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Calculate min/max energies during simulation_init

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This commit is contained in:
Paul Romano 2020-06-17 15:49:20 -05:00
parent 6aed017837
commit e579168969
3 changed files with 71 additions and 51 deletions
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3
include/openmc/simulation.h
View file

@ -57,6 +57,9 @@ void allocate_banks();
//! Determine number of particles to transport per process
void calculate_work();
//! Determine energy limits for incident neutron/photon data
void determine_energy_limits();
//! Initialize a batch
void initialize_batch();

51
src/cross_sections.cpp
View file

@ -226,16 +226,6 @@ read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
close_group(group);
file_close(file_id);
// Determine if minimum/maximum energy for this nuclide is greater/less
// than the previous
if (data::nuclides[i_nuclide]->grid_.size() >= 1) {
int neutron = static_cast<int>(Particle::Type::neutron);
data::energy_min[neutron] = std::max(data::energy_min[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.front());
data::energy_max[neutron] = std::min(data::energy_max[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.back());
}
// Add name and alias to dictionary
already_read.insert(name);
@ -257,18 +247,6 @@ read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
hid_t group = open_group(file_id, element.c_str());
data::elements.emplace_back(group);
// Determine if minimum/maximum energy for this element is greater/less than
// the previous
const auto& elem {data::elements.back()};
if (elem.energy_.size() >= 1) {
int photon = static_cast<int>(Particle::Type::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)));
}
close_group(group);
file_close(file_id);
@ -317,39 +295,10 @@ read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
} // materials
if (settings::photon_transport && 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<int>(Particle::Type::photon);
int n_e = data::ttb_e_grid.size();
data::energy_min[photon] = std::max(data::energy_min[photon], data::ttb_e_grid(1));
data::energy_max[photon] = std::min(data::energy_max[photon], data::ttb_e_grid(n_e - 1));
}
// Take logarithm of energies since they are log-log interpolated
data::ttb_e_grid = xt::log(data::ttb_e_grid);
}
// 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<int>(Particle::Type::neutron);
if (max_E == data::energy_max[neutron]) {
write_message("Maximum neutron transport energy: " +
std::to_string(data::energy_max[neutron]) + " eV for " +
nuc->name_, 7);
if (mpi::master && data::energy_max[neutron] < 20.0e6) {
warning("Maximum neutron energy is below 20 MeV. This may bias "
" the results.");
}
break;
}
}
}
// Show minimum/maximum temperature
write_message("Minimum neutron data temperature: " +
std::to_string(data::temperature_min) + " K", 4);

68
src/simulation.cpp
View file

@ -34,6 +34,7 @@
#endif
#include <algorithm>
#include <cmath>
#include <string>
@ -68,6 +69,11 @@ int openmc_simulation_init()
// Skip if simulation has already been initialized
if (simulation::initialized) return 0;
// Determine limits for incident neutron/photon data
if (settings::run_CE) {
determine_energy_limits();
}
// Set up logarithmic grid for nuclides
for (auto& nuc : data::nuclides) {
nuc->init_grid();
@ -563,6 +569,68 @@ void calculate_work()
}
}
void determine_energy_limits()
{
// 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<int>(Particle::Type::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<int>(Particle::Type::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<int>(Particle::Type::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<int>(Particle::Type::neutron);
if (max_E == data::energy_max[neutron]) {
write_message("Maximum neutron transport energy: " +
std::to_string(data::energy_max[neutron]) + " eV for " +
nuc->name_, 7);
if (mpi::master && data::energy_max[neutron] < 20.0e6) {
warning("Maximum neutron energy is below 20 MeV. This may bias "
"the results.");
}
break;
}
}
}
}
#ifdef OPENMC_MPI
void broadcast_results() {
// Broadcast tally results so that each process has access to results