extract some common integrator infrastructure (#1515)

Author: zingale

integration/BackwardEuler/actual_integrator.H

@@ -1,198 +1,30 @@
 #ifndef actual_integrator_H
 #define actual_integrator_H
 
-#include <AMReX_Print.H>
-
-#include <iomanip>
-
 #include <network.H>
 #include <burn_type.H>
 
+#include <integrator_data.H>
+#include <integrator_setup_strang.H>
+
 #include <be_type.H>
 #include <be_integrator.H>
 
 template <typename BurnT>
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 void actual_integrator (BurnT& state, const amrex::Real dt, bool is_retry=false)
 {
-    constexpr int int_neqs = integrator_neqs<BurnT>();
-
-    be_t<int_neqs> be;
-
-    // Set the tolerances.
-
-    if (!is_retry) {
-        be.atol_spec = atol_spec;  // mass fractions
-        be.atol_enuc = atol_enuc;  // energy generated
-
-        be.rtol_spec = rtol_spec;  // mass fractions
-        be.rtol_enuc = rtol_enuc;  // energy generated
-    } else {
-        be.atol_spec = retry_atol_spec; // mass fractions
-        be.atol_enuc = retry_atol_enuc; // energy generated
-
-        be.rtol_spec = retry_rtol_spec; // mass fractions
-        be.rtol_enuc = retry_rtol_enuc; // energy generated
-    }
-
-    // set the Jacobian type
-    if (is_retry && integrator_rp::retry_swap_jacobian) {
-        be.jacobian_type = (jacobian == 1) ? 2 : 1;
-    } else {
-        be.jacobian_type = jacobian;
-    }
-
-    // Start off by assuming a successful burn.
-
-    state.success = true;
-
-    // Initialize the integration time.
-
-    be.t = 0.0_rt;
-    be.tout = dt;
-
-    // Initialize ydot to zero for Strang burn.
-
-    for (int n = 0; n < SVAR; ++n) {
-        state.ydot_a[n] = 0;
-    }
-
-    // We assume that (rho, T) coming in are valid, do an EOS call
-    // to fill the rest of the thermodynamic variables.
-
-    eos(eos_input_rt, state);
-
-    // set the scaling for energy if we integrate it dimensionlessly
-    state.e_scale = state.e;
-
-    if (scale_system) {
-        // the absolute tol for energy needs to reflect the scaled
-        // energy the integrator sees
-        be.atol_enuc /= state.e_scale;
-    }
-
-    // Fill in the initial integration state.
-
-    burn_to_integrator(state, be);
 
-    // Save the initial composition, temperature, and energy for our later diagnostics.
-
-#ifndef AMREX_USE_GPU
-    amrex::Real xn_in[NumSpec];
-    for (int n = 0; n < NumSpec; ++n) {
-        xn_in[n] = state.xn[n];
-    }
-    const amrex::Real T_in = state.T;
-#endif
-    const amrex::Real e_in = state.e;
-
-    // Call the integration routine.
-
-    int istate = be_integrator(state, be);
-    state.error_code = istate;
-
-    // Copy the integration data back to the burn state.
-
-    integrator_to_burn(be, state);
-
-#ifdef NSE
-    // compute the temperature based on the energy release -- we need
-    // this in case we failed in our burn here because we entered NSE
-
-#ifdef AUX_THERMO
-    // need to sync the auxiliary data up with the new mass fractions
-    set_aux_comp_from_X(state);
-#endif
-    if (call_eos_in_rhs) {
-        eos(eos_input_re, state);
-    }
-#endif
-
-    // Subtract off the initial energy if the application codes expect
-    // to get back only the generated energy during the burn.
-    if (integrator_rp::subtract_internal_energy) {
-        state.e -= e_in;
-    }
-
-    // Normalize the final abundances.
-
-    if (! integrator_rp::use_number_densities) {
-        normalize_abundances_burn(state);
-    }
-
-    // Get the number of RHS and Jacobian evaluations.
-
-    state.n_rhs = be.n_rhs;
-    state.n_jac = be.n_jac;
-    state.n_step = be.n_step;
-
-    // BE does not always fail even though it can lead to unphysical states.
-    // Add some checks that indicate a burn fail even if VODE thinks the
-    // integration was successful.
-
-    if (istate != IERR_SUCCESS) {
-        state.success = false;
-    }
-
-    for (int n = 1; n <= NumSpec; ++n) {
-        if (be.y(n) < -species_failure_tolerance) {
-            state.success = false;
-        }
+    constexpr int int_neqs = integrator_neqs<BurnT>();
 
-        // Don't enforce a max if we are evolving number densities
+    auto be_state = integrator_setup<BurnT, be_t<int_neqs>>(state, dt, is_retry);
 
-        if (! integrator_rp::use_number_densities) {
-            if (be.y(n) > 1.0_rt + species_failure_tolerance) {
-                state.success = false;
-            }
-        }
-    }
+    auto state_save = integrator_backup(state);
 
-#ifndef AMREX_USE_GPU
-    if (burner_verbose) {
-        // Print out some integration statistics, if desired.
-        std::cout <<  "integration summary: " << std::endl;
-        std::cout <<  "dens: " << state.rho << " temp: " << state.T << std::endl;
-        std::cout <<  "energy released: " << state.e << std::endl;
-        std::cout <<  "number of steps taken: " << state.n_step << std::endl;
-        std::cout <<  "number of f evaluations: " << state.n_rhs << std::endl;
-    }
-#endif
+    auto istate = be_integrator(state, be_state);
 
-    // If we failed, print out the current state of the integration.
+    integrator_cleanup(be_state, state, istate, state_save, dt);
 
-    if (!state.success) {
-        if (istate != IERR_ENTERED_NSE) {
-#ifndef AMREX_USE_GPU
-            std::cout << amrex::Font::Bold << amrex::FGColor::Red << "[ERROR] integration failed in net" << amrex::ResetDisplay << std::endl;
-            std::cout << "istate = " << istate << std::endl;
-            if (istate == IERR_SUCCESS) {
-                std::cout << "  BE exited successfully, but a check on the data values failed" << std::endl;
-            }
-            std::cout << "zone = (" << state.i << ", " << state.j << ", " << state.k << ")" << std::endl;
-            std::cout << "time = " << be.t << std::endl;
-            std::cout << "dt = " << std::setprecision(16) << dt << std::endl;
-            std::cout << "temp start = " << std::setprecision(16) << T_in << std::endl;
-            std::cout << "xn start = ";
-            for (const auto X: xn_in) {
-                std::cout << std::setprecision(16) << X << " ";
-            }
-            std::cout << std::endl;
-            std::cout << "dens current = " << std::setprecision(16) << state.rho << std::endl;
-            std::cout << "temp current = " << std::setprecision(16) << state.T << std::endl;
-            std::cout << "xn current = ";
-            for (const auto X: state.xn) {
-                std::cout << std::setprecision(16) << X << " ";
-            }
-            std::cout << std::endl;
-            std::cout << "energy generated = " << state.e << std::endl;
-#endif
-        } else {
-#ifndef AMREX_USE_GPU
-            std::cout << "burn entered NSE during integration (after " << state.n_step << " steps), zone = (" << state.i << ", " << state.j << ", " << state.k << ")" << std::endl;
-#endif
-        }
-    }
 }
 
 #endif

integration/Make.package

@@ -22,6 +22,7 @@ ifeq ($(USE_ALL_SDC), TRUE)
 else
   CEXE_headers += integrator_type_strang.H
   CEXE_headers += integrator_rhs_strang.H
+  CEXE_headers += integrator_setup_strang.H
 endif
 
 ifeq ($(USE_NSE_TABLE), TRUE)