Fix the test_react unit test (#397)

AMReX-Astro · Sep 14, 2023 · 4a30297 · 4a30297
1 parent 2d0c580
commit 4a30297
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Showing 13 changed files with 83 additions and 37 deletions.
diff --git a/Exec/unit_tests/test_react/GNUmakefile b/Exec/unit_tests/test_react/GNUmakefile
@@ -8,6 +8,9 @@ USE_REACT  = TRUE
 # define the location of the MAESTROEX home directory
 MAESTROEX_HOME  := ../../..
 
+MAX_ZONES := 4096
+
+DEFINES += -DN_XN_ZONES=$(MAX_ZONES)
 
 # define the physics packages to build this problem
 EOS_DIR := helmholtz

diff --git a/Exec/unit_tests/test_react/MaestroEvolve.cpp b/Exec/unit_tests/test_react/MaestroEvolve.cpp
@@ -7,6 +7,14 @@ using namespace problem_rp;
 
 // advance solution to final time
 void Maestro::Evolve() {
+
+    if (fixed_dt != -1.0) {
+        dt = fixed_dt;
+        if (maestro_verbose > 0) {
+            Print() << "Setting fixed dt = " << dt;
+        }
+    }
+
     Vector<MultiFab> rho_omegadot(finest_level + 1);
     Vector<MultiFab> rho_Hnuc(finest_level + 1);
     Vector<MultiFab> rho_Hext(finest_level + 1);
@@ -60,13 +68,14 @@ void Maestro::Evolve() {
     WritePlotFile(-4, t_new, dt, dummy, dummy, dummy, dummy, rho_omegadot,
                   rho_Hnuc, rho_Hext);
 
-    // Explore ten orders of magnitude of the time domain using user inputs.
+    // Explore orders of magnitude of the time domain using user inputs.
     do_burning = dbo;
     do_heating = dho;
-
+    dt = min_time_step;
     for (auto i = 0; i < react_its; ++i) {
         React(sold, snew, rho_Hext, rho_omegadot, rho_Hnuc, p0_old, dt, t_old);
         WritePlotFile(i, t_new, dt, dummy, dummy, dummy, dummy, rho_omegadot,
                       rho_Hnuc, rho_Hext);
+        dt*=10._rt;
     }
 }
diff --git a/Exec/unit_tests/test_react/MaestroInit.cpp b/Exec/unit_tests/test_react/MaestroInit.cpp
@@ -107,9 +107,43 @@ void Maestro::MakeNewLevelFromScratch(int lev, Real time, const BoxArray& ba,
     const auto temp_min_l = temp_min;
     const auto dens_min_l = dens_min;
 
-    GpuArray<Real, NumSpec> xn_zone;
-    // FIXME: need to allocate the xns here
-
+    //read in composition
+    Array2D<Real, 0, N_XN_ZONES, 0, NumSpec> xn_zone;
+    if (xin_file == "uniform"){
+        for (auto k = 0; k < xn_hi; ++k){
+            for (auto comp = 0; comp < NumSpec; ++comp) {
+                xn_zone(k, comp) = 1./NumSpec;
+            } 
+        }
+    }
+    else {
+        // open the file
+        std::ifstream xn_file_s(xin_file);
+        Print() << " xin file = " << xin_file << std::endl;
+
+        if (!xn_file_s.is_open()) {
+            Abort("Could not open xin file!");
+        }
+
+        // start reading in the data
+        int comp = 0;
+        std::string line;
+        while (std::getline(xn_file_s, line)) {
+            //skip comments w/ nuc name
+            if (line.at(0) != '#'){
+                std::istringstream iss(line);
+                for (auto k = 0; k < xn_hi; ++k) {
+                    iss >> xn_zone(k, comp);
+                }
+                ++comp;
+            } 
+        }
+        xn_file_s.close();
+        if (comp != NumSpec){
+        Abort("Number of species in xinfile does not match number in Network");
+        }
+    }
+
     // Loop over boxes (make sure mfi takes a cell-centered multifab as an argument)
 #ifdef _OPENMP
 #pragma omp parallel
@@ -133,7 +167,7 @@ void Maestro::MakeNewLevelFromScratch(int lev, Real time, const BoxArray& ba,
             eos_state.T = temp_zone;
             eos_state.rho = dens_zone;
             for (auto comp = 0; comp < NumSpec; ++comp) {
-                eos_state.xn[comp] = xn_zone[comp];
+                eos_state.xn[comp] = xn_zone(k, comp);
             }
 
             eos(eos_input_rt, eos_state);
@@ -143,7 +177,7 @@ void Maestro::MakeNewLevelFromScratch(int lev, Real time, const BoxArray& ba,
             scal(i, j, k, RhoH) = dens_zone * eos_state.h;
             scal(i, j, k, Temp) = temp_zone;
             for (auto comp = 0; comp < NumSpec; ++comp) {
-                scal(i, j, k, FirstSpec + comp) = dens_zone * xn_zone[comp];
+                scal(i, j, k, FirstSpec + comp) = dens_zone * xn_zone(k, comp);
             }
         });
     }

diff --git a/Exec/unit_tests/test_react/inputs_3alpha b/Exec/unit_tests/test_react/inputs_3alpha
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_aprox13 b/Exec/unit_tests/test_react/inputs_aprox13
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_ignition b/Exec/unit_tests/test_react/inputs_ignition
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_mesa_carbon b/Exec/unit_tests/test_react/inputs_mesa_carbon
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_reaclib_cburn b/Exec/unit_tests/test_react/inputs_reaclib_cburn
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = true

diff --git a/Exec/unit_tests/test_react/inputs_reaclib_ctest b/Exec/unit_tests/test_react/inputs_reaclib_ctest
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_reaclib_urca b/Exec/unit_tests/test_react/inputs_reaclib_urca
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_react b/Exec/unit_tests/test_react/inputs_react
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_rprox b/Exec/unit_tests/test_react/inputs_rprox
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false

diff --git a/Exec/unit_tests/test_react/inputs_xrb_simple b/Exec/unit_tests/test_react/inputs_xrb_simple
@@ -38,9 +38,9 @@ maestro.hi_bc = 0 0 0
 geometry.is_periodic =  1 1 1
 
 # VERBOSITY
-maestro.v              = 1       # verbosity
-maestro.mg_verbose = 0
-maestro.cg_verbose = 0
+maestro.maestro_verbose = 1       # verbosity
+maestro.mg_verbose      = 0
+maestro.cg_verbose      = 0
 
 # DIFFUSION parameters
 maestro.do_heating = false