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option to split source particle list per batch
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@zoeprieto
zoeprieto committed Sep 10, 2024
1 parent 29f2aa7 commit 201ca7f
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Showing 4 changed files with 86 additions and 43 deletions.
17 changes: 9 additions & 8 deletions include/openmc/settings.h
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Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,8 @@ extern bool source_mcpl_write; //!< write source in mcpl files?
extern bool surf_source_write; //!< write surface source file?
extern bool surf_mcpl_write; //!< write surface mcpl file?
extern bool surf_source_read; //!< read surface source file?
extern bool info_surface_source; //!< write surface source message?
extern bool info_surface_source; //!< print surface source info?
extern bool split_file_per_batch; //!< create surface source file per batch?
extern bool survival_biasing; //!< use survival biasing?
extern bool temperature_multipole; //!< use multipole data?
extern "C" bool trigger_on; //!< tally triggers enabled?
Expand Down Expand Up @@ -134,12 +135,12 @@ extern int
max_history_splits; //!< maximum number of particle splits for weight windows
extern int64_t max_surface_particles; //!< maximum number of particles to be
//!< banked on surfaces per process
extern int64_t max_files; //!< maximum number of particle files to be
//!< created
extern int64_t ssw_cell_id; //!< Cell id for the surface source
//!< write setting
extern SSWCellType ssw_cell_type; //!< Type of option for the cell
//!< argument of surface source write
extern int64_t n_surf_source_files; //!< number of surfaces source files to be
//!< created for the n last batches
extern int64_t ssw_cell_id; //!< Cell id for the surface source
//!< write setting
extern SSWCellType ssw_cell_type; //!< Type of option for the cell
//!< argument of surface source write
extern TemperatureMethod
temperature_method; //!< method for choosing temperatures
extern double
Expand Down Expand Up @@ -174,4 +175,4 @@ void free_memory_settings();

} // namespace openmc

#endif // OPENMC_SETTINGS_H
#endif // OPENMC_SETTINGS_H
29 changes: 20 additions & 9 deletions openmc/settings.py
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Original file line number Diff line number Diff line change
Expand Up @@ -207,8 +207,10 @@ class Settings:
banked (int)
:max_particles: Maximum number of particles to be banked on surfaces per
process (int)
:max_files: Maximum number of particles list files (int)
:info_surface_source: write message with surface source info (bool)
:split_file_per_batch: create surface source file per batch (bool)
:n_surf_source_files: Number of surfaces source files to be created
for the n last batches (int)
:info_surface_source: print number of particle saved in surface source file (bool)
:mcpl: Output in the form of an MCPL-file (bool)
:cell: Cell ID used to determine if particles crossing identified
surfaces are to be banked. Particles coming from or going to this
Expand Down Expand Up @@ -716,7 +718,8 @@ def surf_source_write(self, surf_source_write: dict):
cv.check_value(
"surface source writing key",
key,
("surface_ids", "max_particles", "max_files", "info_surface_source", "mcpl", "cell", "cellfrom", "cellto"),
("surface_ids", "max_particles", "split_file_per_batch", "n_surf_source_files", "info_surface_source",
"mcpl", "cell", "cellfrom", "cellto"),
)
if key == "surface_ids":
cv.check_type(
Expand All @@ -726,12 +729,14 @@ def surf_source_write(self, surf_source_write: dict):
cv.check_greater_than("surface id for source banking", surf_id, 0)
elif key == "mcpl":
cv.check_type("write to an MCPL-format file", value, bool)
elif key == "split_file_per_batch":
cv.check_type("create surface source file per batch", value, bool)
elif key == "info_surface_source":
cv.check_type("write message with surface source info", value, bool)
elif key in ("max_particles", "max_files", "cell", "cellfrom", "cellto"):
elif key in ("max_particles", "n_surf_source_files", "cell", "cellfrom", "cellto"):
name = {
"max_particles": "maximum particle banks on surfaces per process",
"max_files": "maximum source particle list files.",
"n_surf_source_files": "number of surfaces source files.",
"cell": "Cell ID for source banking (from or to)",
"cellfrom": "Cell ID for source banking (from only)",
"cellto": "Cell ID for source banking (to only)",
Expand Down Expand Up @@ -1248,10 +1253,13 @@ def _create_surf_source_write_subelement(self, root):
if "mcpl" in self._surf_source_write:
subelement = ET.SubElement(element, "mcpl")
subelement.text = str(self._surf_source_write["mcpl"]).lower()
if "split_file_per_batch" in self._surf_source_write:
subelement = ET.SubElement(element, "split_file_per_batch")
subelement.text = str(self._surf_source_write["split_file_per_batch"]).lower()
if "info_surface_source" in self._surf_source_write:
subelement = ET.SubElement(element, "info_surface_source")
subelement.text = str(self._surf_source_write["info_surface_source"]).lower()
for key in ("max_particles", "max_files", "cell", "cellfrom", "cellto"):
for key in ("max_particles", "n_surf_source_files", "cell", "cellfrom", "cellto"):
if key in self._surf_source_write:
subelement = ET.SubElement(element, key)
subelement.text = str(self._surf_source_write[key])
Expand Down Expand Up @@ -1650,16 +1658,19 @@ def _surf_source_write_from_xml_element(self, root):
elem = root.find('surf_source_write')
if elem is None:
return
for key in ('surface_ids', 'max_particles', 'max_files', 'info_surface_source', 'mcpl', 'cell', 'cellto', 'cellfrom'):
for key in ('surface_ids', 'max_particles', 'split_file_per_batch', 'n_surf_source_files', 'info_surface_source',
'mcpl', 'cell', 'cellto', 'cellfrom'):
value = get_text(elem, key)
if value is not None:
if key == 'surface_ids':
value = [int(x) for x in value.split()]
elif key == 'mcpl':
value = value in ('true', '1')
elif key == 'split_file_per_batch':
value = value in ('true', '1')
elif key == 'info_surface_source':
value = value in ('true', '1')
elif key in ('max_particles', 'max_files', 'cell', 'cellfrom', 'cellto'):
elif key in ('max_particles', 'n_surf_source_files', 'cell', 'cellfrom', 'cellto'):
value = int(value)
self.surf_source_write[key] = value

Expand Down Expand Up @@ -2098,4 +2109,4 @@ def from_xml(cls, path: PathLike = 'settings.xml'):
tree = ET.parse(path, parser=parser)
root = tree.getroot()
meshes = _read_meshes(root)
return cls.from_xml_element(root, meshes)
return cls.from_xml_element(root, meshes)
25 changes: 17 additions & 8 deletions src/settings.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -79,6 +79,7 @@ bool weight_window_checkpoint_surface {false};
bool weight_window_checkpoint_collision {true};
bool write_all_tracks {false};
bool write_initial_source {false};
bool split_file_per_batch {false};
bool info_surface_source {false};

std::string path_cross_sections;
Expand Down Expand Up @@ -120,7 +121,7 @@ std::unordered_set<int> sourcepoint_batch;
std::unordered_set<int> statepoint_batch;
std::unordered_set<int> source_write_surf_id;
int64_t max_surface_particles;
int64_t max_files {1};
int64_t n_surf_source_files {1};
int64_t ssw_cell_id {C_NONE};
SSWCellType ssw_cell_type {SSWCellType::None};
TemperatureMethod temperature_method {TemperatureMethod::NEAREST};
Expand Down Expand Up @@ -796,18 +797,26 @@ void read_settings_xml(pugi::xml_node root)
}

// Get maximum number of files per batch to be created
if (check_for_node(node_ssw, "max_files")) {
max_files = std::stoll(get_node_value(node_ssw, "max_files"));
if (check_for_node(node_ssw, "n_surf_source_files")) {
n_surf_source_files =
std::stoll(get_node_value(node_ssw, "n_surf_source_files"));
// Make sure you have enough batchs
if (max_files > (n_batches - n_inactive)) {
fatal_error("The maximum number of particle files must to be higher "
"than the number of active simulated batchs.");
if (n_surf_source_files > (n_batches - n_inactive)) {
fatal_error("The number of surface source files must to be lower "
"than the number of active simulated batches.");
}
}

// Check if we want create surface source file per batch
if (check_for_node(node_ssw, "split_file_per_batch")) {
split_file_per_batch =
get_node_value_bool(node_ssw, "split_file_per_batch");
}

// Check if we want to write info about surface source
if (check_for_node(node_ssw, "info_surface_source")) {
info_surface_source = get_node_value_bool(node_ssw, "info_surface_source");
info_surface_source =
get_node_value_bool(node_ssw, "info_surface_source");
}

if (check_for_node(node_ssw, "mcpl")) {
Expand Down Expand Up @@ -1151,4 +1160,4 @@ extern "C" int openmc_get_n_batches(int* n_batches, bool get_max_batches)
return 0;
}

} // namespace openmc
} // namespace openmc
58 changes: 40 additions & 18 deletions src/simulation.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -346,8 +346,10 @@ void initialize_batch()
// Increment current batch
++simulation::current_batch;

simulation::surf_source_bank.clear();
simulation::surf_source_bank.reserve(settings::max_surface_particles);
if(settings::split_file_per_batch){
simulation::surf_source_bank.clear();
simulation::surf_source_bank.reserve(settings::max_surface_particles);
}

if (settings::run_mode == RunMode::FIXED_SOURCE) {
if (settings::solver_type == SolverType::RANDOM_RAY &&
Expand Down Expand Up @@ -467,22 +469,42 @@ void finalize_batch()
}

// Write out surface source if requested.
if (settings::surf_source_write &&
simulation::current_batch > (settings::n_batches - settings::max_files) &&
simulation::current_batch > (settings::n_inactive)) {
auto filename = settings::path_output + "surface_source_batch_" +
std::to_string(simulation::current_batch);
auto surf_work_index =
mpi::calculate_parallel_index_vector(simulation::surf_source_bank.size());
gsl::span<SourceSite> 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);
if (settings::surf_source_write) {
if (simulation::current_batch == settings::n_batches &&
settings::split_file_per_batch == false) {
auto filename = settings::path_output + "surface_source";
auto surf_work_index = mpi::calculate_parallel_index_vector(
simulation::surf_source_bank.size());
gsl::span<SourceSite> 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);
}
}
if (settings::info_surface_source){
write_message("Info surface source crossing {}/{}", simulation::surf_source_bank.size(), settings::n_particles);
else if (settings::split_file_per_batch &&
simulation::current_batch >
(settings::n_batches - settings::n_surf_source_files))
{
auto filename = settings::path_output + "surface_source_batch_" +
std::to_string(simulation::current_batch);
auto surf_work_index = mpi::calculate_parallel_index_vector(
simulation::surf_source_bank.size());
gsl::span<SourceSite> 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);
}
if (settings::info_surface_source) {
write_message(
"Number of particles saved in the surface source file {}/{}",
simulation::surf_source_bank.size(), settings::n_particles);
}
}
}
}
Expand Down Expand Up @@ -848,4 +870,4 @@ void transport_event_based()
}
}

} // namespace openmc
} // namespace openmc

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