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radfield.cc
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#include "radfield.h"
#include <gsl/gsl_errno.h>
#include <gsl/gsl_integration.h>
#include <gsl/gsl_math.h>
#include <gsl/gsl_roots.h>
#include <gsl/gsl_sf_debye.h>
#include <mpi.h>
#include <algorithm>
#include <cmath>
#include <cstddef>
#include <cstdio>
#include <cstdlib>
#include <ctime>
#include <span>
#include <tuple>
#include <vector>
#include "artisoptions.h"
#include "atomic.h"
#include "constants.h"
#include "globals.h"
#include "grid.h"
#include "ratecoeff.h"
#include "rpkt.h"
#include "sn3d.h"
namespace radfield {
namespace {
std::vector<double> J_normfactor;
struct RadFieldBinSolution {
// these two parameters are used in the current timestep, but were calculated
// from the values of J and nuJ in the previous timestep
float W; // dilution (scaling) factor
float T_R; // radiation temperature
};
struct RadFieldBin {
double J_raw; // value needs to be multiplied by J_normfactor to get the true value
double nuJ_raw;
int contribcount;
};
constexpr double radfieldbins_delta_nu =
(nu_upper_last_initial - nu_lower_first_initial) / (RADFIELDBINCOUNT - 1); // - 1 for the top super bin
RadFieldBin *radfieldbins{};
RadFieldBinSolution *radfieldbin_solutions{};
MPI_Win win_radfieldbin_solutions = MPI_WIN_NULL;
MPI_Win win_prev_bfrate_normed = MPI_WIN_NULL;
struct Jb_lu_estimator {
double value = 0.;
int contribcount = 0;
};
int detailed_linecount = 0;
// array of indices into the linelist[] array for selected lines
std::vector<int> detailed_lineindicies;
std::vector<std::vector<Jb_lu_estimator>> prev_Jb_lu_normed{}; // value from the previous timestep
std::vector<std::vector<Jb_lu_estimator>> Jb_lu_raw{}; // unnormalised estimator for the current timestep
std::span<float> prev_bfrate_normed{}; // values from the previous timestep
std::vector<double> bfrate_raw; // unnormalised estimators for the current timestep
// J and nuJ are accumulated and then normalised in-place
// i.e. be sure the normalisation has been applied (exactly once) before using the values here!
std::vector<double> J; // after normalisation: [ergs/s/sr/cm2/Hz]
#ifdef DO_TITER
std::vector<double> J_reduced_save;
#endif
std::vector<double> nuJ; // after normalisation: [ergs/s/sr/cm2]
#ifdef DO_TITER
std::vector<double> nuJ_reduced_save;
#endif
struct gsl_planck_integral_paras {
double T_R;
bool times_nu;
};
struct GSLT_RSolverParams {
int nonemptymgi;
int binindex;
};
FILE *radfieldfile{};
constexpr auto get_bin_nu_upper(const int binindex) -> double {
assert_testmodeonly(binindex < RADFIELDBINCOUNT);
if (binindex == RADFIELDBINCOUNT - 1) {
return nu_upper_superbin;
}
return nu_lower_first_initial + ((binindex + 1) * radfieldbins_delta_nu);
}
constexpr auto get_bin_nu_lower(const int binindex) -> double {
if (binindex > 0) {
return get_bin_nu_upper(binindex - 1);
}
return nu_lower_first_initial;
}
// find the left-closed bin [nu_lower, nu_upper) that nu belongs to
constexpr auto select_bin(const double nu) -> int {
if (nu < nu_lower_first_initial) {
return -2; // out of range, nu lower than lowest bin's lower boundary
}
if (nu >= nu_upper_superbin) {
// out of range, nu higher than highest bin's upper boundary
return -1;
}
if (nu >= nu_upper_last_initial) {
// in the superbin. separate case because the delta_nu is different to the other bins
return RADFIELDBINCOUNT - 1;
}
const int binindex = static_cast<int>((nu - nu_lower_first_initial) / radfieldbins_delta_nu);
if (nu == get_bin_nu_upper(binindex)) {
// exactly on the upper boundary of the bin, so add 1 to ensure we get the left-closed bin
return binindex + 1;
}
return binindex;
}
// associate a Jb_lu estimator with a particular lineindex to be used
// instead of the general radiation field model
void add_detailed_line(const int lineindex) {
detailed_linecount++;
for (int nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
prev_Jb_lu_normed[nonemptymgi].push_back({.value = 0, .contribcount = 0});
assert_always(detailed_linecount == std::ssize(prev_Jb_lu_normed[nonemptymgi]));
// zero_estimators should do the next part anyway, but just to be sure:
Jb_lu_raw[nonemptymgi].push_back({.value = 0, .contribcount = 0});
assert_always(detailed_linecount == std::ssize(Jb_lu_raw[nonemptymgi]));
}
detailed_lineindicies.push_back(lineindex);
assert_always(detailed_linecount == std::ssize(detailed_lineindicies));
}
// get the normalised J value for a bin
auto get_bin_J(const int nonemptymgi, const int binindex) -> double {
assert_testmodeonly(J_normfactor[nonemptymgi] > 0.0);
assert_testmodeonly(binindex >= 0);
assert_testmodeonly(binindex < RADFIELDBINCOUNT);
return radfieldbins[(static_cast<ptrdiff_t>(nonemptymgi) * RADFIELDBINCOUNT) + binindex].J_raw *
J_normfactor[nonemptymgi];
}
// get the normalised nuJ value for a bin
auto get_bin_nuJ(const int nonemptymgi, const int binindex) -> double {
assert_testmodeonly(J_normfactor[nonemptymgi] > 0.0);
assert_testmodeonly(binindex >= 0);
assert_testmodeonly(binindex < RADFIELDBINCOUNT);
return radfieldbins[(static_cast<ptrdiff_t>(nonemptymgi) * RADFIELDBINCOUNT) + binindex].nuJ_raw *
J_normfactor[nonemptymgi];
}
// get <nuJ> / <J> for a bin
auto get_bin_nu_bar(const int nonemptymgi, const int binindex) -> double {
const double nuJ_sum = get_bin_nuJ(nonemptymgi, binindex);
const double J_sum = get_bin_J(nonemptymgi, binindex);
return nuJ_sum / J_sum;
}
auto get_bin_contribcount(const int nonemptymgi, const int binindex) -> int {
return radfieldbins[(nonemptymgi * RADFIELDBINCOUNT) + binindex].contribcount;
}
auto get_bin_W(const int nonemptymgi, const int binindex) -> float {
return radfieldbin_solutions[(nonemptymgi * RADFIELDBINCOUNT) + binindex].W;
}
auto get_bin_T_R(const int nonemptymgi, const int binindex) -> float {
return radfieldbin_solutions[(nonemptymgi * RADFIELDBINCOUNT) + binindex].T_R;
}
constexpr auto gsl_integrand_planck(const double nu, void *voidparas) -> double {
const auto *paras = static_cast<gsl_planck_integral_paras *>(voidparas);
const auto T_R = paras->T_R;
double integrand = TWOHOVERCLIGHTSQUARED * std::pow(nu, 3) / (std::expm1(HOVERKB * nu / T_R));
if (paras->times_nu) {
integrand *= nu;
}
return integrand;
}
void update_bfestimators(const int nonemptymgi, const double distance_e_cmf, const double nu_cmf,
const double doppler_nucmf_on_nurf, const Phixslist &phixslist) {
assert_testmodeonly(DETAILED_BF_ESTIMATORS_ON);
const double distance_e_cmf_over_nu =
distance_e_cmf / nu_cmf * doppler_nucmf_on_nurf; // TODO: Luke: why did I put a doppler factor here?
// I think the nu_cmf slightly differs from when the phixslist was calculated
// so the nu condition on this nu_cmf can truncate the list further compared to what was used in the calculation
// of phixslist.gamma_contr
const auto bfestimcount = globals::bfestimcount;
assert_testmodeonly(phixslist.bfestimend <= bfestimcount);
const auto bfestimend = std::upper_bound(globals::bfestim_nu_edge.data(),
globals::bfestim_nu_edge.data() + phixslist.bfestimend, nu_cmf) -
globals::bfestim_nu_edge.data();
assert_testmodeonly(bfestimend <= bfestimcount);
assert_testmodeonly(phixslist.bfestimbegin >= 0);
const auto bfestimbegin = std::lower_bound(globals::bfestim_nu_edge.data() + phixslist.bfestimbegin,
globals::bfestim_nu_edge.data() + bfestimend, nu_cmf,
[](const double nu_edge, const double find_nu_cmf) {
return nu_edge * last_phixs_nuovernuedge < find_nu_cmf;
}) -
globals::bfestim_nu_edge.data();
for (auto bfestimindex = bfestimbegin; bfestimindex < bfestimend; bfestimindex++) {
atomicadd(bfrate_raw[(nonemptymgi * bfestimcount) + bfestimindex],
phixslist.gamma_contr[bfestimindex] * distance_e_cmf_over_nu);
}
}
auto planck_integral(const double T_R, const double nu_lower, const double nu_upper, const bool times_nu) -> double {
double integral = 0.;
double error = 0.;
const double epsrel = 1e-10;
const double epsabs = 0.;
const gsl_planck_integral_paras intparas = {.T_R = T_R, .times_nu = times_nu};
#if !USE_SIMPSON_INTEGRATOR
gsl_error_handler_t *previous_handler = gsl_set_error_handler(gsl_error_handler_printout);
#endif
const int status = integrator<gsl_integrand_planck>(intparas, nu_lower, nu_upper, epsabs, epsrel, GSL_INTEG_GAUSS61,
&integral, &error);
if (status != 0) {
printout("planck_integral integrator status %d, GSL_FAILURE= %d. Integral value %g, setting to zero.\n", status,
GSL_FAILURE, integral);
integral = 0.;
}
#if !USE_SIMPSON_INTEGRATOR
gsl_set_error_handler(previous_handler);
#endif
return integral;
}
// difference between the average nu and the average nu of a Planck function
// at temperature T_R, in the frequency range corresponding to a bin
auto delta_nu_bar(const double T_R, void *const paras) -> double {
const auto *params = static_cast<const GSLT_RSolverParams *>(paras);
const auto nonemptymgi = params->nonemptymgi;
const int binindex = params->binindex;
const double nu_lower = get_bin_nu_lower(binindex);
const double nu_upper = get_bin_nu_upper(binindex);
const double nu_bar_estimator = get_bin_nu_bar(nonemptymgi, binindex);
const double nu_times_planck_numerical = planck_integral(T_R, nu_lower, nu_upper, true);
const double planck_integral_numerical = planck_integral(T_R, nu_lower, nu_upper, false);
const double nu_bar_planck_T_R = nu_times_planck_numerical / planck_integral_numerical;
// double nu_times_planck_integral = planck_integral_analytic(T_R, nu_lower, nu_upper, true);
// double planck_integral_result = planck_integral_analytic(T_R, nu_lower, nu_upper, false);
// double nu_bar_planck = nu_times_planck_integral / planck_integral_result;
// // printout("nu_bar %g nu_bar_planck(T=%g) %g\n",nu_bar,T_R,nu_bar_planck);
// if (!std::isfinite(nu_bar_planck)) {
// double nu_times_planck_numerical = planck_integral(T_R, nu_lower, nu_upper, true);
// double planck_integral_numerical = planck_integral(T_R, nu_lower, nu_upper, false);
// double nu_bar_planck_numerical = nu_times_planck_numerical / planck_integral_numerical;
// printout("planck_integral_analytic is %g. Replacing with numerical result of %g.\n", nu_bar_planck,
// nu_bar_planck_numerical);
// nu_bar_planck = nu_bar_planck_numerical;
// }
const double delta_nu_bar = nu_bar_planck_T_R - nu_bar_estimator;
if (!std::isfinite(delta_nu_bar)) {
printout(
"delta_nu_bar is %g. nu_bar_planck_T_R %g nu_times_planck_numerical %g planck_integral_numerical %g "
"nu_bar_estimator %g\n",
delta_nu_bar, nu_bar_planck_T_R, nu_times_planck_numerical, planck_integral_numerical, nu_bar_estimator);
}
return delta_nu_bar;
}
auto find_T_R(const int nonemptymgi, const int binindex) -> float {
double T_R = 0.;
GSLT_RSolverParams paras{};
paras.nonemptymgi = nonemptymgi;
paras.binindex = binindex;
// Check whether the equation has a root in [T_min,T_max]
double delta_nu_bar_min = delta_nu_bar(T_R_min, ¶s);
double delta_nu_bar_max = delta_nu_bar(T_R_max, ¶s);
// printout("find_T_R: bin %4d delta_nu_bar(T_R_min) %g, delta_nu_bar(T_R_max) %g\n",
// binindex, delta_nu_bar_min,delta_nu_bar_max);
if (!std::isfinite(delta_nu_bar_min) || !std::isfinite(delta_nu_bar_max)) {
delta_nu_bar_max = delta_nu_bar_min = -1;
}
if (delta_nu_bar_min * delta_nu_bar_max < 0) {
// If there is a root in the interval, solve for T_R
const double epsrel = 1e-4;
const double epsabs = 0.;
const int maxit = 100;
gsl_function find_T_R_f = {.function = &delta_nu_bar, .params = ¶s};
// one dimensional gsl root solver, bracketing type
gsl_root_fsolver *T_R_solver = gsl_root_fsolver_alloc(gsl_root_fsolver_brent);
gsl_root_fsolver_set(T_R_solver, &find_T_R_f, T_R_min, T_R_max);
int status = 0;
for (int iteration_num = 0; iteration_num <= maxit; iteration_num++) {
gsl_root_fsolver_iterate(T_R_solver);
T_R = gsl_root_fsolver_root(T_R_solver);
const double T_R_lower = gsl_root_fsolver_x_lower(T_R_solver);
const double T_R_upper = gsl_root_fsolver_x_upper(T_R_solver);
status = gsl_root_test_interval(T_R_lower, T_R_upper, epsabs, epsrel);
// printout("find_T_R: bin %4d iter %d, T_R is between %7.1f and %7.1f, guess %7.1f, delta_nu_bar %g, status
// %d\n",
// binindex,iteration_num,T_R_lower,T_R_upper,T_R,delta_nu_bar(T_R,¶s),status);
if (status != GSL_CONTINUE) {
break;
}
}
if (status == GSL_CONTINUE) {
printout("[warning] find_T_R: T_R did not converge within %d iterations\n", maxit);
}
gsl_root_fsolver_free(T_R_solver);
} else if (delta_nu_bar_max < 0) {
// Thermal balance equation always negative ===> T_R = T_min
// Calculate the rates again at this T_e to print them to file
printout("find_T_R: cell %d bin %4d no solution in interval, clamping to T_R_max=%g\n",
grid::get_mgi_of_nonemptymgi(nonemptymgi), binindex, T_R_max);
T_R = T_R_max;
} else {
printout("find_T_R: cell %d bin %4d no solution in interval, clamping to T_R_min=%g\n",
grid::get_mgi_of_nonemptymgi(nonemptymgi), binindex, T_R_min);
T_R = T_R_min;
}
return T_R;
} // namespace radfield
void set_params_fullspec(const int nonemptymgi, const int timestep) {
const auto modelgridindex = grid::get_mgi_of_nonemptymgi(nonemptymgi);
const double nubar = nuJ[nonemptymgi] / J[nonemptymgi];
if (!std::isfinite(nubar) || nubar == 0.) {
printout("[warning] T_R estimator infinite in cell %d, keep T_R, T_J, W of last timestep. J = %g. nuJ = %g\n",
modelgridindex, J[nonemptymgi], nuJ[nonemptymgi]);
} else {
float T_J = pow(J[nonemptymgi] * PI / STEBO, 1 / 4.);
if (T_J > MAXTEMP) {
printout("[warning] temperature estimator T_J = %g exceeds T_max %g in cell %d. Setting T_J = T_max!\n", T_J,
MAXTEMP, modelgridindex);
T_J = MAXTEMP;
} else if (T_J < MINTEMP) {
printout("[warning] temperature estimator T_J = %g below T_min %g in cell %d. Setting T_J = T_min!\n", T_J,
MINTEMP, modelgridindex);
T_J = MINTEMP;
}
grid::set_TJ(nonemptymgi, T_J);
float T_R = H * nubar / KB / 3.832229494;
if (T_R > MAXTEMP) {
printout("[warning] temperature estimator T_R = %g exceeds T_max %g in cell %d. Setting T_R = T_max!\n", T_R,
MAXTEMP, modelgridindex);
T_R = MAXTEMP;
} else if (T_R < MINTEMP) {
printout("[warning] temperature estimator T_R = %g below T_min %g in cell %d. Setting T_R = T_min!\n", T_R,
MINTEMP, modelgridindex);
T_R = MINTEMP;
}
grid::set_TR(nonemptymgi, T_R);
const float W = J[nonemptymgi] * PI / STEBO / pow(T_R, 4);
grid::set_W(nonemptymgi, W);
printout(
"Full-spectrum fit radfield for cell %d at timestep %d: J %g, nubar %5.1f Angstrom, T_J %g, T_R %g, W %g\n",
modelgridindex, timestep, J[nonemptymgi], 1e8 * CLIGHT / nubar, T_J, T_R, W);
}
}
auto get_bfcontindex(const int element, const int lowerion, const int lower, const int phixstargetindex) -> int {
// simple linear search seems to be faster than the binary search
// possibly because lower frequency transitions near start of list are more likely to be called?
const auto bfcontindex = static_cast<int>(std::find_if(globals::allcont, globals::allcont + globals::nbfcontinua,
[=](const auto &bf) {
return (bf.element == element) && (bf.ion == lowerion) &&
(bf.level == lower) &&
(bf.phixstargetindex == phixstargetindex);
}) -
globals::allcont);
if (bfcontindex < globals::nbfcontinua) {
return bfcontindex;
}
// not found in the continua list
return -1;
}
void write_to_file(const int nonemptymgi, const int timestep) {
assert_always(MULTIBIN_RADFIELD_MODEL_ON);
const int modelgridindex = grid::get_mgi_of_nonemptymgi(nonemptymgi);
#ifdef _OPENMP
#pragma omp critical(out_file)
{
#endif
int totalcontribs = 0;
for (int binindex = 0; binindex < RADFIELDBINCOUNT; binindex++) {
totalcontribs += get_bin_contribcount(nonemptymgi, binindex);
}
for (int binindex = -1 - detailed_linecount; binindex < RADFIELDBINCOUNT; binindex++) {
double nu_lower = 0.;
double nu_upper = 0.;
double nuJ_out = 0.;
double J_out = 0.;
float T_R = 0.;
float W = 0.;
double J_nu_bar = 0.;
int contribcount = 0;
const bool skipoutput = false;
if (binindex >= 0) {
nu_lower = get_bin_nu_lower(binindex);
nu_upper = get_bin_nu_upper(binindex);
nuJ_out = get_bin_nuJ(nonemptymgi, binindex);
J_out = get_bin_J(nonemptymgi, binindex);
T_R = get_bin_T_R(nonemptymgi, binindex);
W = get_bin_W(nonemptymgi, binindex);
J_nu_bar = J_out / (nu_upper - nu_lower);
contribcount = get_bin_contribcount(nonemptymgi, binindex);
} else if (binindex == -1) { // bin -1 is the full spectrum fit
nuJ_out = nuJ[nonemptymgi];
J_out = J[nonemptymgi];
T_R = grid::get_TR(nonemptymgi);
W = grid::get_W(nonemptymgi);
contribcount = totalcontribs;
} else // use binindex < -1 for detailed line Jb_lu estimators
{
const int jblueindex = -2 - binindex; // -2 is the first detailed line, -3 is the second, etc
const int lineindex = detailed_lineindicies[jblueindex];
const double nu_trans = globals::linelist[lineindex].nu;
nu_lower = nu_trans;
nu_upper = nu_trans;
nuJ_out = -1.;
J_out = -1.;
T_R = -1.;
W = -1.;
J_nu_bar = prev_Jb_lu_normed[nonemptymgi][jblueindex].value,
contribcount = prev_Jb_lu_normed[nonemptymgi][jblueindex].contribcount;
}
if (!skipoutput) {
fprintf(radfieldfile, "%d %d %d %.5e %.5e %.3e %.3e %.3e %d %.1f %.5e\n", timestep, modelgridindex, binindex,
nu_lower, nu_upper, nuJ_out, J_out, J_nu_bar, contribcount, T_R, W);
}
}
fflush(radfieldfile);
#ifdef _OPENMP
}
#endif
}
} // anonymous namespace
void init(const int my_rank, const int ndo_nonempty) {
// this should be called only after the atomic data is in memory
const ptrdiff_t nonempty_npts_model = grid::get_nonempty_npts_model();
J_normfactor.resize(nonempty_npts_model + 1);
J.resize(nonempty_npts_model + 1);
#ifdef DO_TITER
J_reduced_save.resize(nonempty_npts_model + 1);
#endif
// J and nuJ are accumulated and then normalised in-place
// i.e. be sure the normalisation has been applied (exactly once) before using the values here!
nuJ.resize(nonempty_npts_model + 1);
#ifdef DO_TITER
nuJ.resize(nonempty_npts_model + 1);
#endif
resize_exactly(prev_Jb_lu_normed, nonempty_npts_model);
resize_exactly(Jb_lu_raw, nonempty_npts_model);
detailed_linecount = 0;
if constexpr (DETAILED_LINE_ESTIMATORS_ON) {
for (int i = 0; i < globals::nlines; i++) {
const int element = globals::linelist[i].elementindex;
const int Z = get_atomicnumber(element);
if (Z == 26) {
const int lowerlevel = globals::linelist[i].lowerlevelindex;
// const int upperlevel = linelist[i].upperlevelindex;
// const int ion = linelist[i].ionindex;
// const int ionstage = get_ionstage(element, ion);
const double A_ul = globals::linelist[i].einstein_A;
bool addline = false;
// if (ionstage == 1 && lowerlevel == 6 && upperlevel == 55)
// addline = true;
// else if (ionstage == 1 && lowerlevel == 10 && upperlevel == 104)
// addline = true;
// else if (ionstage == 1 && lowerlevel == 10 && upperlevel == 112)
// addline = true;
// else if (ionstage == 2 && lowerlevel == 9 && upperlevel == 64)
// addline = true;
if (lowerlevel <= 15 && A_ul > 0.) { // ionstage <= 3 && A_ul > 1e3 &&
addline = true;
}
if (addline) {
// printout("Adding Jblue estimator for lineindex %d Z=%02d ionstage %d lower %d upper %d A_ul %g\n",
// i, Z, ionstage, lowerlevel, upperlevel, A_ul);
add_detailed_line(i);
}
}
}
}
printout("There are %d lines with detailed Jblue_lu estimators.\n", detailed_linecount);
printout("DETAILED_BF_ESTIMATORS %s", DETAILED_BF_ESTIMATORS_ON ? "ON" : "OFF");
if (DETAILED_BF_ESTIMATORS_ON) {
printout(" from timestep %d\n", DETAILED_BF_ESTIMATORS_USEFROMTIMESTEP);
} else {
printout("\n");
}
if (MULTIBIN_RADFIELD_MODEL_ON) {
printout("The multibin radiation field is being used from timestep %d onwards.\n", FIRST_NLTE_RADFIELD_TIMESTEP);
printout("Initialising multibin radiation field with %d bins from (%.2f eV, %6.1f A) to (%.2f eV, %6.1f A)\n",
RADFIELDBINCOUNT, H * nu_lower_first_initial / EV, 1e8 * CLIGHT / nu_lower_first_initial,
H * nu_upper_last_initial / EV, 1e8 * CLIGHT / nu_upper_last_initial);
if (ndo_nonempty > 0) {
char filename[MAXFILENAMELENGTH];
snprintf(filename, MAXFILENAMELENGTH, "radfield_%.4d.out", my_rank);
assert_always(radfieldfile == nullptr);
radfieldfile = fopen_required(filename, "w");
fprintf(radfieldfile, "timestep modelgridindex bin_num nu_lower nu_upper nuJ J J_nu_avg ncontrib T_R W\n");
fflush(radfieldfile);
}
const size_t mem_usage_bins = nonempty_npts_model * RADFIELDBINCOUNT * sizeof(RadFieldBin);
radfieldbins = static_cast<RadFieldBin *>(malloc(nonempty_npts_model * RADFIELDBINCOUNT * sizeof(RadFieldBin)));
const size_t mem_usage_bin_solutions = nonempty_npts_model * RADFIELDBINCOUNT * sizeof(RadFieldBinSolution);
std::tie(radfieldbin_solutions, win_radfieldbin_solutions) =
MPI_shared_malloc_keepwin<RadFieldBinSolution>(nonempty_npts_model * RADFIELDBINCOUNT);
printout("[info] mem_usage: radiation field bin accumulators for non-empty cells occupy %.3f MB\n",
mem_usage_bins / 1024. / 1024.);
printout(
"[info] mem_usage: radiation field bin solutions for non-empty cells occupy %.3f MB (node shared memory)\n",
mem_usage_bin_solutions / 1024. / 1024.);
} else {
printout("The radiation field model is a full-spectrum fit to a single dilute blackbody TR & W.\n");
}
if constexpr (DETAILED_BF_ESTIMATORS_ON) {
{
std::tie(prev_bfrate_normed, win_prev_bfrate_normed) =
MPI_shared_malloc_keepwin_span<float>(nonempty_npts_model * globals::bfestimcount);
if (globals::rank_in_node == 0) {
std::ranges::fill(prev_bfrate_normed, 0.);
}
}
printout("[info] mem_usage: detailed bf estimators for non-empty cells occupy %.3f MB (node shared memory)\n",
nonempty_npts_model * globals::bfestimcount * sizeof(float) / 1024. / 1024.);
bfrate_raw.resize(nonempty_npts_model * globals::bfestimcount);
printout("[info] mem_usage: detailed bf estimator acculumators for non-empty cells occupy %.3f MB\n",
nonempty_npts_model * globals::bfestimcount * sizeof(double) / 1024. / 1024.);
}
zero_estimators();
if constexpr (MULTIBIN_RADFIELD_MODEL_ON) {
MPI_Barrier(globals::mpi_comm_node);
if (globals::rank_in_node == 0) {
for (ptrdiff_t nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
for (int binindex = 0; binindex < RADFIELDBINCOUNT; binindex++) {
const auto mgibinindex = (nonemptymgi * RADFIELDBINCOUNT) + binindex;
radfieldbin_solutions[mgibinindex].W = -1.;
radfieldbin_solutions[mgibinindex].T_R = -1.;
}
}
}
MPI_Barrier(globals::mpi_comm_node);
}
}
// Initialise estimator arrays which hold the last time steps values (used to damp out
// fluctuations over timestep iterations if DO_TITER is defined) to -1.
void initialise_prev_titer_photoionestimators() {
#ifdef DO_TITER
std::ranges::fill(globals::ffheatingestimator_save, -1.);
std::ranges::fill(globals::colheatingestimator_save, -1.);
std::ranges::fill(globals::J_reduced_save, -1.);
std::ranges::fill(globals::nuJ_reduced_save, -1.);
for (int nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
for (int element = 0; element < get_nelements(); element++) {
const int nions = get_nions(element);
for (int ion = 0; ion < nions - 1; ion++) {
if constexpr (USE_LUT_PHOTOION) {
globals::gammaestimator_save[get_ionestimindex_nonemptymgi(nonemptymgi, element, ion)] = -1.;
}
if constexpr (USE_LUT_BFHEATING) {
globals::bfheatingestimator_save[get_ionestimindex_nonemptymgi(nonemptymgi, element, ion)] = -1.;
}
}
}
}
#endif
}
auto get_Jblueindex(const int lineindex) -> int {
// returns -1 if the line does not have a Jblue estimator
if constexpr (!DETAILED_LINE_ESTIMATORS_ON) {
return -1;
}
// use a binary search, assuming the list is sorted
int low = 0;
int high = detailed_linecount - 1;
while (low <= high) {
const int mid = low + ((high - low) / 2);
if (detailed_lineindicies[mid] < lineindex) {
low = mid + 1;
} else if (detailed_lineindicies[mid] > lineindex) {
high = mid - 1;
} else {
assert_always(mid < detailed_linecount);
return mid;
}
}
return -1;
}
auto get_Jb_lu(const int nonemptymgi, const int jblueindex) -> double {
assert_always(jblueindex >= 0);
assert_always(jblueindex < detailed_linecount);
return prev_Jb_lu_normed[nonemptymgi][jblueindex].value;
}
auto get_Jb_lu_contribcount(const int nonemptymgi, const int jblueindex) -> int {
assert_always(jblueindex >= 0);
assert_always(jblueindex < detailed_linecount);
return prev_Jb_lu_normed[nonemptymgi][jblueindex].contribcount;
}
void close_file() {
if (radfieldfile != nullptr) {
fclose(radfieldfile);
radfieldfile = nullptr;
}
if (MULTIBIN_RADFIELD_MODEL_ON) {
free(radfieldbins);
if (win_radfieldbin_solutions != MPI_WIN_NULL) {
MPI_Win_free(&win_radfieldbin_solutions);
}
}
if constexpr (DETAILED_BF_ESTIMATORS_ON) {
if (win_radfieldbin_solutions != MPI_WIN_NULL) {
MPI_Win_free(&win_prev_bfrate_normed);
}
}
}
// set up the new bins and clear the estimators in preparation for a timestep
void zero_estimators() {
std::ranges::fill(J_normfactor, -1.0);
std::ranges::fill(J, 0.0);
std::ranges::fill(nuJ, 0.0);
std::ranges::fill(bfrate_raw, 0.0);
if constexpr (MULTIBIN_RADFIELD_MODEL_ON) {
assert_always(radfieldbins != nullptr);
for (ptrdiff_t nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
std::fill_n(&radfieldbins[nonemptymgi * RADFIELDBINCOUNT], RADFIELDBINCOUNT,
RadFieldBin{.J_raw = 0., .nuJ_raw = 0., .contribcount = 0});
}
}
if constexpr (DETAILED_LINE_ESTIMATORS_ON) {
for (int nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
std::fill_n(Jb_lu_raw[nonemptymgi].data(), detailed_linecount, Jb_lu_estimator{.value = 0., .contribcount = 0});
}
}
}
__host__ __device__ void update_estimators(const int nonemptymgi, const double distance_e_cmf, const double nu_cmf,
const double doppler_nucmf_on_nurf, const Phixslist &phixslist,
const bool thickcell) {
if (distance_e_cmf == 0) {
return;
}
atomicadd(J[nonemptymgi], distance_e_cmf);
atomicadd(nuJ[nonemptymgi], distance_e_cmf * nu_cmf);
if (thickcell) {
return;
}
if constexpr (DETAILED_BF_ESTIMATORS_ON) {
update_bfestimators(nonemptymgi, distance_e_cmf, nu_cmf, doppler_nucmf_on_nurf, phixslist);
}
if constexpr (MULTIBIN_RADFIELD_MODEL_ON) {
const int binindex = select_bin(nu_cmf);
if (binindex >= 0) {
const ptrdiff_t mgibinindex = (nonemptymgi * RADFIELDBINCOUNT) + binindex;
atomicadd(radfieldbins[mgibinindex].J_raw, distance_e_cmf);
atomicadd(radfieldbins[mgibinindex].nuJ_raw, distance_e_cmf * nu_cmf);
atomicadd(radfieldbins[mgibinindex].contribcount, 1);
}
}
}
__host__ __device__ void update_lineestimator(const int nonemptymgi, const int lineindex, const double increment) {
if constexpr (!DETAILED_LINE_ESTIMATORS_ON) {
return;
}
const int jblueindex = get_Jblueindex(lineindex);
if (jblueindex >= 0) {
Jb_lu_raw[nonemptymgi][jblueindex].value += increment;
Jb_lu_raw[nonemptymgi][jblueindex].contribcount += 1;
}
}
// mean intensity J_nu [ergs/s/sr/cm2/Hz]
__host__ __device__ auto radfield(const double nu, const int nonemptymgi) -> double {
if constexpr (MULTIBIN_RADFIELD_MODEL_ON) {
if (globals::timestep >= FIRST_NLTE_RADFIELD_TIMESTEP) {
const int binindex = select_bin(nu);
if (binindex >= 0) {
const auto &bin = radfieldbin_solutions[(static_cast<ptrdiff_t>(nonemptymgi) * RADFIELDBINCOUNT) + binindex];
if (bin.W >= 0.) {
const double J_nu = dbb(nu, bin.T_R, bin.W);
return J_nu;
}
}
return 0.;
}
}
const float T_R_fullspec = grid::get_TR(nonemptymgi);
const float W_fullspec = grid::get_W(nonemptymgi);
const double J_nu_fullspec = dbb(nu, T_R_fullspec, W_fullspec);
return J_nu_fullspec;
}
// return the integral of nu^3 / (exp(h nu / k T) - 1) from nu_lower to nu_upper
// or if times_nu is true, the integral of nu^4 / (exp(h nu / k T) - 1) from nu_lower to nu_upper
auto planck_integral_analytic(const double T_R, const double nu_lower, const double nu_upper, const bool times_nu)
-> double {
double integral = 0.;
if (times_nu) {
const double debye_upper = gsl_sf_debye_4(HOVERKB * nu_upper / T_R) * pow(nu_upper, 4);
const double debye_lower = gsl_sf_debye_4(HOVERKB * nu_lower / T_R) * pow(nu_lower, 4);
integral = TWOHOVERCLIGHTSQUARED * (debye_upper - debye_lower) * T_R / HOVERKB / 4.;
} else {
const double debye_upper = gsl_sf_debye_3(HOVERKB * nu_upper / T_R) * pow(nu_upper, 3);
const double debye_lower = gsl_sf_debye_3(HOVERKB * nu_lower / T_R) * pow(nu_lower, 3);
integral = TWOHOVERCLIGHTSQUARED * (debye_upper - debye_lower) * T_R / HOVERKB / 3.;
if (integral == 0.) {
// double upperexp = exp(HOVERKB * nu_upper / T_R);
// double upperint = - pow(nu_upper,4) / 4
// + pow(nu_upper,3) * log(1 - upperexp) / HOVERKB
// + 3 * pow(nu_upper,2) * polylog(2,upperexp) / pow(HOVERKB,2)
// - 6 * nu_upper * polylog(3,upperexp) / pow(HOVERKB,3)
// + 6 * polylog(4,upperexp) / pow(HOVERKB,4);
// double lowerexp = exp(HOVERKB * nu_lower / T_R);
// double lowerint = - pow(nu_lower,4) / 4
// + pow(nu_lower,3) * log(1 - lowerexp) / HOVERKB
// + 3 * pow(nu_lower,2) * polylog(2,lowerexp) / pow(HOVERKB,2)
// - 6 * nu_lower * polylog(3,lowerexp) / pow(HOVERKB,3)
// + 6 * polylog(4,lowerexp) / pow(HOVERKB,4);
// double integral2 = TWOHOVERCLIGHTSQUARED * (upperint - lowerint);
// printout("planck_integral_analytic is zero. debye_upper %g debye_lower %g. Test alternative %g\n",
// debye_upper,debye_lower,integral2);
}
}
return integral;
}
// finds the best fitting W and temperature parameters in each spectral bin using J and nuJ
void fit_parameters(const int nonemptymgi, const int timestep) {
set_params_fullspec(nonemptymgi, timestep);
const auto modelgridindex = grid::get_mgi_of_nonemptymgi(nonemptymgi);
if constexpr (MULTIBIN_RADFIELD_MODEL_ON) {
if (J_normfactor[nonemptymgi] <= 0) {
printout("radfield: FATAL J_normfactor = %g in cell %d at call to fit_parameters", J_normfactor[nonemptymgi],
modelgridindex);
std::abort();
}
double J_bin_sum = 0.;
for (int binindex = 0; binindex < RADFIELDBINCOUNT; binindex++) {
J_bin_sum += get_bin_J(nonemptymgi, binindex);
}
printout("radfield bins sum to J of %g (%.1f%% of total J).\n", J_bin_sum, 100. * J_bin_sum / J[nonemptymgi]);
printout("radfield: Finding parameters for %d bins...\n", RADFIELDBINCOUNT);
double J_bin_max = 0.;
for (int binindex = 0; binindex < RADFIELDBINCOUNT; binindex++) {
const double J_bin = get_bin_J(nonemptymgi, binindex);
J_bin_max = std::max(J_bin_max, J_bin);
}
for (int binindex = 0; binindex < RADFIELDBINCOUNT; binindex++) {
const double nu_lower = get_bin_nu_lower(binindex);
const double nu_upper = get_bin_nu_upper(binindex);
const double J_bin = get_bin_J(nonemptymgi, binindex);
float T_R_bin = -1.;
double W_bin = -1.;
const int contribcount = get_bin_contribcount(nonemptymgi, binindex);
if (contribcount > 0) {
{
T_R_bin = find_T_R(nonemptymgi, binindex);
if (binindex == RADFIELDBINCOUNT - 1) {
const auto T_e = grid::get_Te(nonemptymgi);
printout(" replacing bin %d T_R %7.1f with cell T_e = %7.1f\n", binindex,
get_bin_T_R(nonemptymgi, binindex), T_e);
T_R_bin = T_e;
}
double planck_integral_result = planck_integral(T_R_bin, nu_lower, nu_upper, false);
// printout("planck_integral(T_R=%g, nu_lower=%g, nu_upper=%g) = %g\n", T_R_bin, nu_lower,
// nu_upper, planck_integral_result);
W_bin = J_bin / planck_integral_result;
if (W_bin > 1e4) {
// printout("T_R_bin %g, nu_lower %g, nu_upper %g\n", T_R_bin, nu_lower, nu_upper);
printout("W %g too high, trying setting T_R of bin %d to %g. J_bin %g planck_integral %g\n", W_bin,
binindex, T_R_max, J_bin, planck_integral_result);
planck_integral_result = planck_integral(T_R_max, nu_lower, nu_upper, false);
W_bin = J_bin / planck_integral_result;
if (W_bin > 1e4) {
printout("W still very high, W=%g. Zeroing bin...\n", W_bin);
T_R_bin = -99.;
W_bin = 0.;
} else {
printout("new W is %g. Continuing with this value\n", W_bin);
T_R_bin = T_R_max;
}
}
}
} else {
T_R_bin = 0.;
W_bin = 0.;
}
const auto mgibinindex = (nonemptymgi * RADFIELDBINCOUNT) + binindex;
radfieldbin_solutions[mgibinindex].T_R = T_R_bin;
radfieldbin_solutions[mgibinindex].W = W_bin;
}
write_to_file(nonemptymgi, timestep);
}
}
void set_J_normfactor(const int nonemptymgi, const double normfactor) { J_normfactor[nonemptymgi] = normfactor; }
void normalise_J(const int nonemptymgi, const double estimator_normfactor_over4pi) {
assert_always(std::isfinite(J[nonemptymgi]));
J[nonemptymgi] *= estimator_normfactor_over4pi;
for (int i = 0; i < detailed_linecount; i++) {
prev_Jb_lu_normed[nonemptymgi][i].value = Jb_lu_raw[nonemptymgi][i].value * estimator_normfactor_over4pi;
prev_Jb_lu_normed[nonemptymgi][i].contribcount = Jb_lu_raw[nonemptymgi][i].contribcount;
}
}
void normalise_bf_estimators(const int nts, const int nts_prev, const int titer, const double deltat) {
if (globals::rank_in_node != 0) {
return;
}
if (globals::lte_iteration) {
return;
}
if (nts == globals::timestep_initial && titer == 0) {
return;
}
const auto bfestimcount = globals::bfestimcount;
const ptrdiff_t nonempty_npts_model = grid::get_nonempty_npts_model();
for (ptrdiff_t nonemptymgi = 0; nonemptymgi < nonempty_npts_model; nonemptymgi++) {
if (grid::modelgrid[nonemptymgi].thick == 1) {
continue;
}
const auto mgi = grid::get_mgi_of_nonemptymgi(nonemptymgi);
const double deltaV =
grid::get_modelcell_assocvolume_tmin(mgi) * pow(globals::timesteps[nts_prev].mid / globals::tmin, 3);
const double estimator_normfactor = 1 / deltaV / deltat / globals::nprocs;
for (int i = 0; i < bfestimcount; i++) {
const auto mgibfindex = (nonemptymgi * bfestimcount) + i;
prev_bfrate_normed[mgibfindex] = bfrate_raw[mgibfindex] * (estimator_normfactor / H);
}
}
}
__host__ __device__ auto get_bfrate_estimator(const int element, const int lowerion, const int lower,
const int phixstargetindex, const int nonemptymgi) -> double {
if constexpr (DETAILED_BF_ESTIMATORS_ON) {
const int allcontindex = get_bfcontindex(element, lowerion, lower, phixstargetindex);
if (allcontindex >= 0) {
const auto bfestimindex = globals::allcont[allcontindex].bfestimindex;
if (bfestimindex >= 0) {
return prev_bfrate_normed[(nonemptymgi * globals::bfestimcount) + bfestimindex];
}
}
}
return -1.;
}
void normalise_nuJ(const int nonemptymgi, const double estimator_normfactor_over4pi) {
assert_always(std::isfinite(nuJ[nonemptymgi]));
nuJ[nonemptymgi] *= estimator_normfactor_over4pi;
}
auto get_T_J_from_J(const int nonemptymgi) -> double {
const double T_J = pow(J[nonemptymgi] * PI / STEBO, 1. / 4.);
if (!std::isfinite(T_J)) {
// keep old value of T_J
const auto modelgridindex = grid::get_mgi_of_nonemptymgi(nonemptymgi);
printout("[warning] get_T_J_from_J: T_J estimator infinite in cell %d, use value of last timestep\n",
modelgridindex);
return grid::get_TR(nonemptymgi);
}
// Make sure that T is in the allowed temperature range.
if (T_J > MAXTEMP) {
printout("[warning] get_T_J_from_J: T_J would be %.1f > MAXTEMP. Clamping to MAXTEMP = %.0f K\n", T_J, MAXTEMP);
return MAXTEMP;
}
if (T_J < MINTEMP) {
printout("[warning] get_T_J_from_J: T_J would be %.1f < MINTEMP. Clamping to MINTEMP = %.0f K\n", T_J, MINTEMP);
return MINTEMP;
}
return T_J;
}
#ifdef DO_TITER
void titer_J(const int nonemptymgi) {
if (J_reduced_save[nonemptymgi] >= 0) {
J[nonemptymgi] = (J[nonemptymgi] + J_reduced_save[nonemptymgi]) / 2;
}
J_reduced_save[nonemptymgi] = J[nonemptymgi];