Merge pull request #22 from AMReX-Combustion/fix_reactorIssues

Fix behavior of ReactorNull
AMReX-Combustion · Oct 20, 2021 · a03dd80 · a03dd80
2 parents 79947b8 + 734d523
commit a03dd80
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Showing 4 changed files with 20 additions and 18 deletions.
diff --git a/Source/PeleLM.H b/Source/PeleLM.H
@@ -938,6 +938,7 @@ class PeleLM : public amrex::AmrCore {
    int m_use_wbar = 1;
 
    // switch on/off different processes
+   // TODO: actually implement that
    int m_do_react = 1;
    int m_do_diff = 1;
    int m_do_adv = 1;
@@ -992,9 +993,9 @@ class PeleLM : public amrex::AmrCore {
    int m_numDivuIter = 1;
    int m_init_iter = 3;
 
-   // Chem
-   amrex::Real m_rtol_chem = 1.0e-10;
-   amrex::Real m_atol_chem = 1.0e-10;
+   // Chemistry
+   int m_skipInstantRR = 0;
+
 
    // Typical values
    int m_resetTypValInt = 10;

diff --git a/Source/PeleLMEos.cpp b/Source/PeleLMEos.cpp
@@ -65,7 +65,7 @@ void PeleLM::calcDivU(int is_init,
       auto ldata_p = getLevelDataPtr(lev,a_time);
 
       MultiFab RhoYdot;
-      if ( m_do_react ) {
+      if ( m_do_react && !m_skipInstantRR ) {
          if (is_init) {          // Either pre-divU, divU or press initial iterations
             if ( m_dt > 0.0 ) {  // divU ite   -> use I_R
                auto ldataR_p = getLevelDataReactPtr(lev);
@@ -80,7 +80,11 @@ void PeleLM::calcDivU(int is_init,
             // TODO Setup covered cells mask
             MultiFab mask(grids[lev],dmap[lev],1,0);
             mask.setVal(1.0);
+#ifdef PLM_USE_EFIELD
+            computeInstantaneousReactionRateEF(lev, a_time, mask, &RhoYdot);
+#else
             computeInstantaneousReactionRate(lev, a_time, mask, &RhoYdot);
+#endif
          }
       }
 
@@ -110,9 +114,10 @@ void PeleLM::calcDivU(int is_init,
                                                          : diffData->Dnp1[lev].const_array(mfi,NUM_SPECIES);
          auto const& DiffDiff = ( a_time == AmrOldTime ) ? diffData->Dn[lev].const_array(mfi,NUM_SPECIES+1)
                                                          : diffData->Dnp1[lev].const_array(mfi,NUM_SPECIES+1);
-         auto const& r        = (m_do_react) ? RhoYdot.const_array(mfi)
+         auto const& r        = (m_do_react && !m_skipInstantRR) ? RhoYdot.const_array(mfi)
                                              : ldata_p->species.const_array(mfi);   // Dummy unused Array4
          auto const& divu     = ldata_p->divu.array(mfi);
+         int use_react        = (m_do_react && !m_skipInstantRR) ? 1 : 0;
 
 #ifdef AMREX_USE_EB
          if (flagfab.getType(bx) == FabType::covered) {             // Covered boxes
@@ -122,22 +127,22 @@ void PeleLM::calcDivU(int is_init,
                  divu(i,j,k) = 0.0;
              });
          } else if (flagfab.getType(bx) != FabType::regular ) {     // EB containing boxes 
-             amrex::ParallelFor(bx, [ rhoY, T, SpecD, Fourier, DiffDiff, r, divu, do_react=m_do_react, flag]
+             amrex::ParallelFor(bx, [ rhoY, T, SpecD, Fourier, DiffDiff, r, divu, use_react, flag]
              AMREX_GPU_DEVICE (int i, int j, int k) noexcept
              {
                 if ( flag(i,j,k).isCovered() ) {
                     divu(i,j,k) = 0.0;
                 } else {
-                    compute_divu( i, j, k, rhoY, T, SpecD, Fourier, DiffDiff, r, divu, do_react );
+                    compute_divu( i, j, k, rhoY, T, SpecD, Fourier, DiffDiff, r, divu, use_react );
                 }
              });
          } else
 #endif
          {
-             amrex::ParallelFor(bx, [ rhoY, T, SpecD, Fourier, DiffDiff, r, divu, do_react=m_do_react]
+             amrex::ParallelFor(bx, [ rhoY, T, SpecD, Fourier, DiffDiff, r, divu, use_react]
              AMREX_GPU_DEVICE (int i, int j, int k) noexcept
              {
-                compute_divu( i, j, k, rhoY, T, SpecD, Fourier, DiffDiff, r, divu, do_react );
+                compute_divu( i, j, k, rhoY, T, SpecD, Fourier, DiffDiff, r, divu, use_react );
              });
          }
       }

diff --git a/Source/PeleLMReactions.cpp b/Source/PeleLMReactions.cpp
@@ -375,8 +375,6 @@ void PeleLM::advanceChemistry(int lev,
 void PeleLM::computeInstantaneousReactionRate(const Vector<MultiFab*> &I_R,
                                               const TimeStamp &a_time)
 {
-   BL_PROFILE_VAR("PeleLM::computeInstantaneousReactionRate()", computeInstantaneousReactionRate);
-
    for (int lev = 0; lev <= finest_level; ++lev) {
       // TODO EB Setup covered cells mask
       MultiFab mask(grids[lev],dmap[lev],1,0);
@@ -394,6 +392,7 @@ void PeleLM::computeInstantaneousReactionRate(int lev,
                                               const MultiFab &a_mask,
                                               MultiFab* a_I_R)
 {
+   BL_PROFILE("PeleLM::computeInstantaneousReactionRate()");
    auto ldata_p = getLevelDataPtr(lev,a_time);
 
 #ifdef AMREX_USE_EB

diff --git a/Source/PeleLMSetup.cpp b/Source/PeleLMSetup.cpp
@@ -67,11 +67,10 @@ void PeleLM::Setup() {
          ParmParse pp("peleLM");
          pp.query("chem_integrator",m_chem_integrator);
          m_reactor = pele::physics::reactions::ReactorBase::create(m_chem_integrator);
-#ifdef AMREX_USE_OMP
-#pragma omp parallel if (Gpu::notInLaunchRegion())
-#endif
-         {
-            m_reactor->init(reactor_type, ncells_chem);
+         m_reactor->init(reactor_type, ncells_chem);
+         // For ReactorNull, we need to also skip instantaneous RR used in divU
+         if (m_chem_integrator == "ReactorNull") {
+            m_skipInstantRR = 1;
          }
       }
 
@@ -279,8 +278,6 @@ void PeleLM::readParameters() {
    // Reaction
    // -----------------------------------------
    pp.query("do_react",m_do_react);
-   pp.query("chem_rtol",m_rtol_chem);
-   pp.query("chem_atol",m_atol_chem);
    pp.query("use_typ_vals_chem",m_useTypValChem);
    pp.query("typical_values_reset_int",m_resetTypValInt);