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[WIP] add a normalization only after successful VODE step #1918

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[WIP] add a normalization only after successful VODE step #1918

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5e1de1e
add a normalization only after successful VODE step
zingale Jan 14, 2026
83c6118
Merge branch 'development' into vode_success_normalization
zingale Jan 16, 2026
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25 changes: 25 additions & 0 deletions integration/VODE/vode_dvstep.H
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Original file line number Diff line number Diff line change
Expand Up @@ -223,12 +223,18 @@ int dvstep (BurnT& state, DvodeT& vstate)

#ifdef SDC
if (vstate.y(SEINT+1) < 0.0_rt) {
#ifdef MICROPHYSICS_DEBUG
std::cout << "rejecting due to rho e" << std::endl;
#endif
valid_update = false;
}

amrex::Real rho_current = state.rho_orig + vstate.tn * state.ydot_a[SRHO];

if (rho_current < 0.0_rt) {
#ifdef MICROPHYSICS_DEBUG
std::cout << "rejecting due to rho" << std::endl;
#endif
valid_update = false;
}
#endif
Expand Down Expand Up @@ -294,11 +300,17 @@ int dvstep (BurnT& state, DvodeT& vstate)
}

if (vstate.y(SFS+i) < -species_failure_tolerance * rho_current) {
#ifdef MICROPHYSICS_DEBUG
std::cout << "rejecting step due to negative species " << i << std::endl;
#endif
valid_update = false;
break;
}

if (vstate.y(SFS+i) > (1.0_rt + species_failure_tolerance) * rho_current) {
#ifdef MICROPHYSICS_DEBUG
std::cout << "rejecting step due to large species " << i << std::endl;
#endif
valid_update = false;
break;
}
Expand All @@ -313,6 +325,19 @@ int dvstep (BurnT& state, DvodeT& vstate)
DSM = ACNRM / vstate.tq(2);
if (DSM <= 1.0_rt && valid_update) {

#ifdef SDC
// do normalization if desired
amrex::Real rhoX_sum{};
for (int n = 1; n <= NumSpec; ++n) {
vstate.y(SFS+n) = amrex::Clamp(vstate.y(SFS+n), 0.0, rho_current);
rhoX_sum += vstate.y(SFS+n);
}

amrex::Real fac = rho_current / rhoX_sum;
for (int n = 1; n <= NumSpec; ++n) {
vstate.y(SFS+n) *= fac;
}
#endif
// After a successful step, update the yh and TAU arrays and decrement
// NQWAIT. If NQWAIT is then 1 and NQ .lt. MAXORD, then ACOR is saved
// for use in a possible order increase on the next step.
Expand Down
16 changes: 8 additions & 8 deletions integration/integrator_setup_sdc.H
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Original file line number Diff line number Diff line change
Expand Up @@ -19,9 +19,9 @@ struct state_backup_t {
amrex::Real T_in{};
amrex::Real rhoe_in{};
#ifndef AMREX_USE_GPU
amrex::Real xn_in[NumSpec]{};
amrex::Real rhoxn_in[NumSpec]{};
#ifdef AUX_THERMO
amrex::Real aux_in[NumAux]{};
amrex::Real rhoaux_in[NumAux]{};
#endif
#endif
};
Expand Down Expand Up @@ -115,11 +115,11 @@ state_backup_t integrator_backup (const BurnT& state) {

#ifndef AMREX_USE_GPU
for (int n = 0; n < NumSpec; ++n) {
state_save.xn_in[n] = state.y[SFS+n] / state.y[SRHO];
state_save.rhoxn_in[n] = state.y[SFS+n];
}
#ifdef AUX_THERMO
for (int n = 0; n < NumAux; ++n) {
state_save.aux_in[n] = state.y[SFX+n] / state.y[SRHO];
state_save.rhoaux_in[n] = state.y[SFX+n];
}
#endif
#endif
Expand Down Expand Up @@ -223,14 +223,14 @@ void integrator_cleanup (IntegratorT& int_state, BurnT& state,
std::cout << "dens start = " << std::setprecision(OUTDIGITS) << state.rho_orig << std::endl;
std::cout << "temp start = " << std::setprecision(OUTDIGITS) << state_save.T_in << std::endl;
std::cout << "rhoe start = " << std::setprecision(OUTDIGITS) << state_save.rhoe_in << std::endl;
std::cout << "xn start = ";
for (const auto X : state_save.xn_in) {
std::cout << "rho xn start = ";
for (const auto X : state_save.rhoxn_in) {
std::cout << std::setprecision(OUTDIGITS) << X << " ";
}
std::cout << std::endl;
#ifdef AUX_THERMO
std::cout << "aux start = ";
for (const auto aux : state_save.aux_in) {
std::cout << "rho aux start = ";
for (const auto aux : state_save.rhoaux_in) {
std::cout << std::setprecision(OUTDIGITS) << aux << " ";
}
std::cout << std::endl;
Expand Down
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