diff --git a/nse_solver/nse_check.H b/nse_solver/nse_check.H index d49a564eaa..5d0061d38f 100644 --- a/nse_solver/nse_check.H +++ b/nse_solver/nse_check.H @@ -20,7 +20,9 @@ // First check to see if we're in the ballpark of nse state AMREX_GPU_HOST_DEVICE AMREX_INLINE -void check_nse_molar(burn_t& state, const burn_t& nse_state, bool& nse_check) { +void check_nse_molar(const amrex::Array1D& Y, + const amrex::Array1D& Y_nse, + bool& nse_check) { // This function gives the first estimate whether we're in the nse or not // it checks whether the molar fractions of n,p,a are approximately in NSE @@ -44,13 +46,13 @@ void check_nse_molar(burn_t& state, const burn_t& nse_state, bool& nse_check) { for (int n = 0; n < NumSpec; ++n) { if (n == NSE_INDEX::H1_index || n == NSE_INDEX::N_index) { - r /= state.xn[n] * state.xn[n] * aion_inv[n] * aion_inv[n]; - r_nse /= nse_state.xn[n] * nse_state.xn[n] * aion_inv[n] * aion_inv[n]; + r /= Y(n+1) * Y(n+1); + r_nse /= Y_nse(n+1) * Y_nse(n+1); } else if (n == NSE_INDEX::He4_index) { - r *= state.xn[n] * aion_inv[n]; - r_nse *= nse_state.xn[n] * aion_inv[n]; + r *= Y(n+1); + r_nse *= Y_nse(n+1); } } @@ -59,7 +61,7 @@ void check_nse_molar(burn_t& state, const burn_t& nse_state, bool& nse_check) { // if there is neutron in the network - if ((std::abs(r - r_nse) < 0.5_rt*r_nse) + if ((std::abs(r - r_nse) < 0.5_rt * r_nse) && (NSE_INDEX::N_index != -1)) { nse_check = true; return; @@ -67,7 +69,7 @@ void check_nse_molar(burn_t& state, const burn_t& nse_state, bool& nse_check) { // if there is no neutron in the network - if ((std::abs(r - r_nse) < 0.25_rt*r_nse) + if ((std::abs(r - r_nse) < 0.25_rt * r_nse) && (NSE_INDEX::N_index == -1)) { nse_check = true; return; @@ -76,9 +78,8 @@ void check_nse_molar(burn_t& state, const burn_t& nse_state, bool& nse_check) { // Overall molar fraction check for (int n = 0; n < NumSpec; ++n) { - amrex::Real abs_diff = std::abs(state.xn[n] - nse_state.xn[n]) / aion[n]; - amrex::Real rel_diff = abs_diff / (state.xn[n] / aion[n]); - if (abs_diff > nse_abs_tol && rel_diff > nse_rel_tol) { + amrex::Real abs_diff = std::abs(Y(n+1) - Y_nse(n+1)); + if (abs_diff > nse_abs_tol && abs_diff > nse_rel_tol * Y(n+1)) { return; } } @@ -228,7 +229,7 @@ bool in_single_group(const amrex::Array1D& group_ind) { template AMREX_GPU_HOST_DEVICE AMREX_INLINE void fill_reaction_timescale(amrex::Array1D& reaction_timescales, - const int current_rate_index, const burn_t& state, + const int current_rate_index, const amrex::Real rho, const amrex::Array1D& Y, const amrex::Array1D& screened_rates, const amrex::Real t_s) { @@ -301,14 +302,14 @@ void fill_reaction_timescale(amrex::Array1D& reaction_tim if (NSE_INDEX::rate_indices(current_rate_index, 2) == NSE_INDEX::rate_indices(current_rate_index, 3)) { b_f *= 0.5_rt; } - b_f *= Y(NSE_INDEX::rate_indices(current_rate_index, 2) + 1) * state.rho; + b_f *= Y(NSE_INDEX::rate_indices(current_rate_index, 2) + 1) * rho; } if (NSE_INDEX::rate_indices(current_rate_index, 5) != -1) { if (NSE_INDEX::rate_indices(current_rate_index, 5) == NSE_INDEX::rate_indices(current_rate_index, 6)) { b_r *= 0.5_rt; } - b_r *= Y(NSE_INDEX::rate_indices(current_rate_index, 5) + 1) * state.rho; + b_r *= Y(NSE_INDEX::rate_indices(current_rate_index, 5) + 1) * rho; } // Find the timescale of the rate, See Equation 11 in Kushnir @@ -437,7 +438,7 @@ void fill_merge_indices(amrex::Array1D& merge_indices, AMREX_GPU_HOST_DEVICE AMREX_INLINE -void nse_grouping(amrex::Array1D& group_ind, const burn_t& state, +void nse_grouping(amrex::Array1D& group_ind, const amrex::Real rho, const amrex::Array1D& Y, const amrex::Array1D& screened_rates, const amrex::Real t_s) { @@ -468,7 +469,7 @@ void nse_grouping(amrex::Array1D& group_ind, const burn_t& stat amrex::Array1D rate_indices; for (int n = 1; n <= Rates::NumRates; ++n) { - fill_reaction_timescale(reaction_timescales, n, state, Y, + fill_reaction_timescale(reaction_timescales, n, rho, Y, screened_rates, t_s); rate_indices(n) = n; } @@ -543,19 +544,22 @@ bool in_nse(burn_t& current_state, bool skip_molar_check=false) { const auto nse_state = get_actual_nse_state(current_state); - burn_t state = current_state; + auto state = current_state; + + // Convert to molar fractions + + amrex::Array1D Y; + amrex::Array1D Y_nse; -#ifndef STRANG - // if not strang, store mass fractions for (int n = 0; n < NumSpec; ++n) { - state.xn[n] = current_state.y[SFS+n] / current_state.rho; + Y(n+1) = current_state.y[SFS+n] * aion_inv[n] / current_state.rho; + Y_nse(n+1) = nse_state.xn[n] * aion_inv[n]; } -#endif // Check whether state is in the ballpark of NSE if (!skip_molar_check) { - check_nse_molar(state, nse_state, current_state.nse); + check_nse_molar(Y, Y_nse, current_state.nse); if (!current_state.nse) { return current_state.nse; } @@ -577,23 +581,16 @@ bool in_nse(burn_t& current_state, bool skip_molar_check=false) { // our current mass fractions are in the ballpark of NSE mass fractions. if (nse_molar_independent || skip_molar_check) { - state = nse_state; - state.dx = current_state.dx; -#ifndef STRANG - for (int n = 0; n < NumSpec; ++n) { - state.y[SFS+n] = nse_state.xn[n] * nse_state.rho; + for (int n = 1; n <= NumSpec; ++n) { + Y(n) = Y_nse(n); } -#endif } - // set molar fractions - - amrex::Array1D Y; + // store xn to find the rates - for (int n = 1; n <= NumSpec; ++n) { - Y(n) = state.xn[n-1] * aion_inv[n-1]; + for (int n = 0; n < NumSpec; ++n) { + state.xn[n] = Y(n+1) * aion[n]; } - rate_t rate_eval; constexpr int do_T_derivatives = 0; evaluate_rates(state, rate_eval); @@ -629,7 +626,7 @@ bool in_nse(burn_t& current_state, bool skip_molar_check=false) { // Now do nse grouping - nse_grouping(group_ind, state, Y, rate_eval.screened_rates, t_s); + nse_grouping(group_ind, state.rho, Y, rate_eval.screened_rates, t_s); // Check if we result in a single group after grouping diff --git a/nse_solver/nse_solver.H b/nse_solver/nse_solver.H index 94490b2933..1793c38f6d 100644 --- a/nse_solver/nse_solver.H +++ b/nse_solver/nse_solver.H @@ -51,6 +51,7 @@ T get_nonexponent_nse_state(const T& state) { // the temperature that comes in through T_fixed amrex::Real T_in = state.T_fixed > 0.0_rt ? state.T_fixed : state.T; + constexpr amrex::Real ihplanck2 = 1.0_rt / (C::hplanck * C::hplanck); #ifndef NEW_NETWORK_IMPLEMENTATION auto tfactors = evaluate_tfactors(T_in); @@ -59,7 +60,7 @@ T get_nonexponent_nse_state(const T& state) { for (int n = 0; n < NumSpec; ++n) { #ifdef NEW_NETWORK_IMPLEMENTATION if (n == NSE_INDEX::H1_index) { - nse_state.xn[n] = 0.0; + nse_state.xn[n] = 0.0_rt; continue; } #endif @@ -73,11 +74,11 @@ T get_nonexponent_nse_state(const T& state) { // find nse mass frac without the exponent term. - amrex::Real power = 2.0 * M_PI * network::mion(n+1) * - C::k_B * T_in / (C::hplanck * C::hplanck); + amrex::Real power = 2.0_rt * M_PI * network::mion(n+1) * + C::k_B * T_in * ihplanck2; nse_state.xn[n] = network::mion(n+1) * pf * spin / state.rho * - std::sqrt(power * power * power); + std::sqrt(amrex::Math::powi<3>(power)); } return nse_state; @@ -103,9 +104,9 @@ void compute_coulomb_contribution(amrex::Array1D& u_c, // so we just treat u_c as a constant. // - const amrex::Real n_e = state.rho * state.y_e / C::m_u; + const amrex::Real n_e = state.rho * state.y_e * C::Legacy::n_A; const amrex::Real Gamma_e = C::q_e * C::q_e * - std::cbrt(4.0_rt * M_PI * n_e / 3.0_rt) / (C::k_B * T_in); + std::cbrt(1.333333333333_rt * M_PI * n_e) / (C::k_B * T_in); amrex::Real gamma; for (int n = 0; n < NumSpec; ++n) { @@ -116,7 +117,7 @@ void compute_coulomb_contribution(amrex::Array1D& u_c, #endif // term for calculating u_c - gamma = std::pow(zion[n], 5.0_rt/3.0_rt) * Gamma_e; + gamma = std::cbrt(amrex::Math::powi<5>(zion[n])) * Gamma_e; // chemical potential for coulomb correction // see appendix of Calder 2007, doi:10.1086/510709 for more detail @@ -146,12 +147,13 @@ void apply_nse_exponent(T& nse_state, // the temperature that comes in through T_fixed amrex::Real T_in = nse_state.T_fixed > 0.0_rt ? nse_state.T_fixed : nse_state.T; + amrex::Real ikTMeV = C::Legacy::MeV2erg / (C::k_B * T_in); amrex::Real exponent; for (int n = 0; n < NumSpec; ++n) { #ifdef NEW_NETWORK_IMPLEMENTATION if (n == NSE_INDEX::H1_index) { - nse_state.xn[n] = 0.0; + nse_state.xn[n] = 0.0_rt; continue; } #endif @@ -163,8 +165,8 @@ void apply_nse_exponent(T& nse_state, exponent = amrex::min(500.0_rt, (zion[n] * nse_state.mu_p + (aion[n] - zion[n]) * - nse_state.mu_n + network::bion(n+1)) / - C::k_B / T_in * C::Legacy::MeV2erg - u_c(n+1)); + nse_state.mu_n + network::bion(n+1)) * + ikTMeV - u_c(n+1)); nse_state.xn[n] *= std::exp(exponent); } @@ -210,6 +212,7 @@ void fcn(amrex::Array1D& x, amrex::Array1D } #endif // constraint equation 1, mass fraction sum to 1 + // since we're using rhoX, make it sum to rho fvec(1) += nse_state.xn[n]; } @@ -247,6 +250,7 @@ void jcn(amrex::Array1D& x, amrex::Array2D 0.0_rt ? nse_state.T_fixed : nse_state.T; + amrex::Real ikTMeV = C::Legacy::MeV2erg / (C::k_B * T_in); for (int n = 0; n < NumSpec; ++n) { #ifdef NEW_NETWORK_IMPLEMENTATION @@ -254,10 +258,10 @@ void jcn(amrex::Array1D& x, amrex::Array2D state_data = {state, {0.0_rt}}; @@ -557,6 +559,12 @@ T get_actual_nse_state(T& state, amrex::Real eps=1.0e-10_rt, state.mu_p = state_data.state.mu_p; state.mu_n = state_data.state.mu_n; + // update rhoX in the output nse_state + + for (int n = 0; n < NumSpec; ++n) { + state_data.state.y[SFS+n] = state.rho * state_data.state.xn[n]; + } + return state_data.state; } #endif diff --git a/unit_test/test_ase/GNUmakefile b/unit_test/test_ase/GNUmakefile index 7541c54f5e..40fbba79ce 100644 --- a/unit_test/test_ase/GNUmakefile +++ b/unit_test/test_ase/GNUmakefile @@ -28,10 +28,11 @@ NETWORK_DIR := ase CONDUCTIVITY_DIR := stellar SCREEN_METHOD := chabrier1998 - #SCREEN_METHOD := null #SCREEN_METHOD := chugunov2007 +USE_SIMPLIFIED_SDC = TRUE + INTEGRATOR_DIR = VODE EXTERN_SEARCH += . @@ -40,5 +41,3 @@ Bpack := ./Make.package Blocs := . include $(MICROPHYSICS_HOME)/unit_test/Make.unit_test - - diff --git a/unit_test/test_ase/burn_cell.H b/unit_test/test_ase/burn_cell.H index d9279653a8..196684312c 100644 --- a/unit_test/test_ase/burn_cell.H +++ b/unit_test/test_ase/burn_cell.H @@ -50,12 +50,12 @@ void burn_cell_c() std::cout << short_spec_names_cxx[n] << " : " << NSE_STATE.xn[n] << std::endl; } - // Let state.xn equal to nse_state.xn to make sure its in nse state + // Let state.y equal to nse_state.y to make sure its in nse state + for (int n = 0; n < NumSpec; ++n){ - state.xn[n] = NSE_STATE.xn[n]; + state.y[SFS+n] = NSE_STATE.y[SFS+n]; } - // get eos //eos(eos_input_rt, state); diff --git a/unit_test/test_ase/ci-benchmarks/ase_nse_net_unit_test.out b/unit_test/test_ase/ci-benchmarks/ase_nse_net_unit_test.out index bd6ed56539..18e17a9981 100644 --- a/unit_test/test_ase/ci-benchmarks/ase_nse_net_unit_test.out +++ b/unit_test/test_ase/ci-benchmarks/ase_nse_net_unit_test.out @@ -8,28 +8,28 @@ State Density (g/cm^3): 10000000 State Temperature (K): 6000000000 electron fraction is 0.5 NSE state: -n : 0.0006075693495 -H1 : 0.001992432534 -He4 : 0.519007877 -C12 : 1.326102e-05 -N13 : 9.477376691e-11 -N14 : 2.565486854e-09 -O16 : 3.225455246e-05 -F18 : 5.422064179e-11 -Ne20 : 7.427509432e-07 -Ne21 : 4.998912611e-08 -Na22 : 2.608008186e-09 -Na23 : 1.00884295e-06 -Mg24 : 0.0001022222509 -Al27 : 0.0005548826609 -Si28 : 0.03680966846 -P31 : 0.04229223791 -S32 : 0.03865771985 -Ar36 : 0.02464742443 -Ca40 : 0.02885152622 -Ti44 : 0.00166123105 -Cr48 : 0.009967017598 -Fe52 : 0.05968005236 -Ni56 : 0.2351208159 +n : 0.000607569351 +H1 : 0.001992432526 +He4 : 0.5190078752 +C12 : 1.326101988e-05 +N13 : 9.477376579e-11 +N14 : 2.56548683e-09 +O16 : 3.225455214e-05 +F18 : 5.422064122e-11 +Ne20 : 7.427509352e-07 +Ne21 : 4.99891257e-08 +Na22 : 2.608008157e-09 +Na23 : 1.008842941e-06 +Mg24 : 0.0001022222498 +Al27 : 0.0005548826564 +Si28 : 0.03680966808 +P31 : 0.0422922376 +S32 : 0.0386577195 +Ar36 : 0.02464742425 +Ca40 : 0.0288515261 +Ti44 : 0.001661231048 +Cr48 : 0.009967017622 +Fe52 : 0.05968005276 +Ni56 : 0.2351208186 We're in NSE. AMReX (23.07-395-ge6c93bf22695) finalized diff --git a/unit_test/test_ase/make_table/GNUmakefile b/unit_test/test_ase/make_table/GNUmakefile index b5367446a5..4634728fca 100644 --- a/unit_test/test_ase/make_table/GNUmakefile +++ b/unit_test/test_ase/make_table/GNUmakefile @@ -29,6 +29,8 @@ NETWORK_DIR := ase SCREEN_METHOD := chabrier1998 +USE_SIMPLIFIED_SDC = TRUE + CONDUCTIVITY_DIR := stellar INTEGRATOR_DIR = VODE @@ -39,5 +41,3 @@ Bpack := ./Make.package Blocs := . include $(MICROPHYSICS_HOME)/unit_test/Make.unit_test - - diff --git a/unit_test/test_ase/make_table/burn_cell.H b/unit_test/test_ase/make_table/burn_cell.H index 168ac8cdc7..886338bf59 100644 --- a/unit_test/test_ase/make_table/burn_cell.H +++ b/unit_test/test_ase/make_table/burn_cell.H @@ -33,17 +33,16 @@ void burn_cell_c() amrex::Real T = std::pow(10.0, std::log10(T_min) + itemp * dlogT); amrex::Real rho = std::pow(10.0, std::log10(rho_min) + irho * dlogrho); amrex::Real Ye = Ye_min + iye * dYe; - state.T = T; state.rho = rho; state.y_e = Ye; if (state.y_e > 0.52_rt){ - state.mu_p = -1.0_rt; - state.mu_n = -16.0_rt; + state.mu_p = -4.0_rt; + state.mu_n = -14.0_rt; } else if (state.y_e > 0.48_rt){ - state.mu_p = -6.0_rt; + state.mu_p = -8.0_rt; state.mu_n = -11.0_rt; } else if (state.y_e > 0.4_rt){ @@ -51,8 +50,8 @@ void burn_cell_c() state.mu_n = -7.0_rt; } else{ - state.mu_p = -18.0; - state.mu_n = -1.0; + state.mu_p = -15.0_rt; + state.mu_n = -5.0_rt; } // find the nse state @@ -65,7 +64,7 @@ void burn_cell_c() auto nse_state = get_actual_nse_state(state, eps, assume_ye_is_valid); for (int i = 0; i < NumSpec; ++i){ - state.xn[i] = nse_state.xn[i]; + state.y[SFS+i] = nse_state.y[SFS+i]; } bool in_nse_state = in_nse(state); diff --git a/unit_test/test_ase/make_table/ci-benchmarks/ase_nse_net_make_table_unit_test.out b/unit_test/test_ase/make_table/ci-benchmarks/ase_nse_net_make_table_unit_test.out index 18a8c9846f..7ec0293319 100644 --- a/unit_test/test_ase/make_table/ci-benchmarks/ase_nse_net_make_table_unit_test.out +++ b/unit_test/test_ase/make_table/ci-benchmarks/ase_nse_net_make_table_unit_test.out @@ -2,354 +2,354 @@ Initializing AMReX (23.07-395-ge6c93bf22695)... AMReX (23.07-395-ge6c93bf22695) initialized starting the single zone burn... reading in network electron-capture / beta-decay tables... - 1.0000000000e+06 4.0000000000e+09 0.4000000000 -12.9555025202 -4.7372062842 0 - 1.0000000000e+06 4.4286927156e+09 0.4000000000 -12.4096892933 -5.3017297034 1 - 1.0000000000e+06 4.9033297922e+09 0.4000000000 -11.8124863348 -5.9247157509 1 - 1.0000000000e+06 5.4288352332e+09 0.4000000000 -11.2186398048 -6.5894751704 1 - 1.0000000000e+06 6.0106607628e+09 0.4000000000 -10.8221627699 -7.3603511110 1 + 1.0000000000e+06 4.0000000000e+09 0.4000000000 -12.9555025204 -4.7372062842 0 + 1.0000000000e+06 4.4286927156e+09 0.4000000000 -12.4096892935 -5.3017297034 1 + 1.0000000000e+06 4.9033297922e+09 0.4000000000 -11.8124863350 -5.9247157509 1 + 1.0000000000e+06 5.4288352332e+09 0.4000000000 -11.2186398049 -6.5894751704 1 + 1.0000000000e+06 6.0106607628e+09 0.4000000000 -10.8221627699 -7.3603511111 1 1.0000000000e+06 6.6548423840e+09 0.4000000000 -10.4363763722 -8.2252373664 1 1.0000000000e+06 7.3680629973e+09 0.4000000000 -10.1445056150 -9.0849662772 1 1.0000000000e+06 8.1577217310e+09 0.4000000000 -10.2582950656 -9.7983309243 1 1.0000000000e+06 9.0320107014e+09 0.4000000000 -11.0251962339 -10.7011623998 1 1.0000000000e+06 1.0000000000e+10 0.4000000000 -12.3061952746 -11.9583139126 1 - 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- diff --git a/unit_test/test_nse/ci-benchmarks/aprox21_ci.out b/unit_test/test_nse/ci-benchmarks/aprox21_ci.out index 7f8d29cdc2..bb3bd62e2e 100644 --- a/unit_test/test_nse/ci-benchmarks/aprox21_ci.out +++ b/unit_test/test_nse/ci-benchmarks/aprox21_ci.out @@ -1,7 +1,7 @@ Initializing AMReX (23.07-395-ge6c93bf22695)... AMReX (23.07-395-ge6c93bf22695) initialized starting the single zone burn... -0x7ffee3940620 +0x7ffcbd574c90 State Density (g/cm^3): 277355338.4 State Temperature (K): 5197769252 Mass Fraction (H1): 0.4 @@ -27,28 +27,28 @@ Mass Fraction (n): 0.01111111111 Mass Fraction (p): 0.01111111111 electron fraction is 0.5 After solving: -chemical potential of proton is -5.581982204 -chemical potential of neutron is -12.02475811 +chemical potential of proton is -5.581982209 +chemical potential of neutron is -12.0247581 NSE state: H1 : 0 -He3 : 6.726596474e-12 -He4 : 0.002680193707 -C12 : 2.088656806e-08 -N14 : 3.63235315e-13 -O16 : 8.472971401e-08 -Ne20 : 1.346294741e-09 -Mg24 : 5.59648245e-07 -Si28 : 0.001008039758 -S32 : 0.002046314586 -Ar36 : 0.002091462927 -Ca40 : 0.005238622254 -Ti44 : 0.0001839172999 -Cr48 : 0.002037708693 -Cr56 : 7.745054363e-22 -Fe52 : 0.03983694038 -Fe54 : 0.04496220187 -Fe56 : 1.685809858e-05 -Ni56 : 0.898230601 -n : 9.44170726e-10 -p : 0.001666471828 +He3 : 6.726596351e-12 +He4 : 0.002680193661 +C12 : 2.088656717e-08 +N14 : 3.63235298e-13 +O16 : 8.472970972e-08 +Ne20 : 1.346294667e-09 +Mg24 : 5.596482124e-07 +Si28 : 0.0010080397 +S32 : 0.002046314471 +Ar36 : 0.00209146282 +Ca40 : 0.005238622021 +Ti44 : 0.0001839172934 +Cr48 : 0.002037708642 +Cr56 : 7.745054245e-22 +Fe52 : 0.03983693988 +Fe54 : 0.04496220141 +Fe56 : 1.685809845e-05 +Ni56 : 0.8982306026 +n : 9.441707272e-10 +p : 0.001666471811 AMReX (23.07-395-ge6c93bf22695) finalized diff --git a/unit_test/test_nse/nse_example.H b/unit_test/test_nse/nse_example.H index 78c9b17ff3..5a712485d2 100644 --- a/unit_test/test_nse/nse_example.H +++ b/unit_test/test_nse/nse_example.H @@ -77,7 +77,7 @@ void nse_example_c() std::cout << "NSE state: " << std::endl; for (int n = 0; n < NumSpec; ++n) { - std::cout << short_spec_names_cxx[n] << " : " << NSE_STATE.xn[n] << std::endl; + std::cout << short_spec_names_cxx[n] << " : " << NSE_STATE.xn[n]<< std::endl; } } #endif