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feat(SpectralSolver): Began work on multizone spectral solver

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The single zone solver we have is too slow for a true high resolution
multi-zone enviroment. Began work on a spectral element method
multi-zone solver
This commit is contained in:
Emily Boudreaux
2025-12-10 12:50:35 -05:00
parent b57ed57166
commit 97a7fd05d2
16 changed files with 1100 additions and 91 deletions
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44
src/lib/engine/views/engine_multiscale.cpp
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@@ -232,8 +232,7 @@ namespace gridfire::engine {
}
return ss.str();
}());
// TODO: Figure out why setting trust -> trust causes issues. The only place I think I am setting that to true is in AdaptiveEngineView which has just called getNormalizedEquilibratedComposition...
const fourdst::composition::Composition qseComposition = getNormalizedEquilibratedComposition(comp, T9, rho, false);
const fourdst::composition::Composition qseComposition = getNormalizedEquilibratedComposition(comp, T9, rho, trust);
LOG_TRACE_L2(m_logger, "Equilibrated composition prior to calling base engine is {}", [&qseComposition, &comp]() -> std::string {
std::stringstream ss;
size_t i = 0;
@@ -1095,13 +1094,8 @@ namespace gridfire::engine {
LOG_TRACE_L3(m_logger, "Cache Miss in Multiscale Partitioning Engine View for composition at T9 = {}, rho = {}. Solving QSE abundances...", T9, rho);
// Only solve if the composition and thermodynamic conditions have not been cached yet
fourdst::composition::Composition qseComposition = solveQSEAbundances(comp, T9, rho);
fourdst::composition::Composition qseComposition(solveQSEAbundances(comp, T9, rho));
for (const auto &[sp, y]: qseComposition) {
if (y < 0.0 && std::abs(y) < 1e-20) {
qseComposition.setMolarAbundance(sp, 0.0); // normalize small negative abundances to zero
}
}
m_composition_cache[composite_hash] = qseComposition;
return qseComposition;
@@ -1530,8 +1524,13 @@ namespace gridfire::engine {
fourdst::composition::Composition outputComposition(comp);
std::vector<Species> species;
std::vector<double> abundances;
species.reserve(m_algebraic_species.size());
abundances.reserve(m_algebraic_species.size());
for (const auto& [group, solver]: std::views::zip(m_qse_groups, m_qse_solvers)) {
const fourdst::composition::Composition groupResult = solver->solve(outputComposition, T9, rho);
const fourdst::composition::Composition& groupResult = solver->solve(outputComposition, T9, rho);
for (const auto& [sp, y] : groupResult) {
if (!std::isfinite(y)) {
LOG_CRITICAL(m_logger, "Non-finite abundance {} computed for species {} in QSE group solve at T9 = {}, rho = {}.",
@@ -1539,10 +1538,16 @@ namespace gridfire::engine {
m_logger->flush_log();
throw exceptions::EngineError("Non-finite abundance computed for species " + std::string(sp.name()) + " in QSE group solve.");
}
outputComposition.setMolarAbundance(sp, y);
if (y < 0.0 && std::abs(y) < 1e-20) {
abundances.push_back(0.0);
} else {
abundances.push_back(y);
}
species.emplace_back(sp);
}
solver->log_diagnostics(group, outputComposition);
// solver->log_diagnostics(group, outputComposition);
}
outputComposition.setMolarAbundance(species, abundances);
LOG_TRACE_L2(m_logger, "Done solving for QSE abundances!");
return outputComposition;
}
@@ -1821,7 +1826,7 @@ namespace gridfire::engine {
utils::check_sundials_flag(KINSetMaxSetupCalls(m_kinsol_mem, 20), "KINSetMaxSetupCalls", utils::SUNDIALS_RET_CODE_TYPES::KINSOL);
utils::check_sundials_flag(KINSetFuncNormTol(m_kinsol_mem, 1e-6), "KINSetFuncNormTol", utils::SUNDIALS_RET_CODE_TYPES::KINSOL);
utils::check_sundials_flag(KINSetFuncNormTol(m_kinsol_mem, 1e-8), "KINSetFuncNormTol", utils::SUNDIALS_RET_CODE_TYPES::KINSOL);
utils::check_sundials_flag(KINSetNumMaxIters(m_kinsol_mem, 200), "KINSetNumMaxIters", utils::SUNDIALS_RET_CODE_TYPES::KINSOL);
utils::check_sundials_flag(KINSetScaledStepTol(m_kinsol_mem, 1e-10), "KINSetScaledStepTol", utils::SUNDIALS_RET_CODE_TYPES::KINSOL);
@@ -1899,15 +1904,22 @@ namespace gridfire::engine {
scale_data[i] = 1.0 / Y;
}
auto initial_rhs = m_engine.calculateRHSAndEnergy(result, T9, rho, false);
if (!initial_rhs) {
throw std::runtime_error("In QSE solver failed to calculate initial RHS");
StepDerivatives<double> rhsGuess;
auto cached_rhs = m_engine.getMostRecentRHSCalculation();
if (!cached_rhs) {
const auto initial_rhs = m_engine.calculateRHSAndEnergy(result, T9, rho, false);
if (!initial_rhs) {
throw std::runtime_error("In QSE solver failed to calculate initial RHS for caching");
}
rhsGuess = initial_rhs.value();
} else {
rhsGuess = cached_rhs.value();
}
sunrealtype* f_scale_data = N_VGetArrayPointer(m_f_scale);
for (size_t i = 0; i < m_N; ++i) {
const auto& species = m_species[i];
double dydt = std::abs(initial_rhs.value().dydt.at(species));
double dydt = std::abs(rhsGuess.dydt.at(species));
f_scale_data[i] = 1.0 / (dydt + 1e-15);
}