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some optimizations to normalize_species #3179

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Merged
zingale merged 1 commit into from
Dec 12, 2025
Merged

some optimizations to normalize_species #3179

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33 changes: 15 additions & 18 deletions Source/driver/Castro.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -3143,8 +3143,8 @@ Castro::normalize_species (MultiFab& S_new, int ng)

Real lsmall_x = network_rp::small_x;

ReduceOps<ReduceOpMin, ReduceOpMax> reduce_op;
ReduceData<Real, Real> reduce_data(reduce_op);
ReduceOps<ReduceOpSum> reduce_op;
ReduceData<int> reduce_data(reduce_op);
using ReduceTuple = typename decltype(reduce_data)::Type;

#ifdef AMREX_USE_OMP
Expand All @@ -3160,35 +3160,34 @@ Castro::normalize_species (MultiFab& S_new, int ng)
// then normalize them so that they sum to 1.

reduce_op.eval(bx, reduce_data,
[=] AMREX_GPU_DEVICE (int i, int j, int k) -> ReduceTuple
[=] AMREX_GPU_DEVICE (int i, int j, int k) noexcept -> ReduceTuple
{
Real rhoX_sum = 0.0_rt;
Real rhoInv = 1.0_rt / u(i,j,k,URHO);
Real rho = u(i,j,k,URHO);
Real rhoInv = 1.0_rt / rho;

Real minX = 1.0_rt;
Real maxX = 0.0_rt;
int failed{};

for (int n = 0; n < NumSpec; ++n) {
// Abort if X is unphysically large.
Real X = u(i,j,k,UFS+n) * rhoInv;

// Only do the abort check if the density is greater than a user-defined cutoff.
if (u(i,j,k,URHO) >= castro::abundance_failure_rho_cutoff) {
minX = amrex::min(minX, X);
maxX = amrex::max(maxX, X);

if (rho >= castro::abundance_failure_rho_cutoff) {
if (X < -castro::abundance_failure_tolerance ||
X > 1.0_rt + castro::abundance_failure_tolerance) {
#ifndef AMREX_USE_GPU
std::cout << "(i, j, k) = " << i << " " << j << " " << k << " " << ", X[" << n << "] = " << X << " (density here is: " << u(i,j,k,URHO) << ")" << std::endl;
std::cout << "(i, j, k) = " << i << " " << j << " " << k << " " << ", X[" << n << "] = " << X
<< " (density here is: " << rho << ")" << std::endl;
#elif defined(ALLOW_GPU_PRINTF)
AMREX_DEVICE_PRINTF("(i, j, k) = %d %d %d, X[%d] = %g (density here is: %g)\n",
i, j, k, n, X, u(i,j,k,URHO));
i, j, k, n, X, rho);
#endif
failed = 1;
}
}

u(i,j,k,UFS+n) = amrex::max(lsmall_x * u(i,j,k,URHO), amrex::min(u(i,j,k,URHO), u(i,j,k,UFS+n)));
u(i,j,k,UFS+n) = amrex::Clamp(u(i,j,k,UFS+n), lsmall_x * rho, rho);
rhoX_sum += u(i,j,k,UFS+n);
}

Expand All @@ -3198,16 +3197,14 @@ Castro::normalize_species (MultiFab& S_new, int ng)
u(i,j,k,UFS+n) *= fac;
}

return {minX, maxX};
return {failed};
});
}

ReduceTuple hv = reduce_data.value();
Real minX = amrex::get<0>(hv);
Real maxX = amrex::get<1>(hv);
int num_failed = amrex::get<0>(hv);

if (minX < -castro::abundance_failure_tolerance ||
maxX > 1.0_rt + castro::abundance_failure_tolerance) {
if (num_failed > 0) {
amrex::Error("Invalid mass fraction in Castro::normalize_species()");
}
}
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