batch == settings::n_inactive + 1; } else if (simulation::current_batch == simulation::restart_batch + 1) { first_inactive = simulation::restart_batch < settings::n_inactive; first_active = !first_inactive; } // Manage active/inactive timers and activate tallies if necessary. if (first_inactive) { simulation::time_inactive.start(); } else if (first_active) { simulation::time_inactive.stop(); simulation::time_active.start(); for (auto& t : model::tallies) { t->active_ = true; } } // Add user tallies to active tallies list setup_active_tallies(); } void finalize_batch() { // Reduce tallies onto master process and accumulate simulation::time_tallies.start(); accumulate_tallies(); simulation::time_tallies.stop(); // Reset global tally results if (simulation::current_batch <= settings::n_inactive) { xt::view(simulation::global_tallies, xt::all()) = 0.0; simulation::n_realizations = 0; } // Check_triggers if (mpi::master) check_triggers(); #ifdef OPENMC_MPI MPI_Bcast(&simulation::satisfy_triggers, 1, MPI_C_BOOL, 0, mpi::intracomm); #endif if (simulation::satisfy_triggers || (settings::trigger_on && simulation::current_batch == settings::n_max_batches)) { settings::statepoint_batch.insert(simulation::current_batch); } // Write out state point if it's been specified for this batch and is not // a CMFD run instance if (contains(settings::statepoint_batch, simulation::current_batch) && !settings::cmfd_run) { if (contains(settings::sourcepoint_batch, simulation::current_batch) && settings::source_write && !settings::source_separate) { bool b = (settings::run_mode == RunMode::EIGENVALUE); openmc_statepoint_write(nullptr, &b); } else { bool b = false; openmc_statepoint_write(nullptr, &b); } } if (settings::run_mode == RunMode::EIGENVALUE) { // Write out a separate source point if it's been specified for this batch if (contains(settings::sourcepoint_batch, simulation::current_batch) && settings::source_write && settings::source_separate) { // Determine width for zero padding int w = std::to_string(settings::n_max_batches).size(); std::string source_point_filename = fmt::format("{0}source.{1:0{2}}", settings::path_output, simulation::current_batch, w); gsl::span bankspan(simulation::source_bank); if (settings::source_mcpl_write) { write_mcpl_source_point( source_point_filename.c_str(), bankspan, simulation::work_index); } else { write_source_point( source_point_filename.c_str(), bankspan, simulation::work_index); } } // Write a continously-overwritten source point if requested. if (settings::source_latest) { // note: correct file extension appended automatically auto filename = settings::path_output + "source"; gsl::span bankspan(simulation::source_bank); if (settings::source_mcpl_write) { write_mcpl_source_point( filename.c_str(), bankspan, simulation::work_index); } else { write_source_point(filename.c_str(), bankspan, simulation::work_index); } } } // Write out surface source if requested. if (settings::surf_source_write && simulation::current_batch == settings::n_batches) { auto filename = settings::path_output + "surface_source"; auto surf_work_index = mpi::calculate_parallel_index_vector(simulation::surf_source_bank.size()); gsl::span surfbankspan(simulation::surf_source_bank.begin(), simulation::surf_source_bank.size()); if (settings::surf_mcpl_write) { write_mcpl_source_point(filename.c_str(), surfbankspan, surf_work_index); } else { write_source_point(filename.c_str(), surfbankspan, surf_work_index); } } } void initialize_generation() { if (settings::run_mode == RunMode::EIGENVALUE) { // Clear out the fission bank simulation::fission_bank.resize(0); // Count source sites if using uniform fission source weighting if (settings::ufs_on) ufs_count_sites(); // Store current value of tracklength k simulation::keff_generation = simulation::global_tallies( GlobalTally::K_TRACKLENGTH, TallyResult::VALUE); } } void finalize_generation() { auto& gt = simulation::global_tallies; // Update global tallies with the accumulation variables if (settings::run_mode == RunMode::EIGENVALUE) { gt(GlobalTally::K_COLLISION, TallyResult::VALUE) += global_tally_collision; gt(GlobalTally::K_ABSORPTION, TallyResult::VALUE) += global_tally_absorption; gt(GlobalTally::K_TRACKLENGTH, TallyResult::VALUE) += global_tally_tracklength; } gt(GlobalTally::LEAKAGE, TallyResult::VALUE) += global_tally_leakage; // reset tallies if (settings::run_mode == RunMode::EIGENVALUE) { global_tally_collision = 0.0; global_tally_absorption = 0.0; global_tally_tracklength = 0.0; } global_tally_leakage = 0.0; if (settings::run_mode == RunMode::EIGENVALUE) { // If using shared memory, stable sort the fission bank (by parent IDs) // so as to allow for reproducibility regardless of which order particles // are run in. sort_fission_bank(); // Distribute fission bank across processors evenly synchronize_bank(); // Calculate shannon entropy if (settings::entropy_on) shannon_entropy(); // Collect results and statistics calculate_generation_keff(); calculate_average_keff(); // Write generation output if (mpi::master && settings::verbosity >= 7) { print_generation(); } } } void initialize_history(Particle& p, int64_t index_source) { // set defaults if (settings::run_mode == RunMode::EIGENVALUE) { // set defaults for eigenvalue simulations from primary bank p.from_source(&simulation::source_bank[index_source - 1]); } else if (settings::run_mode == RunMode::FIXED_SOURCE) { // initialize random number seed int64_t id = (simulation::total_gen + overall_generation() - 1) * settings::n_particles + simulation::work_index[mpi::rank] + index_source; uint64_t seed = init_seed(id, STREAM_SOURCE); // sample from external source distribution or custom library then set auto site = sample_external_source(&seed); p.from_source(&site); } p.current_work() = index_source; // set identifier for particle p.id() = simulation::work_index[mpi::rank] + index_source; // set progeny count to zero p.n_progeny() = 0; // Reset particle event counter p.n_event() = 0; // Reset split counter p.n_split() = 0; // Reset weight window ratio p.ww_factor() = 0.0; // set random number seed int64_t particle_seed = (simulation::total_gen + overall_generation() - 1) * settings::n_particles + p.id(); init_particle_seeds(particle_seed, p.seeds()); // set particle trace p.trace() = false; if (simulation::current_batch == settings::trace_batch && simulation::current_gen == settings::trace_gen && p.id() == settings::trace_particle) p.trace() = true; // Set particle track. p.write_track() = check_track_criteria(p); // Display message if high verbosity or trace is on if (settings::verbosity >= 9 || p.trace()) { write_message("Simulating Particle {}", p.id()); } // Add paricle's starting weight to count for normalizing tallies later #pragma omp atomic simulation::total_weight += p.wgt(); // Force calculation of cross-sections by setting last energy to zero if (settings::run_CE) { p.invalidate_neutron_xs(); } // Prepare to write out particle track. if (p.write_track()) add_particle_track(p); } int overall_generation() { using namespace simulation; return settings::gen_per_batch * (current_batch - 1) + current_gen; } void calculate_work() { // Determine minimum amount of particles to simulate on each processor int64_t min_work = settings::n_particles / mpi::n_procs; // Determine number of processors that have one extra particle int64_t remainder = settings::n_particles % mpi::n_procs; int64_t i_bank = 0; simulation::work_index.resize(mpi::n_procs + 1); simulation::work_index[0] = 0; for (int i = 0; i < mpi::n_procs; ++i) { // Number of particles for rank i int64_t work_i = i < remainder ? min_work + 1 : min_work; // Set number of particles if (mpi::rank == i) simulation::work_per_rank = work_i; // Set index into source bank for rank i i_bank += work_i; simulation::work_index[i + 1] = i_bank; } } void initialize_data() { // Determine minimum/maximum energy for incident neutron/photon data data::energy_max = {INFTY, INFTY}; data::energy_min = {0.0, 0.0}; for (const auto& nuc : data::nuclides) { if (nuc->grid_.size() >= 1) { int neutron = static_cast(ParticleType::neutron); data::energy_min[neutron] = std::max(data::energy_min[neutron], nuc->grid_[0].energy.front()); data::energy_max[neutron] = std::min(data::energy_max[neutron], nuc->grid_[0].energy.back()); } } if (settings::photon_transport) { for (const auto& elem : data::elements) { if (elem->energy_.size() >= 1) { int photon = static_cast(ParticleType::photon); int n = elem->energy_.size(); data::energy_min[photon] = std::max(data::energy_min[photon], std::exp(elem->energy_(1))); data::energy_max[photon] = std::min(data::energy_max[photon], std::exp(elem->energy_(n - 1))); } } if (settings::electron_treatment == ElectronTreatment::TTB) { // Determine if minimum/maximum energy for bremsstrahlung is greater/less // than the current minimum/maximum if (data::ttb_e_grid.size() >= 1) { int photon = static_cast(ParticleType::photon); int n_e = data::ttb_e_grid.size(); data::energy_min[photon] = std::max(data::energy_min[photon], std::exp(data::ttb_e_grid(1))); data::energy_max[photon] = std::min( data::energy_max[photon], std::exp(data::ttb_e_grid(n_e - 1))); } } } // Show which nuclide results in lowest energy for neutron transport for (const auto& nuc : data::nuclides) { // If a nuclide is present in a material that's not used in the model, its // grid has not been allocated if (nuc->grid_.size() > 0) { double max_E = nuc->grid_[0].energy.back(); int neutron = static_cast(ParticleType::neutron); if (max_E == data::energy_max[neutron]) { write_message(7, "Maximum neutron transport energy: {} eV for {}", data::energy_max[neutron], nuc->name_); if (mpi::master && data::energy_max[neutron] < 20.0e6) { warning("Maximum neutron energy is below 20 MeV. This may bias " "the results."); } break; } } } // Set up logarithmic grid for nuclides for (auto& nuc : data::nuclides) { nuc->init_grid(); } int neutron = static_cast(ParticleType::neutron); simulation::log_spacing = std::log(data::energy_max[neutron] / data::energy_min[neutron]) / settings::n_log_bins; } #ifdef OPENMC_MPI void broadcast_results() { // Broadcast tally results so that each process has access to results for (auto& t : model::tallies) { // Create a new datatype that consists of all values for a given filter // bin and then use that to broadcast. This is done to minimize the // chance of the 'count' argument of MPI_BCAST exceeding 2**31 auto& results = t->results_; auto shape = results.shape(); int count_per_filter = shape[1] * shape[2]; MPI_Datatype result_block; MPI_Type_contiguous(count_per_filter, MPI_DOUBLE, &result_block); MPI_Type_commit(&result_block); MPI_Bcast(results.data(), shape[0], result_block, 0, mpi::intracomm); MPI_Type_free(&result_block); } // Also broadcast global tally results auto& gt = simulation::global_tallies; MPI_Bcast(gt.data(), gt.size(), MPI_DOUBLE, 0, mpi::intracomm); // These guys are needed so that non-master processes can calculate the // combined estimate of k-effective double temp[] { simulation::k_col_abs, simulation::k_col_tra, simulation::k_abs_tra}; MPI_Bcast(temp, 3, MPI_DOUBLE, 0, mpi::intracomm); simulation::k_col_abs = temp[0]; simulation::k_col_tra = temp[1]; simulation::k_abs_tra = temp[2]; } #endif void free_memory_simulation() { simulation::k_generation.clear(); simulation::entropy.clear(); } void transport_history_based_single_particle(Particle& p) { while (true) { p.event_calculate_xs(); if (!p.alive()) break; p.event_advance(); if (p.collision_distance() > p.boundary().distance) { p.event_cross_surface(); } else { p.event_collide(); } p.event_revive_from_secondary(); if (!p.alive()) break; } p.event_death(); } void transport_history_based() { #pragma omp parallel for schedule(runtime) for (int64_t i_work = 1; i_work <= simulation::work_per_rank; ++i_work) { Particle p; initialize_history(p, i_work); transport_history_based_single_particle(p); } } void transport_event_based() { int64_t remaining_work = simulation::work_per_rank; int64_t source_offset = 0; // To cap the total amount of memory used to store particle object data, the // number of particles in flight at any point in time can bet set. In the case // that the maximum in flight particle count is lower than the total number // of particles that need to be run this iteration, the event-based transport // loop is executed multiple times until all particles have been completed. while (remaining_work > 0) { // Figure out # of particles to run for this subiteration int64_t n_particles = std::min(remaining_work, settings::max_particles_in_flight); // Initialize all particle histories for this subiteration process_init_events(n_particles, source_offset); // Event-based transport loop while (true) { // Determine which event kernel has the longest queue int64_t max = std::max({simulation::calculate_fuel_xs_queue.size(), simulation::calculate_nonfuel_xs_queue.size(), simulation::advance_particle_queue.size(), simulation::surface_crossing_queue.size(), simulation::collision_queue.size()}); // Execute event with the longest queue if (max == 0) { break; } else if (max == simulation::calculate_fuel_xs_queue.size()) { process_calculate_xs_events(simulation::calculate_fuel_xs_queue); } else if (max == simulation::calculate_nonfuel_xs_queue.size()) { process_calculate_xs_events(simulation::calculate_nonfuel_xs_queue); } else if (max == simulation::advance_particle_queue.size()) { process_advance_particle_events(); } else if (max == simulation::surface_crossing_queue.size()) { process_surface_crossing_events(); } else if (max == simulation::collision_queue.size()) { process_collision_events(); } } // Execute death event for all particles process_death_events(n_particles); // Adjust remaining work and source offset variables remaining_work -= n_particles; source_offset += n_particles; } } } // namespace openmc