Emily Boudreaux
d65c237b26
Fortran interface uses the new C api ability to call the naieve multi-zone solver. This allows fortran calling code to make use of in build parellaism for solving multiple zones
377 lines
13 KiB
C++
377 lines
13 KiB
C++
// ReSharper disable CppUnusedIncludeDirective
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#include <iostream>
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#include <fstream>
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#include <chrono>
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#include <thread>
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#include <format>
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#include "gridfire/gridfire.h"
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#include <cppad/utility/thread_alloc.hpp> // Required for parallel_setup
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#include "fourdst/composition/composition.h"
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#include "fourdst/logging/logging.h"
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#include "fourdst/atomic/species.h"
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#include "fourdst/composition/utils.h"
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#include "quill/Logger.h"
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#include "quill/Backend.h"
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#include "CLI/CLI.hpp"
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#include <clocale>
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#include "gridfire/utils/gf_omp.h"
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static std::terminate_handler g_previousHandler = nullptr;
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static std::vector<std::pair<double, std::unordered_map<std::string, std::pair<double, double>>>> g_callbackHistory;
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static bool s_wrote_abundance_history = false;
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void quill_terminate_handler();
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using namespace fourdst::composition;
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Composition rescale(const Composition& comp, double target_X, double target_Z) {
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// 1. Validate inputs
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if (target_X < 0.0 || target_Z < 0.0 || (target_X + target_Z) > 1.0 + 1e-14) {
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throw std::invalid_argument("Target mass fractions X and Z must be non-negative and sum to <= 1.0");
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}
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// Force high precision for the target Y to ensure X+Y+Z = 1.0 exactly in our logic
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long double ld_target_X = static_cast<long double>(target_X);
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long double ld_target_Z = static_cast<long double>(target_Z);
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long double ld_target_Y = 1.0L - ld_target_X - ld_target_Z;
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// Clamp Y to 0 if it dipped slightly below due to precision (e.g. X+Z=1.0000000001)
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if (ld_target_Y < 0.0L) ld_target_Y = 0.0L;
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// 2. Manually calculate current Mass Totals (bypass getCanonicalComposition to avoid crashes)
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long double total_mass_H = 0.0L;
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long double total_mass_He = 0.0L;
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long double total_mass_Z = 0.0L;
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// We need to iterate and identify species types manually
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// Standard definition: H (z=1), He (z=2), Metals (z>2)
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// Note: We use long double accumulators to prevent summation drift
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for (const auto& [spec, molar_abundance] : comp) {
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// Retrieve atomic properties.
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// Note: usage assumes fourdst::atomic::Species has .z() and .mass()
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// consistent with the provided composition.cpp
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int z = spec.z();
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double a = spec.mass();
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long double mass_contribution = static_cast<long double>(molar_abundance) * static_cast<long double>(a);
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if (z == 1) {
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total_mass_H += mass_contribution;
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} else if (z == 2) {
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total_mass_He += mass_contribution;
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} else {
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total_mass_Z += mass_contribution;
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}
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}
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long double total_mass_current = total_mass_H + total_mass_He + total_mass_Z;
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// Edge case: Empty composition
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if (total_mass_current <= 0.0L) {
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// Return empty or throw? If input was empty, return empty.
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if (comp.size() == 0) return comp;
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throw std::runtime_error("Input composition has zero total mass.");
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}
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// 3. Calculate Scaling Factors
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// Factor = (Target_Mass_Fraction / Old_Mass_Fraction)
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// = (Target_Mass_Fraction) / (Old_Group_Mass / Total_Mass)
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// = (Target_Mass_Fraction * Total_Mass) / Old_Group_Mass
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long double scale_H = 0.0L;
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long double scale_He = 0.0L;
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long double scale_Z = 0.0L;
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if (ld_target_X > 1e-16L) {
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if (total_mass_H <= 1e-19L) {
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throw std::runtime_error("Cannot rescale Hydrogen to " + std::to_string(target_X) +
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" because input has no Hydrogen.");
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}
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scale_H = (ld_target_X * total_mass_current) / total_mass_H;
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}
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if (ld_target_Y > 1e-16L) {
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if (total_mass_He <= 1e-19L) {
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throw std::runtime_error("Cannot rescale Helium to " + std::to_string((double)ld_target_Y) +
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" because input has no Helium.");
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}
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scale_He = (ld_target_Y * total_mass_current) / total_mass_He;
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}
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if (ld_target_Z > 1e-16L) {
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if (total_mass_Z <= 1e-19L) {
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throw std::runtime_error("Cannot rescale Metals to " + std::to_string(target_Z) +
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" because input has no Metals.");
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}
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scale_Z = (ld_target_Z * total_mass_current) / total_mass_Z;
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}
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// 4. Apply Scaling and Construct New Vectors
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std::vector<fourdst::atomic::Species> new_species;
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std::vector<double> new_abundances;
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new_species.reserve(comp.size());
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new_abundances.reserve(comp.size());
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for (const auto& [spec, abundance] : comp) {
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new_species.push_back(spec);
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long double factor = 0.0L;
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int z = spec.z();
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if (z == 1) {
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factor = scale_H;
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} else if (z == 2) {
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factor = scale_He;
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} else {
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factor = scale_Z;
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}
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// Calculate new abundance in long double then cast back
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long double new_val_ld = static_cast<long double>(abundance) * factor;
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new_abundances.push_back(static_cast<double>(new_val_ld));
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}
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return Composition(new_species, new_abundances);
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}
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gridfire::NetIn init(const double temp, const double rho, const double tMax) {
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std::setlocale(LC_ALL, "");
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g_previousHandler = std::set_terminate(quill_terminate_handler);
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quill::Logger* logger = fourdst::logging::LogManager::getInstance().getLogger("log");
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logger->set_log_level(quill::LogLevel::Info);
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using namespace gridfire;
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const std::vector<double> X = {0.7081145999999999, 2.94e-5, 0.276, 0.003, 0.0011, 9.62e-3, 1.62e-3, 5.16e-4};
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const std::vector<std::string> symbols = {"H-1", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"};
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const fourdst::composition::Composition composition = fourdst::composition::buildCompositionFromMassFractions(symbols, X);
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NetIn netIn;
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netIn.composition = composition;
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netIn.temperature = temp;
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netIn.density = rho;
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netIn.energy = 0;
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netIn.tMax = tMax;
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netIn.dt0 = 1e-12;
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return netIn;
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}
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void log_results(const gridfire::NetOut& netOut, const gridfire::NetIn& netIn) {
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std::vector<fourdst::atomic::Species> logSpecies = {
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fourdst::atomic::H_1,
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fourdst::atomic::He_3,
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fourdst::atomic::He_4,
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fourdst::atomic::C_12,
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fourdst::atomic::N_14,
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fourdst::atomic::O_16,
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fourdst::atomic::Ne_20,
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fourdst::atomic::Mg_24
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};
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std::vector<double> initial;
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std::vector<double> final;
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std::vector<double> delta;
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std::vector<double> fractional;
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for (const auto& species : logSpecies) {
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double initial_X = netIn.composition.getMassFraction(species);
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double final_X = netOut.composition.getMassFraction(species);
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double delta_X = final_X - initial_X;
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double fractionalChange = (delta_X) / initial_X * 100.0;
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initial.push_back(initial_X);
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final.push_back(final_X);
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delta.push_back(delta_X);
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fractional.push_back(fractionalChange);
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}
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initial.push_back(0.0); // Placeholder for energy
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final.push_back(netOut.energy);
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delta.push_back(netOut.energy);
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fractional.push_back(0.0); // Placeholder for energy
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initial.push_back(0.0);
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final.push_back(netOut.dEps_dT);
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delta.push_back(netOut.dEps_dT);
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fractional.push_back(0.0);
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initial.push_back(0.0);
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final.push_back(netOut.dEps_dRho);
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delta.push_back(netOut.dEps_dRho);
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fractional.push_back(0.0);
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initial.push_back(0.0);
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final.push_back(netOut.specific_neutrino_energy_loss);
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delta.push_back(netOut.specific_neutrino_energy_loss);
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fractional.push_back(0.0);
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initial.push_back(0.0);
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final.push_back(netOut.specific_neutrino_flux);
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delta.push_back(netOut.specific_neutrino_flux);
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fractional.push_back(0.0);
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initial.push_back(netIn.composition.getMeanParticleMass());
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final.push_back(netOut.composition.getMeanParticleMass());
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delta.push_back(final.back() - initial.back());
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fractional.push_back((final.back() - initial.back()) / initial.back() * 100.0);
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std::vector<std::string> rowLabels = [&]() -> std::vector<std::string> {
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std::vector<std::string> labels;
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for (const auto& species : logSpecies) {
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labels.emplace_back(species.name());
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}
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labels.emplace_back("ε");
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labels.emplace_back("dε/dT");
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labels.emplace_back("dε/dρ");
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labels.emplace_back("Eν");
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labels.emplace_back("Fν");
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labels.emplace_back("<μ>");
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return labels;
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}();
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gridfire::utils::Column<std::string> paramCol("Parameter", rowLabels);
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gridfire::utils::Column<double> initialCol("Initial", initial);
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gridfire::utils::Column<double> finalCol ("Final", final);
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gridfire::utils::Column<double> deltaCol ("δ", delta);
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gridfire::utils::Column<double> percentCol("% Change", fractional);
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std::vector<std::unique_ptr<gridfire::utils::ColumnBase>> columns;
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columns.push_back(std::make_unique<gridfire::utils::Column<std::string>>(paramCol));
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columns.push_back(std::make_unique<gridfire::utils::Column<double>>(initialCol));
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columns.push_back(std::make_unique<gridfire::utils::Column<double>>(finalCol));
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columns.push_back(std::make_unique<gridfire::utils::Column<double>>(deltaCol));
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columns.push_back(std::make_unique<gridfire::utils::Column<double>>(percentCol));
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gridfire::utils::print_table("Simulation Results", columns);
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}
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void record_abundance_history_callback(const gridfire::solver::PointSolverTimestepContext& ctx) {
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s_wrote_abundance_history = true;
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const auto& engine = ctx.engine;
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// std::unordered_map<std::string, std::pair<double, double>> abundances;
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std::vector<double> Y;
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for (const auto& species : engine.getNetworkSpecies(ctx.state_ctx)) {
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const size_t sid = engine.getSpeciesIndex(ctx.state_ctx, species);
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double y = N_VGetArrayPointer(ctx.state)[sid];
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Y.push_back(y > 0.0 ? y : 0.0); // Regularize tiny negative abundances to zero
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}
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fourdst::composition::Composition comp(engine.getNetworkSpecies(ctx.state_ctx), Y);
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std::unordered_map<std::string, std::pair<double, double>> abundances;
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for (const auto& sp : comp | std::views::keys) {
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abundances.emplace(std::string(sp.name()), std::make_pair(sp.mass(), comp.getMolarAbundance(sp)));
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}
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g_callbackHistory.emplace_back(ctx.t, abundances);
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}
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void save_callback_data(const std::string_view filename) {
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std::set<std::string> unique_species;
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for (const auto &abundances: g_callbackHistory | std::views::values) {
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for (const auto &species_name: abundances | std::views::keys) {
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unique_species.insert(species_name);
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}
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}
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std::ofstream csvFile(filename.data(), std::ios::out);
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csvFile << "t,";
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size_t i = 0;
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for (const auto& species_name : unique_species) {
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csvFile << species_name;
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if (i < unique_species.size() - 1) {
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csvFile << ",";
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}
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i++;
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}
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csvFile << "\n";
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for (const auto& [time, data] : g_callbackHistory) {
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csvFile << time << ",";
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size_t j = 0;
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for (const auto& species_name : unique_species) {
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if (!data.contains(species_name)) {
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csvFile << "0.0";
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} else {
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csvFile << data.at(species_name).second;
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}
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if (j < unique_species.size() - 1) {
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csvFile << ",";
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}
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++j;
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}
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csvFile << "\n";
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}
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csvFile.close();
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}
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void log_callback_data(const double temp) {
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if (s_wrote_abundance_history) {
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std::cout << "Saving abundance history to abundance_history.csv" << std::endl;
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save_callback_data("abundance_history_" + std::to_string(temp) + ".csv");
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}
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}
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void quill_terminate_handler()
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{
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log_callback_data(1.5e7);
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quill::Backend::stop();
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if (g_previousHandler)
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g_previousHandler();
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else
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std::abort();
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}
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void callback_main(const gridfire::solver::PointSolverTimestepContext& ctx) {
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record_abundance_history_callback(ctx);
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}
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int main(int argc, char** argv) {
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GF_PAR_INIT();
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using namespace gridfire;
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double temp = 1.5e7;
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double rho = 1.5e2;
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double tMax = 3.1536e+16;
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double X = 0.7;
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double Z = 0.02;
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CLI::App app("GridFire Quick CLI Test");
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// Add temp, rho, and tMax as options if desired
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app.add_option("--temp", temp, "Initial Temperature")->default_val(std::format("{:5.2E}", temp));
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app.add_option("--rho", rho, "Initial Density")->default_val(std::format("{:5.2E}", rho));
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app.add_option("--tmax", tMax, "Maximum Time")->default_val(std::format("{:5.2E}", tMax));
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// app.add_option("--X", X, "Target Hydrogen Mass Fraction")->default_val(std::format("{:5.2f}", X));
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// app.add_option("--Z", Z, "Target Metal Mass Fraction")->default_val(std::format("{:5.2f}", Z));
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CLI11_PARSE(app, argc, argv);
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NetIn netIn = init(temp, rho, tMax);
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for (const auto& [sp, y] : netIn.composition) {
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std::println("Species: {}, Abundance: {}", sp.name(), y);
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}
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return 0;
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// netIn.composition = rescale(netIn.composition, X, Z);
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policy::MainSequencePolicy stellarPolicy(netIn.composition);
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auto [engine, ctx_template] = stellarPolicy.construct();
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solver::PointSolverContext solver_context(*ctx_template);
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solver::PointSolver solver(engine);
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NetOut result = solver.evaluate(solver_context, netIn);
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log_results(result, netIn);
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} |