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feat(diagnostics)

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Improved CVODE step diagnostics to be able to save intermediate
jacobians and to be print which species are limiting the timestepping
This commit is contained in:
Emily Boudreaux
2025-11-15 09:02:08 -05:00
parent b5d76e3728
commit 4a404f6e12
2 changed files with 42 additions and 10 deletions
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15
src/include/gridfire/engine/diagnostics/dynamic_engine_diagnostics.h
View File

@@ -10,7 +10,6 @@ namespace gridfire::diagnostics {
const DynamicEngine& engine,
const std::vector<double>& Y_full,
const std::vector<double>& E_full,
const std::vector<double>& dydt_full,
double relTol,
double absTol,
size_t top_n = 10
@@ -31,4 +30,18 @@ namespace gridfire::diagnostics {
double rho
);
void inspect_jacobian_stiffness(
const DynamicEngine& engine,
const fourdst::composition::Composition &comp,
double T9,
double rho,
bool save,
const std::optional<std::string>& filename
);
void save_jacobian_to_file(
const NetworkJacobian& jacobian,
const std::string& filename
);
}

37
src/lib/engine/diagnostics/dynamic_engine_diagnostics.cpp
View File

@@ -13,16 +13,15 @@ namespace gridfire::diagnostics {
const DynamicEngine& engine,
const std::vector<double>& Y_full,
const std::vector<double>& E_full,
const std::vector<double>& dydt_full,
const double relTol,
const double absTol,
const size_t top_n
) {
struct SpeciesError {
std::string name;
double error;
double ratio;
double abundance;
double dydt;
};
const auto& species_list = engine.getNetworkSpecies();
@@ -34,9 +33,9 @@ namespace gridfire::diagnostics {
const double ratio = std::abs(E_full[i]) / weight;
errors.push_back({
std::string(species_list[i].name()),
E_full[i],
ratio,
Y_full[i],
dydt_full[i]
});
}
}
@@ -52,20 +51,20 @@ namespace gridfire::diagnostics {
std::vector<std::string> sorted_speciesNames;
std::vector<double> sorted_err_ratios;
std::vector<double> sorted_abundances;
std::vector<double> sorted_dydt;
std::vector<double> sorted_errors;
for (size_t i = 0; i < std::min(top_n, errors.size()); ++i) {
sorted_speciesNames.push_back(errors[i].name);
sorted_err_ratios.push_back(errors[i].ratio);
sorted_abundances.push_back(errors[i].abundance);
sorted_dydt.push_back(errors[i].dydt);
sorted_errors.push_back(errors[i].error);
}
std::vector<std::unique_ptr<utils::ColumnBase>> columns;
columns.push_back(std::make_unique<utils::Column<std::string>>("Species", sorted_speciesNames));
columns.push_back(std::make_unique<utils::Column<double>>("Error Ratio", sorted_err_ratios));
columns.push_back(std::make_unique<utils::Column<double>>("Abundance", sorted_abundances));
columns.push_back(std::make_unique<utils::Column<double>>("dY/dt", sorted_dydt));
columns.push_back(std::make_unique<utils::Column<double>>("Error", sorted_errors));
std::cout << utils::format_table("Timestep Limiting Species", columns) << std::endl;
}
@@ -128,12 +127,33 @@ namespace gridfire::diagnostics {
}
void inspect_jacobian_stiffness(
const DynamicEngine& engine,
const DynamicEngine &engine,
const fourdst::composition::Composition &comp,
const double T9,
const double rho
) {
const NetworkJacobian jac = engine.generateJacobianMatrix(comp, T9, rho);
inspect_jacobian_stiffness(engine, comp, T9, rho, false, std::nullopt);
}
void inspect_jacobian_stiffness(
const DynamicEngine& engine,
const fourdst::composition::Composition &comp,
const double T9,
const double rho,
const bool save,
const std::optional<std::string> &filename
) {
NetworkJacobian jac = engine.generateJacobianMatrix(comp, T9, rho);
jac = regularize_jacobian(jac, comp);
if (save) {
if (!filename.has_value()) {
throw std::invalid_argument("Filename must be provided when save is true.");
}
jac.to_csv(filename.value());
}
const auto& species_list = engine.getNetworkSpecies();
double max_diag = 0.0;
@@ -164,5 +184,4 @@ namespace gridfire::diagnostics {
}
std::cout << "---------------------------------" << std::endl;
}
}