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thread lambda through pte #466

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merged 11 commits into from
Feb 13, 2025
Merged

thread lambda through pte #466

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5a5829b
thread lambda through pte
jonahm-LANL Feb 13, 2025
9dbd27e
changelog
jonahm-LANL Feb 13, 2025
c6d8aec
test_pte_ideal now tests ideal electrons and ideal gas
jonahm-LANL Feb 13, 2025
c405d38
fix get_sg_eos_rho_p_bug
jonahm-LANL Feb 13, 2025
2845164
nlambda returns an int
jonahm-LANL Feb 13, 2025
7e0599d
eos_v should be cache[0]
jonahm-LANL Feb 13, 2025
67c5b5a
size_t
jonahm-LANL Feb 13, 2025
7e57e14
CC
jonahm-LANL Feb 13, 2025
26092e3
missed a spot
jonahm-LANL Feb 13, 2025
88f8c29
no structured binding on HIP
jonahm-LANL Feb 13, 2025
59b0034
portable inline
jonahm-LANL Feb 13, 2025
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1 change: 1 addition & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@
- [[PR444]](https://github.com/lanl/singularity-eos/pull/444) Add Z split modifier and electron ideal gas EOS

### Fixed (Repair bugs, etc)
- [[PR466]](https://github.com/lanl/singularity-eos/pull/466) Fully thread lambda inputs through the PTE solver
- [[PR449]](https://github.com/lanl/singularity-eos/pull/449) Ensure that DensityEnergyFromPressureTemperature works for all equations of state and is properly tested
- [[PR439]](https://github.com/lanl/singularity-eos/pull/439) Add mean atomic mass and number to EOS API
- [[PR437]](https://github.com/lanl/singularity-eos/pull/437) Fix segfault on HIP, clean up warnings, add strict sanitizer test
Expand Down
73 changes: 50 additions & 23 deletions singularity-eos/closure/mixed_cell_models.hpp
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Expand Up @@ -478,10 +478,11 @@ class PTESolverBase {

} // namespace mix_impl

template <typename EOSIndexer, typename RealIndexer>
template <typename EOSIndexer, typename RealIndexer, typename LambdaIndexer = NullIndexer>
PORTABLE_INLINE_FUNCTION Real ApproxTemperatureFromRhoMatU(
const std::size_t nmat, EOSIndexer &&eos, const Real u_tot, RealIndexer &&rho,
RealIndexer &&vfrac, const Real Tguess = 0.0) {
RealIndexer &&vfrac, const Real Tguess = 0.0,
LambdaIndexer &&lambda = NullIndexer()) {
// should these be passed in?
constexpr Real minimum_temperature = 1.e-9;
constexpr Real maximum_temperature = 1.e9;
Expand All @@ -493,7 +494,8 @@ PORTABLE_INLINE_FUNCTION Real ApproxTemperatureFromRhoMatU(
auto ufunc = [&](const Real T) {
Real usum = 0.0;
for (std::size_t m = 0; m < nmat; m++) {
usum += rho[m] * vfrac[m] * eos[m].InternalEnergyFromDensityTemperature(rho[m], T);
usum += rho[m] * vfrac[m] *
eos[m].InternalEnergyFromDensityTemperature(rho[m], T, lambda[m]);
}
return usum;
};
Expand Down Expand Up @@ -593,10 +595,15 @@ class PTESolverRhoT : public mix_impl::PTESolverBase<EOSIndexer, RealIndexer> {
dedv = AssignIncrement(scratch, nmat);
dpdT = AssignIncrement(scratch, nmat);
vtemp = AssignIncrement(scratch, nmat);
// TODO(JCD): use whatever lambdas are passed in
/*for (int m = 0; m < nmat; m++) {
if (!variadic_utils::is_nullptr(lambda[m])) Cache[m] = lambda[m];
}*/
// JMM: Copy lambda data into cache. Since the cache uses
// pointers, it must be done this way.
for (std::size_t m = 0; m < nmat; ++m) {
if (!variadic_utils::is_nullptr(lambda[m])) {
for (std::size_t l = 0; l < eos[m].nlambda(); ++l) {
Cache[m][l] = lambda[m][l];
}
}
}
}

PORTABLE_INLINE_FUNCTION
Expand Down Expand Up @@ -819,10 +826,15 @@ class PTESolverPT : public mix_impl::PTESolverBase<EOSIndexer, RealIndexer> {
: mix_impl::PTESolverBase<EOSIndexer, RealIndexer>(nmat, 2, eos, vfrac_tot, sie_tot,
rho, vfrac, sie, temp, press,
scratch, Tnorm, params) {
// TODO(JCD): use whatever lambdas are passed in
/*for (int m = 0; m < nmat; m++) {
if (!variadic_utils::is_nullptr(lambda[m])) Cache[m] = lambda[m];
}*/
// JMM: Copy lambda data into cache. Since the cache uses
// pointers, it must be done this way.
for (std::size_t m = 0; m < nmat; ++m) {
if (!variadic_utils::is_nullptr(lambda[m])) {
for (std::size_t l = 0; l < eos[m].nlambda(); ++l) {
Cache[m][l] = lambda[m][l];
}
}
}
}

PORTABLE_INLINE_FUNCTION
Expand Down Expand Up @@ -1066,10 +1078,15 @@ class PTESolverFixedT : public mix_impl::PTESolverBase<EOSIndexer, RealIndexer>
Tequil = T_true;
Ttemp = T_true;
Tnorm = 1.0;
// TODO(JCD): use whatever lambdas are passed in
/*for (int m = 0; m < nmat; m++) {
if (variadic_utils::is_nullptr(lambda[m])) Cache[m] = lambda[m];
}*/
// JMM: Copy lambda data into cache. Since the cache uses
// pointers, it must be done this way.
for (std::size_t m = 0; m < nmat; ++m) {
if (!variadic_utils::is_nullptr(lambda[m])) {
for (std::size_t l = 0; l < eos[m].nlambda(); ++l) {
Cache[m][l] = lambda[m][l];
}
}
}
}

PORTABLE_INLINE_FUNCTION
Expand Down Expand Up @@ -1275,10 +1292,15 @@ class PTESolverFixedP : public mix_impl::PTESolverBase<EOSIndexer, RealIndexer>
dpdT = AssignIncrement(scratch, nmat);
vtemp = AssignIncrement(scratch, nmat);
Pequil = P;
// TODO(JCD): use whatever lambdas are passed in
/*for (int m = 0; m < nmat; m++) {
if (variadic_utils::is_nullptr(lambda[m])) Cache[m] = lambda[m];
}*/
// JMM: Copy lambda data into cache. Since the cache uses
// pointers, it must be done this way.
for (std::size_t m = 0; m < nmat; ++m) {
if (!variadic_utils::is_nullptr(lambda[m])) {
for (std::size_t l = 0; l < eos[m].nlambda(); ++l) {
Cache[m][l] = lambda[m][l];
}
}
}
}

PORTABLE_INLINE_FUNCTION
Expand Down Expand Up @@ -1514,10 +1536,15 @@ class PTESolverRhoU : public mix_impl::PTESolverBase<EOSIndexer, RealIndexer> {
dtde = AssignIncrement(scratch, nmat);
vtemp = AssignIncrement(scratch, nmat);
utemp = AssignIncrement(scratch, nmat);
// TODO(JCD): use whatever lambdas are passed in
/*for (int m = 0; m < nmat; m++) {
if (variadic_utils::is_nullptr(lambda[m])) Cache[m] = lambda[m];
}*/
// JMM: Copy lambda data into cache. Since the cache uses
// pointers, it must be done this way.
for (std::size_t m = 0; m < nmat; ++m) {
if (!variadic_utils::is_nullptr(lambda[m])) {
for (std::size_t l = 0; l < eos[m].nlambda(); ++l) {
Cache[m][l] = lambda[m][l];
}
}
}
}

PORTABLE_INLINE_FUNCTION
Expand Down
26 changes: 16 additions & 10 deletions test/test_pte_ideal.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -35,13 +35,20 @@
#include <test/eos_unit_test_helpers.hpp>

using singularity::ApproxTemperatureFromRhoMatU;
using singularity::IdealGas;
using singularity::IdealElectrons;
using singularity::MeanAtomicProperties;
using singularity::PTESolverPT;
using singularity::PTESolverPTRequiredScratch;
using singularity::PTESolverRhoT;
using singularity::PTESolverRhoTRequiredScratch;
using singularity::Variant;
using EOS = Variant<IdealGas>;
using EOS = Variant<IdealElectrons>;

struct LambdaIndexer {
Real *operator[](const int i) { return &z; }
const Real *operator[](const int i) const { return &z; }
Real z = 0.9;
};

template <typename RealIndexer, typename EOSIndexer>
PORTABLE_INLINE_FUNCTION Real set_state(Real rho_nom, Real sie_nom, RealIndexer &&rho,
Expand Down Expand Up @@ -78,8 +85,9 @@ SCENARIO("PT space PTE solver for two ideal gases", "[PTESolverPT][IdealGas]") {
EOS_Indexer_t eoss;

for (std::size_t m = 0; m < NEOS; ++m) {
constexpr Real denom = NEOS + 1;
eoss[m] = IdealGas((m + 1) / denom, m + 1);
constexpr Real Abar = NEOS + 1;
MeanAtomicProperties AZBar(Abar, m + 1);
eoss[m] = IdealElectrons(AZBar);
}

WHEN("We create a thermodynamic state") {
Expand Down Expand Up @@ -110,10 +118,8 @@ SCENARIO("PT space PTE solver for two ideal gases", "[PTESolverPT][IdealGas]") {
Real *sies = (Real *)malloc(sizeof(Real) * NEOS);
Real *Ts = (Real *)malloc(sizeof(Real) * NEOS);
Real *Ps = (Real *)malloc(sizeof(Real) * NEOS);
Real *lambda[NEOS];
for (std::size_t i = 0; i < NEOS; i++) {
lambda[i] = nullptr;
}
LambdaIndexer lambda;

Real *scratch_rt = (Real *)malloc(sizeof(Real) * nscratch_rt);
Real *scratch_pt = (Real *)malloc(sizeof(Real) * nscratch_pt);

Expand All @@ -123,8 +129,8 @@ SCENARIO("PT space PTE solver for two ideal gases", "[PTESolverPT][IdealGas]") {
for (std::size_t m = 0; m < NEOS; ++m) {
rho_tot += rhos[m] * vfracs[m];
}
const Real Tguess =
ApproxTemperatureFromRhoMatU(NEOS, eoss, rho_tot * sie_tot, rhos, vfracs);
const Real Tguess = ApproxTemperatureFromRhoMatU(
NEOS, eoss, rho_tot * sie_tot, rhos, vfracs, 0.0, lambda);

auto method_rt = PTESolverRhoT<EOS_Indexer_t, Real *, decltype(lambda)>(
NEOS, eoss, 1.0, sie_tot, rhos, vfracs, sies, Ts, Ps, lambda, scratch_rt,
Expand Down
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