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Gray vs multigroup #5

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Gray vs multigroup #5

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41c4a45
ryan's mean singularity-opac
brryan Dec 18, 2024
acb2cfd
Multiple initialize commands
brryan Dec 18, 2024
86a9111
fix some issues
brryan Dec 18, 2024
a72bded
Sample MG CDF
brryan Dec 18, 2024
da7c6ec
n_nubinsd, emis poison fix, work on transporters
brryan Dec 18, 2024
a4b0491
Fixing little errors
brryan Dec 19, 2024
3ded5a3
Need to fix UpdateDerivedTransportFields
brryan Dec 20, 2024
f9f2a71
multiply Jnu by dnu
brryan Dec 20, 2024
0fc595b
fix cdf integration
brryan Dec 20, 2024
4d38f84
inf example cycles
brryan Dec 20, 2024
3643bc9
Modified inputs... but stepdiff is nan...
brryan Dec 20, 2024
d264ed0
OK stepdiff runs now but the test fails
brryan Dec 20, 2024
57f4fe1
Merge branch 'develop' into brryan/gray_vs_mg
brryan Jan 21, 2025
f026b92
Apply suggestions from code review
RyanWollaeger Jan 21, 2025
8ed3161
Make a few minor updates.
RyanWollaeger Jan 22, 2025
33d68b9
Cancel more exp(log()) occurrences.
RyanWollaeger Jan 22, 2025
5bffda0
Do not divide particle energy weight by frequency.
RyanWollaeger Jan 29, 2025
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5 changes: 2 additions & 3 deletions README.md
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Expand Up @@ -28,7 +28,6 @@ Currently supported computers/partitions are:

## Darwin

power9-rhel7
volta-x86
skylake-gold

Expand Down Expand Up @@ -92,5 +91,5 @@ of `jaybenne`.

# Run driver executable

cd build/src
mpiexec -n 1 ./mcblock -i ../../prob/jbinput.stepdiff
cd build
mpiexec -n 1 ./mcblock -i ../inputs/stepdiff.in
2 changes: 1 addition & 1 deletion external/singularity-opac
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Submodule singularity-opac updated 15 files
+88 −13 README.md
+8 −0 singularity-opac/constants/constants.hpp
+5 −3 singularity-opac/neutrinos/mean_opacity_neutrinos.hpp
+2 −2 singularity-opac/neutrinos/thermal_distributions_neutrinos.hpp
+2 −2 singularity-opac/neutrinos/tophat_emissivity_neutrinos.hpp
+2 −2 singularity-opac/photons/epbremsstrahlung_opacity_photons.hpp
+2 −4 singularity-opac/photons/gray_opacity_photons.hpp
+26 −7 singularity-opac/photons/mean_opacity_photons.hpp
+31 −0 singularity-opac/photons/mean_photon_types.hpp
+22 −0 singularity-opac/photons/mean_photon_variant.hpp
+20 −2 singularity-opac/photons/non_cgs_photons.hpp
+2 −4 singularity-opac/photons/powerlaw_opacity_photons.hpp
+2 −2 singularity-opac/photons/thermal_distributions_photons.hpp
+27 −0 test/test_mean_opacities.cpp
+1 −1 utils/spiner
1 change: 1 addition & 0 deletions inputs/inf.in
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Expand Up @@ -58,6 +58,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = constant
opacity_constant_value = 1.0 # cm^2/g
scattering_model = constant
Expand Down
1 change: 1 addition & 0 deletions inputs/inf_stiff.in
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Expand Up @@ -53,6 +53,7 @@ source_strategy = uniform
seed = 349856

<mcblock>
frequency_type = gray
opacity_model = constant
opacity_constant_value = 1000.0 # cm^2/g
scattering_model = constant
Expand Down
1 change: 1 addition & 0 deletions inputs/stepdiff.in
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Expand Up @@ -65,6 +65,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = none
scattering_model = constant
scattering_constant_value = 1.0e3
Expand Down
1 change: 1 addition & 0 deletions inputs/stepdiff_ddmc.in
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Expand Up @@ -66,6 +66,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = none
scattering_model = constant
scattering_constant_value = 1.0e3
Expand Down
1 change: 1 addition & 0 deletions inputs/stepdiff_smr.in
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Expand Up @@ -75,6 +75,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = none
scattering_model = constant
scattering_constant_value = 1.0e3
Expand Down
1 change: 1 addition & 0 deletions inputs/stepdiff_smr_ddmc.in
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Original file line number Diff line number Diff line change
Expand Up @@ -77,6 +77,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = none
scattering_model = constant
scattering_constant_value = 1.0e3
Expand Down
1 change: 1 addition & 0 deletions inputs/stepdiff_smr_hybrid.in
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Expand Up @@ -76,6 +76,7 @@ source_strategy = uniform
seed = 349857

<mcblock>
frequency_type = gray
opacity_model = none
scattering_model = constant
scattering_constant_value = 1.0e3
Expand Down
6 changes: 6 additions & 0 deletions src/CMakeLists.txt
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Expand Up @@ -31,6 +31,12 @@ if(JAYBENNE_STANDALONE_MODE)
set(JAYBENNE_SCATTERING_OPACITY_TYPE
"mcblock::Scattering"
CACHE STRING "Namespace for scattering opacity Singularity type" FORCE)
set(JAYBENNE_ABSORPTION_MEAN_OPACITY_TYPE
"mcblock::MeanOpacity"
CACHE STRING "Namespace for absorption mean opacity Singularity type" FORCE)
set(JAYBENNE_SCATTERING_MEAN_OPACITY_TYPE
"mcblock::MeanScattering"
CACHE STRING "Namespace for scattering mean opacity Singularity type" FORCE)
set(JAYBENNE_HOST_VARIABLE_HEADER
"../mcblock/mcblock_variables.hpp"
CACHE STRING "Path to host code variables header file" FORCE)
Expand Down
244 changes: 197 additions & 47 deletions src/jaybenne/jaybenne.cpp
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9 changes: 8 additions & 1 deletion src/jaybenne/jaybenne.hpp
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Expand Up @@ -50,17 +50,24 @@ namespace jaybenne {
std::shared_ptr<parthenon::StateDescriptor> Initialize(parthenon::ParameterInput *pin,
Opacity &opacity,
Scattering &scattering, EOS &eos);
std::shared_ptr<parthenon::StateDescriptor> Initialize(parthenon::ParameterInput *pin,
MeanOpacity &mopacity,
MeanScattering &mscattering,
EOS &eos);

// Model enums
enum class SourceStrategy { uniform, energy };
enum class SourceType { thermal, emission };
enum class FrequencyType { gray, multigroup };

// Tasks
template <FrequencyType FT>
TaskStatus TransportPhotons(MeshData<Real> *md, const Real t_start, const Real dt);
template <FrequencyType FT>
TaskStatus TransportPhotons_DDMC(MeshData<Real> *md, const Real t_start, const Real dt);
TaskStatus SampleDDMCBlockFace(MeshData<Real> *md);
TaskStatus CheckCompletion(MeshData<Real> *md, const Real t_end);
template <typename T, SourceType ST>
template <typename T, SourceType ST, FrequencyType FT>
TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt);
TaskStatus DefragParticles(MeshBlock *pmb);
TaskStatus UpdateDerivedTransportFields(MeshData<Real> *md, const Real dt);
Expand Down
2 changes: 2 additions & 0 deletions src/jaybenne/jaybenne_config.hpp.in
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Expand Up @@ -22,6 +22,8 @@
using @JAYBENNE_EOS_TYPE@;
using @JAYBENNE_ABSORPTION_OPACITY_TYPE@;
using @JAYBENNE_SCATTERING_OPACITY_TYPE@;
using @JAYBENNE_ABSORPTION_MEAN_OPACITY_TYPE@;
using @JAYBENNE_SCATTERING_MEAN_OPACITY_TYPE@;

#include "@JAYBENNE_HOST_VARIABLE_HEADER@"

Expand Down
1 change: 1 addition & 0 deletions src/jaybenne/jaybenne_variables.hpp
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Expand Up @@ -37,6 +37,7 @@ JAYBENNE_FIELD_VARIABLE(field.jaybenne, fleck_factor);
JAYBENNE_FIELD_VARIABLE(field.jaybenne, ddmc_face_prob);
JAYBENNE_FIELD_VARIABLE(field.jaybenne, source_ew_per_cell);
JAYBENNE_FIELD_VARIABLE(field.jaybenne, source_num_per_cell);
JAYBENNE_FIELD_VARIABLE(field.jaybenne, emission_cdf);
JAYBENNE_FIELD_VARIABLE(field.jaybenne, energy_delta);
namespace host {
typedef HOST_DENSITY density;
Expand Down
104 changes: 93 additions & 11 deletions src/jaybenne/sourcing.cpp
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Expand Up @@ -22,7 +22,7 @@ namespace jaybenne {
//! \fn TaskStatus SourcePhotons
//! \brief Create photons, either during initialization or during a timestep.
//! TODO(BRR) modify interface so we don't need t_start, dt for initialization
template <typename T, SourceType ST>
template <typename T, SourceType ST, FrequencyType FT>
TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
namespace fj = field::jaybenne;
namespace fjh = field::jaybenne::host;
Expand All @@ -31,8 +31,21 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
auto pm = md->GetParentPointer();
auto &resolved_pkgs = pm->resolved_packages;
auto &jb_pkg = pm->packages.Get("jaybenne");
const Real h = jb_pkg->template Param<Real>("planck_constant");
auto &eos = jb_pkg->template Param<EOS>("eos_d");
auto &opacity = jb_pkg->template Param<Opacity>("opacity_d");
int n_nubins = -1;
Real numin = -1.;
Real numax = -1.;
MeanOpacity mopacity;
Opacity opacity;
if constexpr (FT == FrequencyType::gray) {
mopacity = jb_pkg->template Param<MeanOpacity>("mopacity_d");
} else if constexpr (FT == FrequencyType::multigroup) {
opacity = jb_pkg->template Param<Opacity>("opacity_d");
n_nubins = jb_pkg->template Param<int>("n_nubins");
numin = jb_pkg->template Param<Real>("numin");
numax = jb_pkg->template Param<Real>("numax");
}
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auto &do_emission = jb_pkg->template Param<bool>("do_emission");
auto &source_strategy = jb_pkg->template Param<SourceStrategy>("source_strategy");
PARTHENON_REQUIRE(source_strategy != SourceStrategy::energy,
Expand All @@ -51,7 +64,8 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
// Create pack
static auto desc =
MakePackDescriptor<fjh::density, fjh::sie, fj::fleck_factor, fj::source_ew_per_cell,
fj::source_num_per_cell, fj::energy_delta>(resolved_pkgs.get());
fj::source_num_per_cell, fj::emission_cdf, fj::energy_delta>(
resolved_pkgs.get());
auto vmesh = desc.GetPack(md);

// Indexing and dimensionality
Expand Down Expand Up @@ -87,12 +101,47 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
[[maybe_unused]] const Real &sbd = sb;
[[maybe_unused]] const Real &vvd = vv;
[[maybe_unused]] const Real &dtd = dt;
[[maybe_unused]] auto &opac = opacity;
[[maybe_unused]] auto opac = opacity;
[[maybe_unused]] auto mopac = mopacity;
[[maybe_unused]] const auto numind = numin;
[[maybe_unused]] const auto numaxd = numax;
[[maybe_unused]] const auto n_nubinsd = n_nubins;
Real erad = 0.0;
if constexpr (ST == SourceType::thermal) {
erad = (4.0 * sbd / vvd) * std::pow(temp, 4.0) * dv;
} else if constexpr (ST == SourceType::emission) {
const Real emis = opac.Emissivity(rho, temp);
Real emis = -1.;
if constexpr (FT == FrequencyType::gray) {
emis = mopac.Emissivity(rho, temp);
} else if constexpr (FT == FrequencyType::multigroup) {
// Construct emission CDF
const Real dlnu = (std::log(numaxd) - std::log(numind)) / n_nubinsd;
// this is the mid-point of the 1st group in log-space:
// nu=exp(log(numin) + 0.5*dlnu)
Real nu = numind * std::exp(0.5 * dlnu);
Real dnu = nu * dlnu;
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vmesh(b, fj::emission_cdf(0), k, j, i) =
opac.EmissivityPerNu(rho, temp, numind * std::exp(0.5 * dlnu)) *
dnu;
for (int n = 1; n < n_nubinsd; n++) {
// this is the mid-point of group n in log-space:
// nu=exp(log(numin)+(n+0.5)*dlnu)
nu = numind * std::exp((n + 0.5) * dlnu);
dnu = dlnu * nu;
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vmesh(b, fj::emission_cdf(n), k, j, i) =
opac.EmissivityPerNu(rho, temp, nu) * dnu +
vmesh(b, fj::emission_cdf(n - 1), k, j, i);
}
emis = 0.;
for (int n = 0; n < n_nubinsd; n++) {
const Real dnu = dlnu * numind * std::exp((n + 0.5) * dlnu);
// Get total emissivity
emis += vmesh(b, fj::emission_cdf(n), k, j, i);
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// Normalize emission CDF
vmesh(b, fj::emission_cdf(n), k, j, i) /=
vmesh(b, fj::emission_cdf(n_nubinsd - 1), k, j, i);
}
}
erad = vmesh(b, fj::fleck_factor(), k, j, i) * emis * dv * dtd;
}
// Set source_num_per_cell
Expand Down Expand Up @@ -156,6 +205,10 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
auto rng_gen = rng_pool.get_state();
[[maybe_unused]] const Real &dtd = dt;
[[maybe_unused]] const Real &t_startd = t_start;
[[maybe_unused]] const Real hd = h;
[[maybe_unused]] const Real numaxd = numax;
[[maybe_unused]] const Real numind = numin;
[[maybe_unused]] const int n_nubinsd = n_nubins;

// Starting index and length of particles in this cell
const int &pstart_idx = prefix_sum(b, cell_idx_1d);
Expand All @@ -170,6 +223,9 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
ppack_i(b, ph::ijk(1), n) = j;
ppack_i(b, ph::ijk(2), n) = k;

// Set energy weight
ppack_r(b, ph::weight(), n) = vmesh(b, fj::source_ew_per_cell(), k, j, i);

// Sample position uniformly in space over cell
// TODO(BRR) only valid for Cartesian
ppack_r(b, swarm_position::x(), n) = xi + dx_i * (rng_gen.drand() - 0.5);
Expand All @@ -189,8 +245,21 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
const Real &rho = vmesh(b, fjh::density(), k, j, i);
const Real &sie = vmesh(b, fjh::sie(), k, j, i);
const Real temp = eos.TemperatureFromDensityInternalEnergy(rho, sie);
ppack_r(b, ph::energy(), n) = sample_Planck_energy(rng_gen, sb, temp);
ppack_r(b, ph::weight(), n) = vmesh(b, fj::source_ew_per_cell(), k, j, i);
if constexpr (FT == FrequencyType::gray) {
ppack_r(b, ph::energy(), n) = sample_Planck_energy(rng_gen, sb, temp);
} else if constexpr (FT == FrequencyType::multigroup) {
// Sample energy from CDF
const Real rand = rng_gen.drand();
int n;
for (n = 0; n < n_nubinsd; n++) {
if (vmesh(b, fj::emission_cdf(n), k, j, i) >= rand) {
break;
}
}
const Real dlnu = (std::log(numaxd) - std::log(numind)) / n_nubinsd;
const Real nu = numind * std::exp((n + 0.5) * dlnu);
ppack_r(b, ph::energy(), n) = hd * nu;
}

if constexpr (ST == SourceType::emission) {
dejbn -= ppack_r(b, ph::weight(), n);
Expand All @@ -212,9 +281,22 @@ TaskStatus SourcePhotons(T *md, const Real t_start, const Real dt) {
typedef MeshBlockData<Real> BD;
typedef MeshData<Real> D;
typedef SourceType ST;
template TaskStatus SourcePhotons<BD, ST::thermal>(BD *md, const Real t0, const Real dt);
template TaskStatus SourcePhotons<BD, ST::emission>(BD *md, const Real t0, const Real dt);
template TaskStatus SourcePhotons<D, ST::thermal>(D *md, const Real t0, const Real dt);
template TaskStatus SourcePhotons<D, ST::emission>(D *md, const Real t0, const Real dt);
typedef FrequencyType FT;
template TaskStatus SourcePhotons<BD, ST::thermal, FT::gray>(BD *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<BD, ST::emission, FT::gray>(BD *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<D, ST::thermal, FT::gray>(D *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<D, ST::emission, FT::gray>(D *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<BD, ST::thermal, FT::multigroup>(BD *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<BD, ST::emission, FT::multigroup>(BD *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<D, ST::thermal, FT::multigroup>(D *md, const Real t0,
const Real dt);
template TaskStatus SourcePhotons<D, ST::emission, FT::multigroup>(D *md, const Real t0,
const Real dt);

} // namespace jaybenne
59 changes: 46 additions & 13 deletions src/jaybenne/transport.cpp
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Expand Up @@ -25,6 +25,7 @@ namespace jaybenne {
//----------------------------------------------------------------------------------------
//! \fn TaskStatus TransportPhotons
//! \brief
template <FrequencyType FT>
TaskStatus TransportPhotons(MeshData<Real> *md, const Real t_start, const Real dt) {
namespace fj = field::jaybenne;
namespace fjh = field::jaybenne::host;
Expand All @@ -34,11 +35,26 @@ TaskStatus TransportPhotons(MeshData<Real> *md, const Real t_start, const Real d
auto pm = md->GetParentPointer();
auto &resolved_pkgs = pm->resolved_packages;
auto &jb_pkg = pm->packages.Get("jaybenne");
auto &eos = jb_pkg->Param<EOS>("eos_d");
auto &opacity = jb_pkg->Param<Opacity>("opacity_d");
auto &scattering = jb_pkg->Param<Scattering>("scattering_d");
auto &rng_pool = jb_pkg->Param<RngPool>("rng_pool");
const Real vv = jb_pkg->Param<Real>("speed_of_light");
auto &eos = jb_pkg->template Param<EOS>("eos_d");
Opacity opacity;
Scattering scattering;
MeanOpacity mopacity;
MeanScattering mscattering;
int n_nubins = -1;
Real numin = -1.;
Real numax = -1.;
if constexpr (FT == FrequencyType::gray) {
mopacity = jb_pkg->template Param<MeanOpacity>("mopacity_d");
mscattering = jb_pkg->template Param<MeanScattering>("mscattering_d");
} else if constexpr (FT == FrequencyType::multigroup) {
opacity = jb_pkg->template Param<Opacity>("opacity_d");
scattering = jb_pkg->template Param<Scattering>("scattering_d");
n_nubins = jb_pkg->template Param<int>("n_nubins");
numin = jb_pkg->template Param<Real>("numin");
numax = jb_pkg->template Param<Real>("numax");
}
auto &rng_pool = jb_pkg->template Param<RngPool>("rng_pool");
const Real vv = jb_pkg->template Param<Real>("speed_of_light");

// Create SparsePack
static auto desc =
Expand Down Expand Up @@ -111,20 +127,28 @@ TaskStatus TransportPhotons(MeshData<Real> *md, const Real t_start, const Real d
"Particle initially outside X3 logical bnds!");

// Calculate cell bounds
const Real xl = coords.Xc<parthenon::X1DIR>(ip) - 0.5 * dx_i;
const Real xu = coords.Xc<parthenon::X1DIR>(ip) + 0.5 * dx_i;
const Real yl = coords.Xc<parthenon::X2DIR>(jp) - 0.5 * dx_j;
const Real yu = coords.Xc<parthenon::X2DIR>(jp) + 0.5 * dx_j;
const Real zl = coords.Xc<parthenon::X3DIR>(kp) - 0.5 * dx_k;
const Real zu = coords.Xc<parthenon::X3DIR>(kp) + 0.5 * dx_k;
const Real xl = coords.template Xc<parthenon::X1DIR>(ip) - 0.5 * dx_i;
const Real xu = coords.template Xc<parthenon::X1DIR>(ip) + 0.5 * dx_i;
const Real yl = coords.template Xc<parthenon::X2DIR>(jp) - 0.5 * dx_j;
const Real yu = coords.template Xc<parthenon::X2DIR>(jp) + 0.5 * dx_j;
const Real zl = coords.template Xc<parthenon::X3DIR>(kp) - 0.5 * dx_k;
const Real zu = coords.template Xc<parthenon::X3DIR>(kp) + 0.5 * dx_k;

// Extract physical quantities
const Real &rho = vmesh(b, fjh::density(), kp, jp, ip);
const Real &sie = vmesh(b, fjh::sie(), kp, jp, ip);
const Real temp = eos.TemperatureFromDensityInternalEnergy(rho, sie);
const Real &ff = vmesh(b, fj::fleck_factor(), kp, jp, ip);
const Real ss = scattering.TotalScatteringCoefficient(rho, temp, ee);
const Real aa = opacity.AbsorptionCoefficient(rho, temp, ee);
Real ss;
Real aa;
if constexpr (FT == FrequencyType::gray) {
// TODO: use TotalScatteringCoefficient(rho, temp), when available
ss = mscattering.RosselandMeanTotalScatteringCoefficient(rho, temp);
aa = mopacity.AbsorptionCoefficient(rho, temp);
} else if constexpr (FT == FrequencyType::multigroup) {
ss = scattering.TotalScatteringCoefficient(rho, temp, ee);
aa = opacity.AbsorptionCoefficient(rho, temp, ee);
}

// reset collision indicators
bool is_absorbed = false;
Expand Down Expand Up @@ -215,4 +239,13 @@ TaskStatus CheckCompletion(MeshData<Real> *md, const Real t_end) {
}
}

//----------------------------------------------------------------------------------------
//! template instantiations
template TaskStatus TransportPhotons<FrequencyType::gray>(MeshData<Real> *md,
const Real t_start,
const Real dt);
template TaskStatus TransportPhotons<FrequencyType::multigroup>(MeshData<Real> *md,
const Real t_start,
const Real dt);

} // namespace jaybenne
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