From 6ae5bbaf3c74f7356798a983d02fcd549babc51f Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Tue, 20 Jun 2023 10:38:12 -0600 Subject: [PATCH 01/65] in progress --- singularity-eos/base/hermite.hpp | 99 +++++++++++++++++++++++++++ singularity-eos/base/math_utils.hpp | 5 ++ singularity-eos/eos/eos_helmholtz.hpp | 69 +++++++++++++++++++ 3 files changed, 173 insertions(+) create mode 100644 singularity-eos/base/hermite.hpp create mode 100644 singularity-eos/eos/eos_helmholtz.hpp diff --git a/singularity-eos/base/hermite.hpp b/singularity-eos/base/hermite.hpp new file mode 100644 index 0000000000..ebee68258f --- /dev/null +++ b/singularity-eos/base/hermite.hpp @@ -0,0 +1,99 @@ +//------------------------------------------------------------------------------ +// © 2023. Triad National Security, LLC. All rights reserved. This +// program was produced under U.S. Government contract 89233218CNA000001 +// for Los Alamos National Laboratory (LANL), which is operated by Triad +// National Security, LLC for the U.S. Department of Energy/National +// Nuclear Security Administration. All rights in the program are +// reserved by Triad National Security, LLC, and the U.S. Department of +// Energy/National Nuclear Security Administration. The Government is +// granted for itself and others acting on its behalf a nonexclusive, +// paid-up, irrevocable worldwide license in this material to reproduce, +// prepare derivative works, distribute copies to the public, perform +// publicly and display publicly, and to permit others to do so. +//------------------------------------------------------------------------------ + +#ifndef SINGULARITY_EOS_BASE_HERMITE_HPP_ +#define SINGULARITY_EOS_BASE_HERMITE_HPP_ + +#include +#include + +namespace singularity { +namespace hermite { + +// psi0 and its derivatives +PORTABLE_INLINE_FUNCTION Real psi0(Real z) { + return z * z * z * (z * (-6.0 * z + 15.0) - 10.0) + 1.0; +} +PORTABLE_INLINE_FUNCTION Real dpsi0(Real z) { + return z * z * (z * (-30.0 * z + 60.0) - 30.0); +} +PORTABLE_INLINE_FUNCTION Real ddpsi0(Real z) { + return z * (z * (-120.0 * z + 180.0) - 60.0); +} + +// psi1 and its derivatives +PORTABLE_INLINE_FUNCTION Real psi1(Real z) { + return z * (z * z * (z * (-3.0 * z + 8.0) - 6.0) + 1.0); +} +PORTABLE_INLINE_FUNCTION Real dpsi1(Real z) { + return z * z * (z * (-15.0 * z + 32.0) - 18.0) + 1.0; +} +PORTABLE_INLINE_FUNCTION Real ddpsi1(Real z) { + return z * (z * (-60.0 * z + 96.0) - 36.0); +} + +// psi2 and its derivatives +PORTABLE_INLINE_FUNCTION Real psi2(Real z) { + return 0.5 * z * z * (z * (z * (-z + 3.0) - 3.0) + 1.0); +} +PORTABLE_INLINE_FUNCTION Real dpsi2(Real z) { + return 0.5 * z * (z * (z * (-5.0 * z + 12.0) - 9.0) + 2.0); +} +PORTABLE_INLINE_FUNCTION Real ddpsi2(Real z) { + return 0.5 * (z * (z * (-20.0 * z + 36.0) - 18.0) + 2.0); +} + +// biquintic hermite polynomial +PORTABLE_INLINE_FUNCTION Real h5(Real fi[36], Real w0t, Real w1t, Real w2t, Real w0mt, + Real w1mt, Real w2mt, Real w0d, Real w1d, Real w2d, + Real w0md, Real w1md, Real w2md) { + return fi[0] * w0d * w0t + fi[1] * w0md * w0t + fi[2] * w0d * w0mt + + fi[3] * w0md * w0mt + fi[4] * w0d * w1t + fi[5] * w0md * w1t + + fi[6] * w0d * w1mt + fi[7] * w0md * w1mt + fi[8] * w0d * w2t + + fi[9] * w0md * w2t + fi[10] * w0d * w2mt + fi[11] * w0md * w2mt + + fi[12] * w1d * w0t + fi[13] * w1md * w0t + fi[14] * w1d * w0mt + + fi[15] * w1md * w0mt + fi[16] * w2d * w0t + fi[17] * w2md * w0t + + fi[18] * w2d * w0mt + fi[19] * w2md * w0mt + fi[20] * w1d * w1t + + fi[21] * w1md * w1t + fi[22] * w1d * w1mt + fi[23] * w1md * w1mt + + fi[24] * w2d * w1t + fi[25] * w2md * w1t + fi[26] * w2d * w1mt + + fi[27] * w2md * w1mt + fi[28] * w1d * w2t + fi[29] * w1md * w2t + + fi[30] * w1d * w2mt + fi[31] * w1md * w2mt + fi[32] * w2d * w2t + + fi[33] * w2md * w2t + fi[34] * w2d * w2mt + fi[35] * w2md * w2mt; +} + +// cubic hermite polynomial +// psi0 and its derivatives +PORTABLE_INLINE_FUNCTION Real xpsi0(Real z) { return z * z * (2.0 * z - 3.0) + 1.0; } +PORTABLE_INLINE_FUNCTION Real xdpsi0(Real z) { return z * (6.0 * z - 6.0); } + +// psi1 and its derivatives +PORTABLE_INLINE_FUNCTION Real xpsi1(Real z) { return z * (z * (z - 2.0) + 1.0); } + +PORTABLE_INLINE_FUNCTION Real xdpsi1(Real z) { return z * (3.0 * z - 4.0) + 1.0; } + +// bicubic hermite polynomial +PORTABLE_INLINE_FUNCTION Real h3(Real fi[16], Real w0t, Real w1t, Real w0mt, Real w1mt, + Real w0d, Real w1d, Real w0md, Real w1md) { + return fi[0] * w0d * w0t + fi[1] * w0md * w0t + fi[2] * w0d * w0mt + + fi[3] * w0md * w0mt + fi[4] * w0d * w1t + fi[5] * w0md * w1t + + fi[6] * w0d * w1mt + fi[7] * w0md * w1mt + fi[8] * w1d * w0t + + fi[9] * w1md * w0t + fi[10] * w1d * w0mt + fi[11] * w1md * w0mt + + fi[12] * w1d * w1t + fi[13] * w1md * w1t + fi[14] * w1d * w1mt + + fi[15] * w1md * w1mt; +} + +} // namespace hermite +} // namespace singularity + +#endif // SINGULARITY_EOS_BASE_MATH_UTILS_HPP_ diff --git a/singularity-eos/base/math_utils.hpp b/singularity-eos/base/math_utils.hpp index ef922d7a7b..49b05c2b23 100644 --- a/singularity-eos/base/math_utils.hpp +++ b/singularity-eos/base/math_utils.hpp @@ -50,6 +50,11 @@ PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow<4>(const Real x) { return pow<2>(x) * pow<2>(x); } +PORTABLE_FORCEINLINE_FUNCTION auto pow10(const Real x) { + constexpr Real ln10 = 2.30258509299405e+00; + return std::exp(ln10*x); +} + } // namespace math_utils } // namespace singularity diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp new file mode 100644 index 0000000000..b4d98fcb3f --- /dev/null +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -0,0 +1,69 @@ +//------------------------------------------------------------------------------ +// © 2023. Triad National Security, LLC. All rights reserved. This +// program was produced under U.S. Government contract 89233218CNA000001 +// for Los Alamos National Laboratory (LANL), which is operated by Triad +// National Security, LLC for the U.S. Department of Energy/National +// Nuclear Security Administration. All rights in the program are +// reserved by Triad National Security, LLC, and the U.S. Department of +// Energy/National Nuclear Security Administration. The Government is +// granted for itself and others acting on its behalf a nonexclusive, +// paid-up, irrevocable worldwide license in this material to reproduce, +// prepare derivative works, distribute copies to the public, perform +// publicly and display publicly, and to permit others to do so. +//------------------------------------------------------------------------------ + +#ifndef _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ +#define _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ +#ifdef SPINER_USE_HDF + +// ports of call +#include + +// singularity-eos +#include +#include +#include +#include +#include + +// spiner +#include + +namespace singularity { +using namespace eos_base; + +class Helmholtz : public EosBase { + public: + private: + // Free energy and derivatives + Spiner::DataBox f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_; + // derivatives + Spiner::DataBox dpdf_, dpdfd_, dpdft_, dpdfdt_; + // chemical potential + Spiner::DataBox ef_, efd_, eft_, efdt_; + // number density + Spiner::DataBox xf_, xfd_, xft_, xfdt_; + // TODO(JMM): Add species file + + constexpr std::size_t NTEMP = 101; + constexpr std::size_t NRHO = 271; + + constexpr Real lTMin_ = 3.0; + constexpr Real lTMax_ = 13.0; + constexpr Real lRhoMin_ = -12.0; + constexpr Real lRhoMax_ = 15.0; + + constexpr Real dlT_ = (lTMax_ - lTMin_) / (static_cast(NTEMP) - 1.0); + constexpr Real dlRho_ = (lRhoMax_ - lRhoMin_) / (static_cast(NRHO) - 1.0); + + const Real TMin_ = math_utils::pow10(lTMin_); + const Real TMax_ = math_utils::pow10(lTMax_); + const Real rhoMin_ = math_utils::pow10(lRhoMin_); + const Real rhoMax_ = math_utils::pow10(rhoMax_); + +}; + +}; // namespace singularity + +#endif // SPINER_USE_HDF +#endif // _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ From 224497d115c57f0832f6f5ece2c9da7cc8e89420 Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Tue, 20 Jun 2023 14:22:45 -0600 Subject: [PATCH 02/65] core function implemented still need to fill out API --- singularity-eos/eos/eos_helmholtz.hpp | 389 +++++++++++++++++++++++++- 1 file changed, 388 insertions(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index b4d98fcb3f..090b0ec1ae 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -1,4 +1,11 @@ //------------------------------------------------------------------------------ +// The Helmholtz EOS was first presented in: Timmes and Swesty, ApJS +// 126:501-516 (2000). Reference implementation in fortan is here: +// https://cococubed.com/code_pages/eos.shtml +// Reference implementation is CC Frank TImmes and Douglas Swesty, 1999. +// Original work is open-sourced under the CC-By license +// https://creativecommons.org/licenses/by/4.0/ +//------------------------------------------------------------------------------ // © 2023. Triad National Security, LLC. All rights reserved. This // program was produced under U.S. Government contract 89233218CNA000001 // for Los Alamos National Laboratory (LANL), which is operated by Triad @@ -16,8 +23,16 @@ #define _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ #ifdef SPINER_USE_HDF +#include + +#include +#include +#include +#include + // ports of call #include +#include // singularity-eos #include @@ -34,7 +49,77 @@ using namespace eos_base; class Helmholtz : public EosBase { public: + // These are the indexes in the lambda array + struct Lambda { + enum Index { + Ye = 0, // electron fraction zbar/abar + Ytot = 1, // 1.0 / abar + De = 2, // Electron density rho * Ye + lDe = 3 + }; // log10(De) + }; + + inline Helmholtz(const std::string &filename) { + InitDataFile_(filename); + } + inline Helmholtz(const std::string &data_file, const std::string &species_file) { + InitDataFile_(data_life); + InitSpeciesFile_(species_file); + } + + + private: + inline void InitDataFile_(const std::string &filename); + inline void InitSpeciesFile_(const std::string &filename) { + PORTABLE_ALWAYS_THROW_OR_ABORT("Stub"); + } + + PORTABLE_INLINE_FUNCTION + void GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, Real lDe, + double pele[5], double eele[5], double sele[5], double etaele[5], + double xne[5], bool only_e = false) const; + + // Tail-recursive resize tables + inline void ResizeTables_(Spiner::DataBox &db) { + db.resize(NTEMP, NRHO); // set shape and log bounds + db.setRange(1, lTMin_, lTMax_, NTEMP); + db.setRange(0, lRhoMin_, lRhoMax_, NRHO); + } + template + inline void ResizeTables_(Spiner::DataBox &head, Args &&...tail) { + ResizeTables_(head); + ResizeTables_(std::forward(tail)...); + } + // Tail-recursive read one i,j from text file + template + inline void Read_(std::ifstream &file, Msg_t &error_msg, T &var) { + if (!(file >> var)) { + file.close(); // is this needed? + PORTABLE_ALWAYS_THROW_OR_ABORT(error_msg); + } + } + template + inline void Read_(std::ifstream &file, Msg_t &error_msg, T &head, Args &&...tail) { + Read_(file, msg, head); + Read_(file, msg, std::forward(tail)...); + } + // Read all i,j from text file + template + inline void SetTablesFromFile_(std::ifstream &file, Args &&...tables) { + ResizeTables(std::forward(tables)...); + for (int j = 0; j < NTEMP; ++j) { + for (int i = 0; i < NTEMP; ++i) { + std::stringstream error_msg; + msg << "Error reading the Helmholtz free energy table at j = " << j + << ", i = " << i << std::endl; + Read_(file, error_msg, tables(j, i)...); + } + } + } + + // rho and T caches (to go between log/linear scale) + Spiner::DataBox rho_, T_; // Free energy and derivatives Spiner::DataBox f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_; // derivatives @@ -60,9 +145,311 @@ class Helmholtz : public EosBase { const Real TMax_ = math_utils::pow10(lTMax_); const Real rhoMin_ = math_utils::pow10(lRhoMin_); const Real rhoMax_ = math_utils::pow10(rhoMax_); - }; +inline void Helmholtz::InitDataFile_(const std::string &filename) { + std::ifstream file(filename); + PORTABLE_ALWAYS_REQUIRE(file.is_open(), "Helmholtz file " + filename + " not found!"); + SetTablesFromFile_(file, f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_); + SetTablesFromFile_(file, dpdf_, dpdfd_, dpdft_, dpdfdt_); + SetTablesFromFile_(file, ef_, efd_, eft_, efdt_); + SetTablesFromFile_(file, xf_, xfd_, xft_, xfdt_); + file.close(); + + auto &lRhoRange = f_.range(0); + auto &lTRange = f_.range(1); + rho_.resize(NRHO); + for (int i = 0; i < NRHO; ++i) { + rho_(i) = math_utils::pow10(lRhoRange.x(i)); + } + T_.resize(NTEMP); + for (int i = 0; i < NTEMP; ++i) { + T_(i) = math_utils::pow10(lTRange.x(i)); + } +} + +PORTABLE_INLINE_FUNCTION +void Helmholtz::GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, Real lDe, + double pele[5], double eele[5], double sele[5], double etaele[5], + double xne[5], bool only_e = false) const { + // Bound lRho, lT + rho = std::min(rhoMax_, std::max(rhoMin_, rho)); + De = std::min(rhoMax_, std::max(rhoMin_, De)); + lDe = std::min(lRhoMax_, std::max(lRhoMin_, lDe)); + T = std::min(TMax_, std::max(TMin_, T)); + lT = std::min(lTMax_, std::max(lTMin_, lT)); + + // Find central indexes in table + auto &lRhoRange = f_.range(0); + auto &lTRange = f_.range(1); + int iat = lRhoRange.index(lDe); // auto bounded + int jat = lTRange.index(lT); + + // compute deltas + Real dth = T_(jat + 1) - T_(jat); + Real dt2 = dth * dth; + Real dti = robust::ratio(1.0, dth); + Real dt2i = dti * dti; // division is slow + Real dd = rho_(iat + 1) - rho_(iat); + Real dd2 = dd * dd; + Real ddi = robust::ratio(1.0, dd); + + // contiguous cache of values for helm interp + Real fi[36]; + fi[0] = f_[jat][iat]; + fi[1] = f_[jat + 1][iat]; + fi[2] = f_[jat][iat + 1]; + fi[3] = f_[jat + 1][iat + 1]; + fi[4] = ft_[jat][iat]; + fi[5] = ft_[jat + 1][iat]; + fi[6] = ft_[jat][iat + 1]; + fi[7] = ft_[jat + 1][iat + 1]; + fi[8] = ftt_[jat][iat]; + fi[9] = ftt_[jat + 1][iat]; + fi[10] = ftt_[jat][iat + 1]; + fi[11] = ftt_[jat + 1][iat + 1]; + fi[12] = fd_[jat][iat]; + fi[13] = fd_[jat + 1][iat]; + fi[14] = fd_[jat][iat + 1]; + fi[15] = fd_[jat + 1][iat + 1]; + fi[16] = fdd_[jat][iat]; + fi[17] = fdd_[jat + 1][iat]; + fi[18] = fdd_[jat][iat + 1]; + fi[19] = fdd_[jat + 1][iat + 1]; + fi[20] = fdt_[jat][iat]; + fi[21] = fdt_[jat + 1][iat]; + fi[22] = fdt_[jat][iat + 1]; + fi[23] = fdt_[jat + 1][iat + 1]; + fi[24] = fddt_[jat][iat]; + fi[25] = fddt_[jat + 1][iat]; + fi[26] = fddt_[jat][iat + 1]; + fi[27] = fddt_[jat + 1][iat + 1]; + fi[28] = fdtt_[jat][iat]; + fi[29] = fdtt_[jat + 1][iat]; + fi[30] = fdtt_[jat][iat + 1]; + fi[31] = fdtt_[jat + 1][iat + 1]; + fi[32] = fddtt_[jat][iat]; + fi[33] = fddtt_[jat + 1][iat]; + fi[34] = fddtt_[jat][iat + 1]; + fi[35] = fddtt_[jat + 1][iat + 1]; + + // differences + Real xt = std::max(0.0, (T - T_(jat)) * dti); + Real xd = std::max(0.0, (De - rho_(iat)) * ddi); + Real mxt = 1. - xt; + Real mxd = 1. - xd; + + // Density and temperature basis functions + Real si0t = hermite::psi0(xt); + Real si1t = hermite::psi1(xt) * dth; + Real si2t = hermite::psi2(xt) * dt2; + + Real si0mt = hermite::psi0(mxt); + Real si1mt = -hermite::psi1(mxt) * dth; + Real si2mt = hermite::psi2(mxt) * dt2; + + Real si0d = hermite::psi0(xd); + Real si1d = hermite::psi1(xd) * dd; + Real si2d = hermite::psi2(xd) * dd2; + + Real si0md = hermite::psi0(mxd); + Real si1md = -hermite::psi1(mxd) * dd; + Real si2md = hermite::psi2(mxd) * dd2; + + // derivatives of the weight functions + Real dsi0t = hermite::dpsi0(xt) * dti; + Real dsi1t = hermite::dpsi1(xt); + Real dsi2t = hermite::dpsi2(xt) * dth; + + Real dsi0mt = -hermite::dpsi0(mxt) * dti; + Real dsi1mt = hermite::dpsi1(mxt); + Real dsi2mt = -hermite::dpsi2(mxt) * dth; + + Real dsi0d = hermite::dpsi0(xd) * ddi; + Real dsi1d = hermite::dpsi1(xd); + Real dsi2d = hermite::dpsi2(xd) * dd; + + Real dsi0md = -hermite::dpsi0(mxd) * ddi; + Real dsi1md = hermite::dpsi1(mxd); + Real dsi2md = -hermite::dpsi2(mxd) * dd; + + // second derivatives of the weight functions + Real ddsi0t = hermite::ddpsi0(xt) * dt2i; + Real ddsi1t = hermite::ddpsi1(xt) * dti; + Real ddsi2t = hermite::ddpsi2(xt); + + Real ddsi0mt = hermite::ddpsi0(mxt) * dt2i; + Real ddsi1mt = -hermite::ddpsi1(mxt) * dti; + Real ddsi2mt = hermite::ddpsi2(mxt); + + // free energy + Real free_en = hermite::h5(fi, si0t, si1t, si2t, si0mt, si1mt, si2mt, si0d, si1d, si2d, + si0md, si1md, si2md); + // derivative with respect to temperature + Real df_t = hermite::h5(fi, dsi0t, dsi1t, dsi2t, dsi0mt, dsi1mt, dsi2mt, si0d, si1d, + si2d, si0md, si1md, si2md); + // second derivative with respect to temperature + Real df_tt = hermite::h5(fi, ddsi0t, ddsi1t, ddsi2t, ddsi0mt, ddsi1mt, ddsi2mt, si0d, + si1d, si2d, si0md, si1md, si2md); + + if (only_e) { // just set energy and return + eele[0] = Ye * free_en + T * (-df_t) * Ye; + eele[2] = T * (-df_tt) * Ye; + return; + } + + // Otherwise keep going + // derivative with respect to density + Real df_d = hermite::h5(fi, si0t, si1t, si2t, si0mt, si1mt, si2mt, dsi0d, dsi1d, dsi2d, + dsi0md, dsi1md, dsi2md); + + // derivative with respect to temperature and density + Real df_dt = hermite::h5(fi, dsi0t, dsi1t, dsi2t, dsi0mt, dsi1mt, dsi2mt, dsi0d, dsi1d, + dsi2d, dsi0md, dsi1md, dsi2md); + + // now get the pressure derivative with density, chemical potential, and + // electron positron number densities + // get the interpolation weight functions + si0t = hermite::xpsi0(xt); + si1t = hermite::xpsi1(xt) * dth; + + si0mt = hermite::xpsi0(mxt); + si1mt = -hermite::xpsi1(mxt) * dth; + + si0d = hermite::xpsi0(xd); + si1d = hermite::xpsi1(xd) * dd; + + si0md = hermite::xpsi0(mxd); + si1md = -hermite::xpsi1(mxd) * dd; + + // derivatives of weight functions + dsi0t = hermite::xdpsi0(xt) * dti; + dsi1t = hermite::xdpsi1(xt); + + dsi0mt = -hermite::xdpsi0(mxt) * dti; + dsi1mt = hermite::xdpsi1(mxt); + + dsi0d = hermite::xdpsi0(xd) * ddi; + dsi1d = hermite::xdpsi1(xd); + + dsi0md = -hermite::xdpsi0(mxd) * ddi; + dsi1md = hermite::xdpsi1(mxd); + + // Re-use cache + fi[0] = dpdf_[jat][iat]; + fi[1] = dpdf_[jat + 1][iat]; + fi[2] = dpdf_[jat][iat + 1]; + fi[3] = dpdf_[jat + 1][iat + 1]; + fi[4] = dpdft_[jat][iat]; + fi[5] = dpdft_[jat + 1][iat]; + fi[6] = dpdft_[jat][iat + 1]; + fi[7] = dpdft_[jat + 1][iat + 1]; + fi[8] = dpdfd_[jat][iat]; + fi[9] = dpdfd_[jat + 1][iat]; + fi[10] = dpdfd_[jat][iat + 1]; + fi[11] = dpdfd_[jat + 1][iat + 1]; + fi[12] = dpdfdt_[jat][iat]; + fi[13] = dpdfdt_[jat + 1][iat]; + fi[14] = dpdfdt_[jat][iat + 1]; + fi[15] = dpdfdt_[jat + 1][iat + 1]; + + // pressure derivative with respect to density + pele[1] = std::max( + 0.0, Ye * hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md)); + + // chemical potentials + fi[0] = ef_[jat][iat]; + fi[1] = ef_[jat + 1][iat]; + fi[2] = ef_[jat][iat + 1]; + fi[3] = ef_[jat + 1][iat + 1]; + fi[4] = eft_[jat][iat]; + fi[5] = eft_[jat + 1][iat]; + fi[6] = eft_[jat][iat + 1]; + fi[7] = eft_[jat + 1][iat + 1]; + fi[8] = efd_[jat][iat]; + fi[9] = efd_[jat + 1][iat]; + fi[10] = efd_[jat][iat + 1]; + fi[11] = efd_[jat + 1][iat + 1]; + fi[12] = efdt_[jat][iat]; + fi[13] = efdt_[jat + 1][iat]; + fi[14] = efdt_[jat][iat + 1]; + fi[15] = efdt_[jat + 1][iat + 1]; + + // electron chemical potential etaele + etaele[0] = hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md); + + // derivative with respect to density + Real x = hermite::h3(fi, si0t, si1t, si0mt, si1mt, dsi0d, dsi1d, dsi0md, dsi1md); + etaele[1] = Ye * x; + + // derivative with respect to temperature + etaele[2] = hermite::h3(fi, dsi0t, dsi1t, dsi0mt, dsi1mt, si0d, si1d, si0md, si1md); + + // derivative with respect to abar and zbar + etaele[3] = -x * De * Ytot; + etaele[4] = x * rho * Ytot; + + // look in the number density table only once + fi[0] = xf_[jat][iat]; + fi[1] = xf_[jat + 1][iat]; + fi[2] = xf_[jat][iat + 1]; + fi[3] = xf_[jat + 1][iat + 1]; + fi[4] = xft_[jat][iat]; + fi[5] = xft_[jat + 1][iat]; + fi[6] = xft_[jat][iat + 1]; + fi[7] = xft_[jat + 1][iat + 1]; + fi[8] = xfd_[jat][iat]; + fi[9] = xfd_[jat + 1][iat]; + fi[10] = xfd_[jat][iat + 1]; + fi[11] = xfd_[jat + 1][iat + 1]; + fi[12] = xfdt_[jat][iat]; + fi[13] = xfdt_[jat + 1][iat]; + fi[14] = xfdt_[jat][iat + 1]; + fi[15] = xfdt_[jat + 1][iat + 1]; + + // electron + positron number densities + xne[0] = hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md); + + // derivative with respect to density + x = std::max(0.0, + hermite::h3(fi, si0t, si1t, si0mt, si1mt, dsi0d, dsi1d, dsi0md, dsi1md)); + xne[1] = Ye * x; + + // derivative with respect to temperature + xne[2] = hermite::h3(fi, dsi0t, dsi1t, dsi0mt, dsi1mt, si0d, si1d, si0md, si1md); + + // derivative with respect to abar and zbar + xne[3] = -x * De * Ytot; + xne[4] = x * rho * Ytot; + + // the desired electron-positron thermodynamic quantities + + // dpepdd at high temperatures and low densities is below the + // floating point limit of the subtraction of two large terms. + // since dpresdd doesn't enter the maxwell relations at all, use the + // bicubic interpolation done above instead of this one + x = De * De; + pele[0] = x * df_d; + pele[2] = x * df_dt; + // pele[1] = ye * (x * df_dd + 2.0 * din * df_d); + s = pele[1] / Ye - 2.0 * De * df_d; + pele[3] = -Ytot * (2.0 * pele[0] + s * De); + pele[4] = rho * Ytot * (2.0 * De * df_d + s); + + x = Ye * Ye; + sele[0] = -df_t * Ye; + sele[2] = -df_tt * Ye; + sele[1] = -df_dt * x; + sele[3] = Ytot * (Ye * df_dt * De - sele[0]); + sele[4] = -Ytot * (Ye * df_dt * rho + df_t); + + eele[0] = Ye * free_en + T * sele[0]; + eele[2] = T * sele[2]; + eele[1] = x * df_d + T * sele[1]; + eele[3] = -Ye * Ytot * (free_en + df_d * De) + T * sele[3]; + eele[4] = Ytot * (free_en + Ye * df_d * rho) + T * sele[4]; +} + }; // namespace singularity #endif // SPINER_USE_HDF From 475e38346a94bb8b910c2313595085f13c05216c Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Tue, 20 Jun 2023 14:46:45 -0600 Subject: [PATCH 03/65] add getondevice and finalize --- singularity-eos/eos/eos_helmholtz.hpp | 56 ++++++++++++++++++++++++++- 1 file changed, 55 insertions(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 090b0ec1ae..0d60858a08 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -67,7 +67,8 @@ class Helmholtz : public EosBase { InitSpeciesFile_(species_file); } - + inline Helmholtz GetOnDevice(); + inline void Finalize(); private: inline void InitDataFile_(const std::string &filename); @@ -168,6 +169,59 @@ inline void Helmholtz::InitDataFile_(const std::string &filename) { } } +inline Helmholtz Helmholtz::GetOnDevice() { + Helmholtz other; + other.rho_ = Spiner::getOnDeviceDataBox(rho_); + other.T_ = Spiner::getOnDeviceDataBox(T_); + other.f_ = Spiner::getOnDeviceDataBox(f_); + other.fd_ = Spiner::getOnDeviceDataBox(fd_); + other.ft_ = Spiner::getOnDeviceDataBox(ft_); + other.fdd_ = Spiner::getOnDeviceDataBox(fdd_); + other.ftt_ = Spiner::getOnDeviceDataBox(ftt_); + other.fdt_ = Spiner::getOnDeviceDataBox(fdt_); + other.fdd_ = Spiner::getOnDeviceDataBox(fdd_); + other.fdtt_ = Spiner::getOnDeviceDataBox(fdtt_); + other.fddtt_ = Spiner::getOnDeviceDataBox(fddtt_); + other.dpdf_ = Spiner::getOnDeviceDataBox(dpdf_); + other.dpdfd_ = Spiner::getOnDeviceDataBox(dpdfd_); + other.dpdft_ = Spiner::getOnDeviceDataBox(dpdft_); + other.dpdfdt_ = Spiner::getOnDeviceDataBox(dpdfdt_); + other.ef_ = Spiner::getOnDeviceDataBox(ef_); + other.efd_ = Spiner::getOnDeviceDataBox(efd_); + other.eft_ = Spiner::getOnDeviceDataBox(eftf_); + other.efdtf_ = Spiner::getOnDeviceDataBox(efdt_); + other.xf_ = Spiner::getOnDeviceDataBox(xf_); + other.xfd_ = Spiner::getOnDeviceDataBox(xfd_); + other.xft_ = Spiner::getOnDeviceDataBox(xft_); + other.xfdt_ = Spiner::getOnDeviceDataBox(xfdt_); +} + +inline void Helmholtz::Finalize() { + rho_.finalize(); + T_.finalize(); + f_.finalize(); + fd_.finalize(); + ft_.finalize(); + fdd_.finalize(); + ftt_.finalize(); + fdt_.finalize(); + fdd_.finalize(); + fdtt_.finalize(); + fddtt_.finalize(); + dpdf_.finalize(); + dpdfd_.finalize(); + dpdft_.finalize(); + dpdfdt_.finalize(); + ef_.finalize(); + efd_.finalize(); + eft_.finalize(); + efdtf_.finalize(); + xf_.finalize(); + xfd_.finalize(); + xft_.finalize(); + xfdt_.finalize(); +} + PORTABLE_INLINE_FUNCTION void Helmholtz::GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, Real lDe, double pele[5], double eele[5], double sele[5], double etaele[5], From 8a8c64235bb914898514385f608726ca756f81c2 Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Fri, 23 Jun 2023 14:54:19 -0600 Subject: [PATCH 04/65] intermediate commit --- singularity-eos/eos/eos_helmholtz.hpp | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 0d60858a08..2cca51b621 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -55,8 +55,9 @@ class Helmholtz : public EosBase { Ye = 0, // electron fraction zbar/abar Ytot = 1, // 1.0 / abar De = 2, // Electron density rho * Ye - lDe = 3 - }; // log10(De) + lDe = 3, // log10(De) + lT = 4 // log10 temperature. used for root finding. + }; }; inline Helmholtz(const std::string &filename) { From c7592e1d9cf40d0afa5a17aafe95cb75259c794d Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Wed, 28 Jun 2023 10:35:13 -0600 Subject: [PATCH 05/65] added ideal gas, radiation components, and coulomb corrections. Start threading in root finding. Almost there. Of course no guarantee it compiles. --- singularity-eos/eos/eos_helmholtz.hpp | 669 ++++++++++++++++++++++---- 1 file changed, 584 insertions(+), 85 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 2cca51b621..20b146d1de 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -21,6 +21,9 @@ #ifndef _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ #define _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ + +// TODO(JMM): Currently spiner and HDf5 are entangled. But really this +// model should depend only on spiner and NOT HDF5. #ifdef SPINER_USE_HDF #include @@ -40,97 +43,114 @@ #include #include #include +#include // spiner #include +#define ROOT_FINDER (RootFinding1D::regula_falsi) + namespace singularity { using namespace eos_base; -class Helmholtz : public EosBase { - public: - // These are the indexes in the lambda array - struct Lambda { - enum Index { - Ye = 0, // electron fraction zbar/abar - Ytot = 1, // 1.0 / abar - De = 2, // Electron density rho * Ye - lDe = 3, // log10(De) - lT = 4 // log10 temperature. used for root finding. - }; - }; - - inline Helmholtz(const std::string &filename) { - InitDataFile_(filename); +// TODO(JMM): Maybe want to move these utility functions into something like an +// ASCII-utils file. Worth considering at some later date. +namespace HelmUtils { +using DataBox = HelmUtils::DataBox; +constexpr std::size_t NDERIV = 5; +enum DERIV { VAL = 0, DDR = 1, DDT = 2, DDA = 3, DDZ = 4 }; +// Tail-recursive resize tables +inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Real r0max, + DataBox &db) { + db.resize(n1, n0); // set shape and log bounds + db.setRange(1, r1min, r1max, n1); + db.setRange(0, r0min, r0max, n0); +} +template +inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Real r0max, + DataBox &head, Args &&...tail) { + ResizeTables(n1, r1min, r1max, n0, r0min, r0max, head); + ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tail)...); +} +// Tail-recursive read one i,j from text file +template +inline void Read(std::ifstream &file, Msg_t &error_msg, T &var) { + if (!(file >> var)) { + file.close(); // is this needed? + PORTABLE_ALWAYS_THROW_OR_ABORT(error_msg); } - inline Helmholtz(const std::string &data_file, const std::string &species_file) { - InitDataFile_(data_life); - InitSpeciesFile_(species_file); +} +template +inline void Read(std::ifstream &file, Msg_t &error_msg, T &head, Args &&...tail) { + Read(file, msg, head); + Read(file, msg, std::forward(tail)...); +} +// Read all i,j from text file +template +inline void SetTablesFromFile(std::ifstream &file, int n1, Real r1min, Real r1max, int n0, + Real r0min, Real r0max, Args &&...tables) { + ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tables)...); + for (int j = 0; j < NTEMP; ++j) { + for (int i = 0; i < NTEMP; ++i) { + std::stringstream error_msg; + msg << "Error reading the Helmholtz free energy table at j = " << j << ", i = " << i + << std::endl; + Read(file, error_msg, tables(j, i)...); + } } +} +} // namespace HelmUtils + +class HelmholtzElectrons { + public: + // may change with time + using DataBox = HelmUtils::DataBox; + constexpr std::size_t NDERIV = HelmUtils::NDERIV; + + inline HelmholtzElectrons(const std::string &filename) { InitDataFile_(filename); } - inline Helmholtz GetOnDevice(); + inline HelmholtzElectrons GetOnDevice(); inline void Finalize(); + PORTABLE_INLINE_FUNCTION + void GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Ytot, Real De, Real lDe, + Real pele[NDERIV], Real eele[NDERIV], Real sele[NDERIV], + Real etaele[NDERIV], Real xne[NDERIV], + bool only_e = false) const; + + // We COULD just expose the const vars under the hood, but I think + // this is safer if, for example, the table size ever changes under + // the hood. + PORTABLE_FORCEINLINE_FUNCTION + Real lTMin() const { return lTMin_; } + PORTABLE_FORCEINLINE_FUNCTION + Real lTMax() const { return lTMax_; } + PORTABLE_FORCEINLINE_FUNCTION + Real lRhoMin() const { return lRhoMin_; } + PORTABLE_FORCEINLINE_FUNCTION + Real lRhoMax() const { return lRhoMax_; } + PORTABLE_FORCEINLINE_FUNCTION + Real rhoMin() const { return rhoMin_; } + PORTABLE_FORCEINLINE_FUNCTION + Real rhoMax() const { return rhoMax_; } + PORTABLE_FORCEINLINE_FUNCTION + std::size_t numTemp() const { return NTEMP; } + PORTABLE_FORCEINLINE_FUNCTION + std::size_t numRho() const { return NRHO; } + private: inline void InitDataFile_(const std::string &filename); - inline void InitSpeciesFile_(const std::string &filename) { - PORTABLE_ALWAYS_THROW_OR_ABORT("Stub"); - } - - PORTABLE_INLINE_FUNCTION - void GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, Real lDe, - double pele[5], double eele[5], double sele[5], double etaele[5], - double xne[5], bool only_e = false) const; - - // Tail-recursive resize tables - inline void ResizeTables_(Spiner::DataBox &db) { - db.resize(NTEMP, NRHO); // set shape and log bounds - db.setRange(1, lTMin_, lTMax_, NTEMP); - db.setRange(0, lRhoMin_, lRhoMax_, NRHO); - } - template - inline void ResizeTables_(Spiner::DataBox &head, Args &&...tail) { - ResizeTables_(head); - ResizeTables_(std::forward(tail)...); - } - // Tail-recursive read one i,j from text file - template - inline void Read_(std::ifstream &file, Msg_t &error_msg, T &var) { - if (!(file >> var)) { - file.close(); // is this needed? - PORTABLE_ALWAYS_THROW_OR_ABORT(error_msg); - } - } - template - inline void Read_(std::ifstream &file, Msg_t &error_msg, T &head, Args &&...tail) { - Read_(file, msg, head); - Read_(file, msg, std::forward(tail)...); - } - // Read all i,j from text file - template - inline void SetTablesFromFile_(std::ifstream &file, Args &&...tables) { - ResizeTables(std::forward(tables)...); - for (int j = 0; j < NTEMP; ++j) { - for (int i = 0; i < NTEMP; ++i) { - std::stringstream error_msg; - msg << "Error reading the Helmholtz free energy table at j = " << j - << ", i = " << i << std::endl; - Read_(file, error_msg, tables(j, i)...); - } - } - } // rho and T caches (to go between log/linear scale) - Spiner::DataBox rho_, T_; + DataBox rho_, T_; // Free energy and derivatives - Spiner::DataBox f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_; + DataBox f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_; // derivatives - Spiner::DataBox dpdf_, dpdfd_, dpdft_, dpdfdt_; + DataBox dpdf_, dpdfd_, dpdft_, dpdfdt_; // chemical potential - Spiner::DataBox ef_, efd_, eft_, efdt_; + DataBox ef_, efd_, eft_, efdt_; // number density - Spiner::DataBox xf_, xfd_, xft_, xfdt_; - // TODO(JMM): Add species file + DataBox xf_, xfd_, xft_, xfdt_; constexpr std::size_t NTEMP = 101; constexpr std::size_t NRHO = 271; @@ -149,13 +169,202 @@ class Helmholtz : public EosBase { const Real rhoMax_ = math_utils::pow10(rhoMax_); }; -inline void Helmholtz::InitDataFile_(const std::string &filename) { +// Currently trivial. But we may want to swap this out at some point, +// which is why I made it a class. We may also want to write a full +// radiation EOS at some point. +class HelmRad { + public: + constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.670374419e-5; // erg/cm^2/s/K^4 + constexpr Real CL = 2.998e10; // speed of light. cm/s + constexpr Real SIG_O_C = STEFAN_BOLTZMANN_CONSTANT / CL; + constexpr Real PREFACTOR = (4. / 3.) * SIG_O_C; + constexpr std::size_t NDERIV = HelmUtils::NDERIV; + + HelmRad() = default; + HelmRad GetOnDevice() { return *this; } + void Finalize() {} + + PORTABLE_INLINE_FUNCTION + void GetFromDensityTemperature(const Real rho, const Real temp, Real prad[NDERIV], + Real erad[NDERIV], Real srad[NDERIV]) const; +}; + +// TODO(JMM): Use singularity's built in ideal gas EOS +// rather than this hardcoded one +class HelmIon { + public: + constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs + constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + constexpr Real KBNA = KB * NA; + constexpr REAL KBi = 1.0 / KB; + constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ + constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ + const Real LSWOT15 = + 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); + constexpr std::size_t NDERIV = HelmUtils::NDERIV; + + HelmIon() = default; + HelmIon GetOnDevice() { return *this; } + void Finalize() {} + + PORTABLE_INLINE_FUNCTION + void GetFromDensityTemperature(const Real rho, const Real temp, const Real y, + const Real ytot, const Real xni, const Real dxnidd, + const Real dxnida, Real pion[NDERIV], Real eion[NDERIV], + Real sion[NDERIV]) const; +}; + +// Coulomb corrections. Again extraneous to make it a class. But +// perhaps that will make it easier to swap out down the line. +class HelmCoulomb { + public: + constexpr Real ELECTRON_CHARGE_ESU = 4.80320427e-10; + constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs + constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + constexpr Real KBNA = KB * NA; + constexpr Real M_LN10 = 2.30258509299404568401799145468; /* ln(10) */ + constexpr std::size_t NDERIV = HelmUtils::NDERIV; + + HelmCoulomb() = default; + HelmCoulomb GetOnDevice() { return *this; } + void Finalize() {} + + PORTABLE_INLINE_FUNCTION + void GetFromDensityTemperature(const Real rho, const Real temp, const Real ytot, + const Real abar, const Real zbar, const Real xni, + const Real dxnidd, const Real dxnida, Real pcoul[NDERIV], + Real ecoul[NDERIV], Real scoul[NDERIV]) const; + + private: + template + PORTABLE_INLINE_FUNCTION void butterworth(Real freq, double cfreq, Real &g, + Real &dgdf) const { + g = robust::ratio(1.0, 1.0 + math_utils::pow<2 * n>(robust::ratio(freq, cfreq))); + dgdf = robust::ratio(-math_utils::pow<2>(g) * 2 * n, math_utils<2 * n>(cfreq)) * + math_utils::pow<2 * n - 1>(freq); + } +}; + +// The reason to separate out the full Helmholtz EOS and the +// electrons bit is that this should make things easier to +// mix/match/compose in the future. For example if more advanced ion +// corrections are desired. +class Helmholtz : public EosBase { + public: + // These are the indexes in the lambda array + struct Lambda { + enum Index { + Abar = 0, // Average atomic mass + Zbar = 1, // Average atomic number + lT = 4 // log10 temperature. used for root finding. + }; + }; + constexpr std::size_t NDERIV = HelmUtils::NDERIV; + + // Options struct. You can create one of these and modify it to set + // options at initialization + struct Options { + bool ENABLE_RAD = true; + bool ENABLE_GAS = true; + bool ENABLE_COULOMB_CORRECTIONS = true; + bool GAS_IONIZED = true; + bool GAS_DEGENERATE = true; + } + + Helmholtz(const std::string &filename) + : electrons_(filename) { + } + Helmholtz(const std::string &filename, Options options) + : electrons_(filename), options_(options) {} + inline Helmholtz GetOnDevice() { + Helmholtz other; + other.rad_ = rad_.GetOnDevice(); + other.ions_ = ions_.GetOnDevice(); + other.coul_ = coul_.GetOnDevice(); + other.electrons_ = electrons_.GetOnDevice(); + other.options_ = options_; + return other; + } + inline void Finalize() { + rad_.Finalize(); + ions_.Finalize(); + coul_.Finalize(); + electrons_.Finalize(); + } + + void GetMassFractions(const Real rho, const Real temp, const Real ytot, Real &xni, + Real &dxnidd, Real &dxnida) const { + xni = ions_.NA * ytot * rho; + dxnidd = ions_.NA * ytot; + dxnida = -xni * ytot; + } + + private: + PORTABLE_INLINE_FUNCTION + Real lTAnalytic_(const Real rho, const Real e, const Real ni, const Real ne) const { + return (2.0 / 3.0) * robust::ratio(e * rho, ni + ne) * ions_.KBi; + } + + PORTABLE_INLINE_FUNCTION + void GetFromDensityLogTemperature_( + const Real rho, const Real lT, const Real abar, const Real zbar, const Real ye, + const Real ytot, const Real ywot, const Real De, const Real lDe, Real p[NDERIV], + Real e[NDERIV], Real s[NDERIV], Real etaele[NDERIV], Real nep[NDERIV], + // TODO(JMM): Decide which of the quantities below to keep + const bool only_e = false) const; + + PORTABLE_INLINE_FUNCTION + Real lTFromRhoSie_(const Real rho, const Real e, const Real abar, const Real zbar, + const Real ye, const Real ytot, const Real ywot, const Real De, + const Real lDe, Real *lambda) const { + const Real abari = robust::ratio(1.0, abar); + const Real ni = abari * rho * ions_.NA; + const Real ne = zbar * ni; + Real lT; + + if (options_.ENABLE_RAD || options_.GAS_DEGENERATE || + options_.ENABLE_COULOMB_CORRECTIONS) { + Real lTguess = lambda[Lambda::lT]; + if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { + lTguess = lTAnalytic(rho, e, ni, ne); + } + auto © = *this; // stupid C++17 workaround + auto status = ROOT_FINDER([&](Real lT) { + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + copy.GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep, true); + return e[VAR]; + }, e, lTguess, electrons_.lTMin(), electrons_.lTMax(), ROOT_THRESH, ROOT_THRESH, lT); + if (status != Rootfinding1D::Status::SUCCESS) { + lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + } + } else { + lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + } + lambda[Lambda::lT] = lT; + return lT; + } + + constexpr Real ROOT_THRESH = 1e-14; + Options options_; + HelmRad rad_; + HelmIon ions_; + HelmCoulomb coul_; + HelmholtzEelctrons electrons_; +}; + +inline void HelmholtzElectrons::InitDataFile_(const std::string &filename) { + using namespace HelmUtils; std::ifstream file(filename); - PORTABLE_ALWAYS_REQUIRE(file.is_open(), "Helmholtz file " + filename + " not found!"); - SetTablesFromFile_(file, f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_); - SetTablesFromFile_(file, dpdf_, dpdfd_, dpdft_, dpdfdt_); - SetTablesFromFile_(file, ef_, efd_, eft_, efdt_); - SetTablesFromFile_(file, xf_, xfd_, xft_, xfdt_); + PORTABLE_ALWAYS_REQUIRE(file.is_open(), + "HelmholtzElectrons file " + filename + " not found!"); + SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, f_, fd_, ft_, + fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_); + SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, dpdf_, dpdfd_, + dpdft_, dpdfdt_); + SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, ef_, efd_, + eft_, efdt_); + SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, xf_, xfd_, + xft_, xfdt_); file.close(); auto &lRhoRange = f_.range(0); @@ -170,8 +379,8 @@ inline void Helmholtz::InitDataFile_(const std::string &filename) { } } -inline Helmholtz Helmholtz::GetOnDevice() { - Helmholtz other; +inline HelmholtzElectrons HelmholtzElectrons::GetOnDevice() { + HelmholtzElectrons other; other.rho_ = Spiner::getOnDeviceDataBox(rho_); other.T_ = Spiner::getOnDeviceDataBox(T_); other.f_ = Spiner::getOnDeviceDataBox(f_); @@ -197,7 +406,7 @@ inline Helmholtz Helmholtz::GetOnDevice() { other.xfdt_ = Spiner::getOnDeviceDataBox(xfdt_); } -inline void Helmholtz::Finalize() { +inline void HelmholtzElectrons::Finalize() { rho_.finalize(); T_.finalize(); f_.finalize(); @@ -224,15 +433,16 @@ inline void Helmholtz::Finalize() { } PORTABLE_INLINE_FUNCTION -void Helmholtz::GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, Real lDe, - double pele[5], double eele[5], double sele[5], double etaele[5], - double xne[5], bool only_e = false) const { +void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Ytot, + Real De, Real lDe, Real pele[NDERIV], + Real eele[NDERIV], Real sele[NDERIV], + Real etaele[NDERIV], Real xne[NDERIV], + bool only_e = false) const { // Bound lRho, lT rho = std::min(rhoMax_, std::max(rhoMin_, rho)); De = std::min(rhoMax_, std::max(rhoMin_, De)); lDe = std::min(lRhoMax_, std::max(lRhoMin_, lDe)); - T = std::min(TMax_, std::max(TMin_, T)); - lT = std::min(lTMax_, std::max(lTMin_, lT)); + Real T = std::pow10(lT); // Find central indexes in table auto &lRhoRange = f_.range(0); @@ -505,7 +715,296 @@ void Helmholtz::GetAll_(Real rho, Real T, Real lT, Real Ye, Real Ytot, Real De, eele[4] = Ytot * (free_en + Ye * df_d * rho) + T * sele[4]; } +PORTABLE_INLINE_FUNCTION +void HelmRad::GetFromDensityTemperature(const Real rho, const Real temp, + Real prad[NDERIV], Real erad[NDERIV], + Real srad[NDERIV]) const { + using namespace HelmUtils; + const Real rhoi = robust::ratio(1.0, rho); + const Real tempi = robust::ratio(1.0, temp); + const Real T3 = math_utils::pow<3>(temp); + const Real T4 = T3 * T; + // pressure + Real P = PREFACTOR * T4; + Real dPdT = 4.0 * PREFACTOR * T3; + prad[VAL] = P; + prad[DDR] = 0; + prad[DDT] = dPdT; + prad[DDA] = 0; + prad[DDZ] = 0; + + // free energy + const Real PoR = P * rhoi; + Real e = 3.0 * PoR; + Real dedR = -e * rhoi; + Real dedT = 3.0 * dPdT * rhoi; + erad[VAL] = e; + erad[DDR] dedR; + erad[DDT] = dedT; + erad[DDA] = 0; + erad[DDZ] = 0; + + // entropy + constexpr Real dPdR = 0; + Real s = (PoR + e) * tempi; + Real dsdR = ((dPdR - PoR) * rhoi + dEdR) * tempi; + Real dsdT = (dPdT * rhoi + dedT - s) * tempi; + srad[VAL] = s; + srad[DDR] = dsdR; + srad[DDT] = dsdT; + srad[DDA] = 0; + srad[DDZ] = 0; +} + +PORTABLE_INLINE_FUNCTION +void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const Real y, + const Real ytot, const Real xni, + const Real dxnidd, const Real dxnida, + Real pion[NDERIV], Real eion[NDERIV], + Real sion[NDERIV]) const { + const Real kbT = KB * temp; + // pressure + P = xni * kbT; + dPdR = dxnidd * kbT; + dPdT = xni * KB; + dPdA = dxnida * kbT; + pion[VAL] = P; + pion[DDR] = dPdR; + pion[DDT] = dPdT; + pion[DDA] = dPdA; + pion[DDZ] = 0; + + // energy + const Real rhoi = robust::ratio(1.0, rho); + const Real PoR = P * rhoi; + e = 1.5 * PoR; + dedR = (1.5 * dPdR - e) * rhoi; + dedT = 1.5 * dPdT * rhoi; + dedA = 1.5 * dPdA * rhoi; + eion[VAL] = e; + eion[DDR] = dedR; + eion[DDT] = dedT; + eion[DDA] = dedA; + eion[DDZ] = 0; + + // entropy + const Real tempi = robust::ratio(1.0, temp); + const Real KBNAY = KBNA * ytot; + s = (PoR + e) * itemp + KBNAY * y; + dsdR = (dPdR * rhoi - P * rhoi * rhoi + dedR) * tempi - KBNAY * rhoi; + dsdT = (dPdT * rhoi + dedT) * tempi - (PoR + e) * tempi * tempi + 1.5 * KBNAY * tempi; + dsdA = (dPdA * rhoi + dedA) * tempi + KBNAY * ytot * (2.5 - y); + sion[VAL] = s; + sion[DDR] = dsdR; + sion[DDT] = dsdT; + sion[DDA] = dsdA; + sion[DDZ] = 0; +} + +PORTABLE_INLINE_FUNCTION +void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, + const Real ytot, const Real abar, + const Real zbar, const Real xni, + const Real dxnidd, const Real dxnida, + Real pcoul[NDERIV], Real ecoul[NDERIV], + Real scoul[NDERIV]) const { + // fitting parameters + constexpr Real a1 = -0.898004; + constexpr Real b1 = 0.96786; + constexpr Real c1 = 0.220703; + constexpr Real d1 = -0.86097; + constexpr Real e1 = 2.5269; + constexpr Real a2 = 0.29561; + constexpr Real b2 = 1.9885; + constexpr Real c2 = 0.288675; + + // TODO(JMM): This is computed right out of the ion class. should + // this be unified with the ion code? + const Real kbT = KB * temp; + const Real pion = xni * kbT; + const Real dpiondd = dxnidd * kbT; + const Real dpionda = dxnida * kbT; + + constexpr Real four_thirds = 4.0 / 3.0; + constexpr Real ftpi = four_thirds * M_PI; + const Real s = ftpi * xni; + const Real dsdd = ftpi * dxnidd; + const Real dsda = ftpi * dxnida; + + constexpr Real one_third = 1.0 / 3.0; + const Real si = robust::ratio(1.0, s); + const Real lami = robust::ratio(1.0, std::cbrt(s)); + const Real lamidd = -lami * one_third * dsdd * si; + const Real lamida = -lami * one_third * dsda * si; + + const Real plasg = math_utils::pow<2>(ELECTRON_CHARGE_ESU * zbar) / (kt * lami); + const Real plasg_o_lami = robust::ratio(plasg, lami); + const Real plasgdd = -plasg_o_lami * lamidd; + const Real plasgda = -plasg_o_lami * lamida; + const Real plasgdt = -robust::ratio(plasg, temp); + const Real plasgdz = 2.0 * robust::ratio(plasg, zbar); + + // TODO(JMM): Might be able to vectorize this with masking but + // probably not worth it. + const Real abari = robust::ratio(1, abar); + if (plasg >= 0) { + const Real x = std::sqrt(std::sqrt(plasg)); + Real y = KBNA * ytot; + const Real c1_o_x = robust::ratio(c1, x); + ecoul[VAL] = y * temp * (a1 * plasg + b1 * x + c1_o_x + d1); + pcoul[VAL] = one_third * rho * ecoul[0]; + scoul[VAL] = -y * (3.0 * b1 * x - 5.0 * c1_o_x + d1 * (std::log(plasg) - 1.0) - e1); + + y = KBNA * temp * ytot * (a1 + robust::ratio(0.25, plasg) * (b1 * x - c1_o_x)); + ecoul[DDR] = y * plasgdd; + ecoul[DDT] = y * plasgdt + robust::ratio(ecoul[0], temp); + ecoul[DDA] = y * plasgda - ecoul[0] * abari; + ecoul[DDZ] = y * plasgdz; + + y = one_third * rho; + pcoul[DDR] = one_third * ecoul[0] + y * ecoul[1]; + pcoul[DDT] = y * ecoul[2]; + pcoul[DDA] = y * ecoul[3]; + pcoul[DDZ] = y * ecoul[4]; + + y = -KBNA * plasg * abari * (0.75 * b1 * x + 1.25 * c1_o_x + d1); + scoul[DDR] = y * plasgdd; + scoul[DDT] = y * plasgdt; + scoul[DDA] = y * plasgda - scoul[0] * abari; + scoul[DDZ] = y * plasgdz; + } else { + const Real x = plasg * std::sqrt(std::abs(plasg)); + const Real y = std::pow(plasg, b2); + const Real z = c2 * x - one_third * a2 * y; + + const Real plasgi = robust::ratio(1., plasg); + const Real rhoi = robust::ratio(1.0, rho); + + pcoul[VAL] = -pion * z; + ecoul[VAL] = 3.0 * pcoul[0] * rhoi; + scoul[VAL] = -KBNA * abari * (c2 * x - a2 * robust::ratio(b2 - 1.0, b2) * y); + + s = 1.5 * c2 * x * plasgi - one_third * a2 * b2 * y * plasgi; + pcoul[DDR] = -dpiondd * z - pion * s * plasgdd; + pcoul[DDT] = -dpiondt * z - pion * s * plasgdt; + pcoul[DDA] = -dpionda * z - pion * s * plasgda; + pcoul[DDZ] = -dpiondz * z - pion * s * plasgdz; + + s = 3.0 * rhoi; + ecoul[DDR] = s * pcoul[1] - ecoul[0] * rhoi; + ecoul[DDT] = s * pcoul[2]; + ecoul[DDA] = s * pcoul[3]; + ecoul[DDZ] = s * pcoul[4]; + + s = -KBNA * abari * plasgi * (1.5 * c2 * x - a2 * (b2 - 1.0) * y); + scoul[DDR] = s * plasgdd; + scoul[DDT] = s * plasgdt; + scoul[DDA] = s * plasgda - scoul[0] * abari; + scoul[DDZ] = s * plasgdz; + } + + // butterworth bomb proofing by ^_^ : beware the butterbomb + Real g_r, dgdf_r, g_t, dgdf_t; + butterworth<12>(log10(temp) - 4.5, 3.0, g_r, dgdf_r); + butterworth<12>(log10(rho) + 1.0, 6.0, g_t, dgdf_t); + + // derivatives (and conversion from logarithmic derivative) + Real gain = (1.0 - g_t * g_r); + Real dgaindt = -robust::ratio(g_r * dgdf_t, temp * M_LN10); + Real dgaindd = -robust::ratio(g_t * dgdf_r, rho * M_LN10); + + // straight up gain + pcoul[VAL] = pcoul[VAL] * gain; + ecoul[VAL] = ecoul[VAL] * gain; + scoul[VAL] = scoul[VAL] * gain; + + // derivatives via chain rule + pcoul[DDR] = gain * pcoul[DDR] + robust::ratio(pcoul[VAL] * dgaindd, gain); + pcoul[DDT] = gain * pcoul[DDT] + robust::ratio(pcoul[VAL] * dgaindt, gain); + pcoul[DDA] = gain * pcoul[DDA]; + pcoul[DDZ] = gain * pcoul[DDZ]; + + ecoul[DDR] = gain * ecoul[DDR] + robust::ratio(ecoul[VAL] * dgaindd, gain); + ecoul[DDT] = gain * ecoul[DDT] + robust::ratio(ecoul[VAL] * dgaindt, gain); + ecoul[DDA] = gain * ecoul[DDA]; + ecoul[DDZ] = gain * ecoul[DDZ]; + + scoul[DDR] = gain * scoul[DDR] + robust::ratio(scoul[VAL] * dgaindd, gain); + scoul[DDT] = gain * scoul[DDT] + robust::ratio(scoul[VAL] * dgaindt, gain); + scoul[DDA] = gain * scoul[DDA]; + scoul[DDZ] = gain * scoul[DDZ]; +} + +PORTABLE_INLINE_FUNCTION +void Helmholtz::GetFromDensityLogTemperature_( + const Real rho, const Real lT, const Real abar, const Real zbar, const Real ye, + const Real ytot, const Real ywot, const Real De, const Real lDe, Real p[NDERIV], + Real e[NDERIV], Real s[NDERIV], Real etaele[NDERIV], Real nep[NDERIV], + // TODO(JMM): Decide which of the quantities below to keep + const bool only_e = false) const { + double prad[NDERIV] = {0}, pion[NDERIV] = {0}, pele[NDERIV] = {0}, pcoul[NDERIV] = {0}; + double erad[NDERIV] = {0}, eion[NDERIV] = {0}, eele[NDERIV] = {0}, ecoul[NDERIV] = {0}; + double srad[NDERIV] = {0}, sion[NDERIV] = {0}, sele[NDERIV] = {0}, scoul[NDERIV] = {0}; + // electron chemical potential and electron + positron number density + for (int i = 0; i < 5; ++i) { + etaele[i] = nep[i] = 0; + } + + const Real log10e = std::log10(e); + const Real lnT = lT / log10e; + Real T = std::pow10(lT); + if (options_.ENABLE_RAD) { + rad_.GetFromDensityTemperature(rho, T, prad, erad, srad); + } + if (options_.ENABLE_GAS) { + // If gas is not ionized, just use ideal gas for ions + // If gas is ionized but the electrons are not degenerate, modify ideal gas + // coefficient If gas is ionized and the electrons are degenerate, do ideal gas for + // ions and add degerate fermi gas + bool do_unmodified_ions = + (options_.GAS_IONIZED && options_.GAS_DEGENERATE) || !options_.GAS_IONIZED; + if (do_unmodified_ions) { // ionized plasma. ions and electrons treated separately + Real xni, dxnidd, dxnida; + GetMassFractions(rho, T, ytot, xni, dxnidd, dxnida); + const Real y = ywot + ions_.LSWOT15 + 1.5 * lnT; + ions_.GetFromDensityTemperature(rho, T, y, ytot, xni, dxnidd, dxnida, pion, eion, + sion); + } else { // modify ideal gas to include ions + electrons + const Real abar_ion = robust::ratio(abar, zbar + 1); + const Real zbar_ion = zbar; + const Real ytot_ion = robust::ratio(1.0, abar_ion); + const Real ywot_ion = robust::ratio( + std::log(abar_ion * abar_ion * std::sqrt(abar_ion)), rho * ions_.NA); + const Real y_ion = ywot_ion + ions_.LSWOT15 + 1.5 * lnT; + Real xni, dxnidd, dxnida; + GetMassFractions(rho, T, ytot_ion, xni, dxnidd, dxnida); + ions_.GetFromDensityTemperature(rho, T, y_ion, ytot_ion, xni, dxnidd, dxnida, pion, + eion, sion); + } + if (options_.GAS_DEGENERATE) { // treat degenerate electron gas + electrons_.GetFromDensityTemperature(rho, lT, ye, ytot, De, lDe, pele, eele, sele, + etaele, nep, onle_e); + if (options_.ENABLE_COULOMB_CORRECTIONS) { + Real xni, dxnidd, dxnida; + GetMassFractions(rho, T, ytot, xni, dxnidd, dxnida); + coul_.GetFromDensityTemperature(rho, T, ytot, abar, zbar, xni, dxnidd, dxnida, + pcoul, ecoul, scoul); + } + } + } + for (int i = 0; i < 5; ++i) { + e[i] = erad[i] + eion[i] + eele[i] + ecoul[i]; + } + if (!only_e) { + for (int i = 0; i < 5; ++i) { + p[i] = prad[i] + pion[i] + pele[i] + pcoul[i]; + s[i] = srad[i] + sion[i] + sele[i] + scoul[i]; + } + } +} + }; // namespace singularity +#undef ROOT_FINDER #endif // SPINER_USE_HDF #endif // _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ From 5d30090917980c8b0632668ce01dc1784ce150a6 Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Wed, 28 Jun 2023 17:32:16 -0600 Subject: [PATCH 06/65] mostly filled in now --- singularity-eos/eos/eos_helmholtz.hpp | 242 +++++++++++++++++++++++--- 1 file changed, 215 insertions(+), 27 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 20b146d1de..eb3cdfce43 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -276,6 +276,27 @@ class Helmholtz : public EosBase { } Helmholtz(const std::string &filename, Options options) : electrons_(filename), options_(options) {} + + PORTABLE_INLINE_FUNCTION int nlambda() const noexcept { return 3; } + static constexpr unsigned long PreferredInput() { + return thermalqs::density | thermalqs::temperature; + } + static inline unsigned long scratch_size(std::string method, unsigned int nelements) { + return 0; + } + static inline unsigned long max_scratch_size(unsigned int nelements) { return 0; } + + PORTABLE_INLINE_FUNCTION void PrintParams() const { + printf("Helmholtz Parameters:\n" + "ENABLE_RAD = %d\n" + "ENABLE_GAS = %d\n" + "ENABLE_COULOMB_CORRECTIONS = %d\n" + "GAS_IONIZED = %d\n" + "GAS_DEGENERATE = %d\n", + options_.ENABLE_RAD, options_.ENABLE_GAS, options_.ENABLE_COULOMB_CORRECTIONS, + options_.GAS_IONIZED, options_.GAS_DEGENERATE); + } + inline Helmholtz GetOnDevice() { Helmholtz other; other.rad_ = rad_.GetOnDevice(); @@ -292,6 +313,7 @@ class Helmholtz : public EosBase { electrons_.Finalize(); } + PORTABLE_INLINE_FUNCTION void GetMassFractions(const Real rho, const Real temp, const Real ytot, Real &xni, Real &dxnidd, Real &dxnida) const { xni = ions_.NA * ytot * rho; @@ -299,7 +321,116 @@ class Helmholtz : public EosBase { dxnida = -xni * ytot; } + PORTABLE_INLINE_FUNCTION Real TemperatureFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const { + Real temperature, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::temperature, lambda); + return temperature; + } + PORTABLE_INLINE_FUNCTION Real InternalEnergyFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real sie, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::specific_internal_energy, + lambda); + return sie; + } + PORTABLE_INLINE_FUNCTION Real PressureFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real sie, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::pressure, lambda); + return p; + } + PORTABLE_INLINE_FUNCTION Real PressureFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const { + Real temperature, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, + thermalqs::pressure | thermalqs::temperature, lambda); + return p; + } + // TODO: Do entropy + PORTABLE_INLINE_FUNCTION Real EntropyFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const; + PORTABLE_INLINE_FUNCTION Real EntropyFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const; + + PORTABLE_INLINE_FUNCTION Real SpecificHeatFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real sie, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::specific_heat, lambda); + return cv; + } + PORTABLE_INLINE_FUNCTION Real SpecificHeatFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const { + Real temperature, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, + thermalqs::specific_heat | thermalqs::temperature, lambda); + return cv + } + PORTABLE_INLINE_FUNCTION Real BulkModulusFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real sie, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::bulk_modulus, lambda); + return bmod; + } + PORTABLE_INLINE_FUNCTION Real BulkModulusFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const { + Real temperature, p, cv, bmod; + FillEos(rho, temperature, sie, p, cv, bmod, + thermalqs::bulk_modulus | thermalqs::temperature, lambda); + return bmod; + } + // TODO: Do Gruneisen + PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityTemperature( + const Real rho, const Real temperature, Real *lambda = nullptr) const { + // const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); + } + PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityInternalEnergy( + const Real rho, const Real sie, Real *lambda = nullptr) const; + + PORTABLE_INLINE_FUNCTION + void FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real &cv, Real &bmod, + const unsigned long output, Real *lambda = nullptr) const; + + PORTABLE_INLINE_FUNCTION + void ValuesAtReferenceState(Real &rho, Real &temp, Real &sie, Real &press, Real &cv, + Real &bmod, Real &dpde, Real &dvdt, + Real *lambda = nullptr) const { + // JMM: I'm not sure what to put here or if it matters. Some + // reference state, maybe stellar denity, would be appropriate. + PORTABLE_ALWAYS_ABORT("Stub"); + } + PORTABLE_INLINE_FUNCTION void + DensityEnergyFromPressureTemperature(const Real press, const Real temp, Real *lambda, + Real &rho, Real &sie) const { + // This is only used for mixed cell closures. Stubbing it out for now. + PORTABLE_ALWAYS_ABORT("Stub"); + } + static std::string EosType() { return std::string("Helmholtz"); } + static std::string EosPyType() { return EosType(); } + + SG_ADD_ABSE_CLASS_USINGS(Helmholtz) private: + PORTABLE_INLINE_FUNCTION + Real ComputeGamma1_(const Real rho, const Real T, const Real p[NDERIV], + const Real e[NDERIV]) { + using namespace HelmUtils; + const Real chit = robust::ratio(T, p[0]) * p[DDT]; + const Real chid = robust::ratio(p[DDR] * rho, p[0]); + const Real x = robust::ratio(p[0] * chit, rho * T * e[DDT]); + return chit * x + chid; + } + + PORTABLE_INLINE_FUNCTION + void GetElectronDenities_(const Real rho, const Real abar, const Real zbar, Real &ytot, + Real &ye, Real &ywot, Real &De, Real &lDe) const { + ytot = robust::ratio(1.0, abar); + ye = zbar * ytot; + // TODO(JMM): should we be passing around logrho maybe? + ywot = std::log(robust::ratio(abar * abar * std::sqrt(abar), rho * ions_.NA)); + De = rho * ye; + lDe = std::log10(De); + } + PORTABLE_INLINE_FUNCTION Real lTAnalytic_(const Real rho, const Real e, const Real ni, const Real ne) const { return (2.0 / 3.0) * robust::ratio(e * rho, ni + ne) * ions_.KBi; @@ -316,33 +447,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION Real lTFromRhoSie_(const Real rho, const Real e, const Real abar, const Real zbar, const Real ye, const Real ytot, const Real ywot, const Real De, - const Real lDe, Real *lambda) const { - const Real abari = robust::ratio(1.0, abar); - const Real ni = abari * rho * ions_.NA; - const Real ne = zbar * ni; - Real lT; - - if (options_.ENABLE_RAD || options_.GAS_DEGENERATE || - options_.ENABLE_COULOMB_CORRECTIONS) { - Real lTguess = lambda[Lambda::lT]; - if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { - lTguess = lTAnalytic(rho, e, ni, ne); - } - auto © = *this; // stupid C++17 workaround - auto status = ROOT_FINDER([&](Real lT) { - Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; - copy.GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep, true); - return e[VAR]; - }, e, lTguess, electrons_.lTMin(), electrons_.lTMax(), ROOT_THRESH, ROOT_THRESH, lT); - if (status != Rootfinding1D::Status::SUCCESS) { - lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); - } - } else { - lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); - } - lambda[Lambda::lT] = lT; - return lT; - } + const Real lDe, Real *lambda) const; constexpr Real ROOT_THRESH = 1e-14; Options options_; @@ -352,6 +457,89 @@ class Helmholtz : public EosBase { HelmholtzEelctrons electrons_; }; +PORTABLE_INLINE_FUNCTION +void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real &cv, + Real &bmod, const unsigned long output, + Real *lambda = nullptr) const { + using namespace HelmUtils; + bool need_temp = (output & thermalqs::temperature); + bool need_sie = (output & thermalqs::specific_internal_energy); + bool need_rho = (output & thermalqs::density); + PROTABLE_REQUIRE(!need_rho, "Density output not supported by this EOS"); + PORTABLE_REQUIRE(!(need_temp && need_sie), + "Either specific internal energy or temperature must be provided."); + Real abar = lambda[Lambda::Abar]; + Real zbar = lambda[Lambda::Zbar]; + Real ytot, ye, ywot, De, lDe; + GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); + if (need_temp) { + lT = lTFromRhoSie_(rho, energy, abar, zbar, ye, ytot, ywot, De, lDe, lambda); + } else { + lT = std::log10(temp); + lambda[Lambda::lT] = lT; + } + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + etaele, nep); + if (output & thermalqs::temperature) { + temperature = math_utils::pow10(lT); + } + if (output & thermalqs::specific_internal_energy) { + energy = e[0]; + } + if (output & thermalqs::pressure) { + press = p[0]; + } + if (output & thermalqs::specific_heat) { + cv = e[DDT]; + } + if (output & thermalqs::bulk_modulus) { + Real gamma1 = ComputeGamma1_(rho, temperature, p, e); + // Note this is the bulk modulus, not the sound speed. To compute + // the sound speed, you must take this value and divide by the + // enthalpy. In particular: + // c_s = sqrt(bmod / (w)) = sqrt(bmod / (h rho)) + // see page 108 of Rezzolla and Zanotti + bmod = std::max(robust::EPS(), press * gamma1); + } + if (output & thermalqs +} + +PORTABLE_INLINE_FUNCTION +Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, + const Real zbar, const Real ye, const Real ytot, + const Real ywot, const Real De, const Real lDe, + Real *lambda) const { + const Real abari = robust::ratio(1.0, abar); + const Real ni = abari * rho * ions_.NA; + const Real ne = zbar * ni; + Real lT; + + if (options_.ENABLE_RAD || options_.GAS_DEGENERATE || + options_.ENABLE_COULOMB_CORRECTIONS) { + Real lTguess = lambda[Lambda::lT]; + if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { + lTguess = lTAnalytic(rho, e, ni, ne); + } + auto © = *this; // stupid C++17 workaround + auto status = ROOT_FINDER( + [&](Real lT) { + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + copy.GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, + p, e, s, etaele, nep, true); + return e[VAR]; + }, + e, lTguess, electrons_.lTMin(), electrons_.lTMax(), ROOT_THRESH, ROOT_THRESH, lT); + if (status != Rootfinding1D::Status::SUCCESS) { + lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + } + } else { + lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + } + lambda[Lambda::lT] = lT; + return lT; +} + inline void HelmholtzElectrons::InitDataFile_(const std::string &filename) { using namespace HelmUtils; std::ifstream file(filename); From ea0a8cb25d41d68cc9dc7bab3a392210bb4a3691 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 11:00:33 -0600 Subject: [PATCH 07/65] starting debugging still lots of errors though --- singularity-eos/CMakeLists.txt | 1 + singularity-eos/eos/eos.hpp | 1 + singularity-eos/eos/eos_helmholtz.hpp | 250 +++++++++++++------------- test/test_eos_helmholtz.cpp | 40 +++++ 4 files changed, 167 insertions(+), 125 deletions(-) create mode 100644 test/test_eos_helmholtz.cpp diff --git a/singularity-eos/CMakeLists.txt b/singularity-eos/CMakeLists.txt index d094a324ed..26717c6519 100644 --- a/singularity-eos/CMakeLists.txt +++ b/singularity-eos/CMakeLists.txt @@ -33,6 +33,7 @@ set(EOS_HEADERS eos/eos_vinet.hpp eos/eos_builder.hpp eos/eos_jwl.hpp + eos/eos_helmholtz.hpp eos/modifiers/relativistic_eos.hpp eos/modifiers/scaled_eos.hpp eos/modifiers/ramps_eos.hpp diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index 379246669f..ee559297bc 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -40,6 +40,7 @@ #include #include #include +#include #include // Modifiers diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index eb3cdfce43..7195b901d2 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -39,11 +39,11 @@ // singularity-eos #include -#include #include #include #include #include +#include // spiner #include @@ -56,7 +56,7 @@ using namespace eos_base; // TODO(JMM): Maybe want to move these utility functions into something like an // ASCII-utils file. Worth considering at some later date. namespace HelmUtils { -using DataBox = HelmUtils::DataBox; +using DataBox = Spiner::DataBox; constexpr std::size_t NDERIV = 5; enum DERIV { VAL = 0, DDR = 1, DDT = 2, DDA = 3, DDZ = 4 }; // Tail-recursive resize tables @@ -68,11 +68,11 @@ inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Rea } template inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Real r0max, - DataBox &head, Args &&...tail) { + DataBox &head, Args &&... tail) { ResizeTables(n1, r1min, r1max, n0, r0min, r0max, head); ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tail)...); } -// Tail-recursive read one i,j from text file +// Tail-recursive read one i,j from ASCII text file template inline void Read(std::ifstream &file, Msg_t &error_msg, T &var) { if (!(file >> var)) { @@ -80,21 +80,21 @@ inline void Read(std::ifstream &file, Msg_t &error_msg, T &var) { PORTABLE_ALWAYS_THROW_OR_ABORT(error_msg); } } -template -inline void Read(std::ifstream &file, Msg_t &error_msg, T &head, Args &&...tail) { - Read(file, msg, head); - Read(file, msg, std::forward(tail)...); +template +inline void Read(std::ifstream &file, Msg_t &error_msg, T &head, Args &&... tail) { + Read(file, error_msg, head); + Read(file, error_msg, std::forward(tail)...); } // Read all i,j from text file template inline void SetTablesFromFile(std::ifstream &file, int n1, Real r1min, Real r1max, int n0, - Real r0min, Real r0max, Args &&...tables) { + Real r0min, Real r0max, Args &&... tables) { ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tables)...); - for (int j = 0; j < NTEMP; ++j) { - for (int i = 0; i < NTEMP; ++i) { + for (int j = 0; j < n1; ++j) { + for (int i = 0; i < n0; ++i) { std::stringstream error_msg; - msg << "Error reading the Helmholtz free energy table at j = " << j << ", i = " << i - << std::endl; + error_msg << "Error reading the Helmholtz free energy table at j = " << j + << ", i = " << i << std::endl; Read(file, error_msg, tables(j, i)...); } } @@ -105,7 +105,7 @@ class HelmholtzElectrons { public: // may change with time using DataBox = HelmUtils::DataBox; - constexpr std::size_t NDERIV = HelmUtils::NDERIV; + static constexpr std::size_t NDERIV = HelmUtils::NDERIV; inline HelmholtzElectrons(const std::string &filename) { InitDataFile_(filename); } @@ -152,16 +152,16 @@ class HelmholtzElectrons { // number density DataBox xf_, xfd_, xft_, xfdt_; - constexpr std::size_t NTEMP = 101; - constexpr std::size_t NRHO = 271; + static constexpr std::size_t NTEMP = 101; + static constexpr std::size_t NRHO = 271; - constexpr Real lTMin_ = 3.0; - constexpr Real lTMax_ = 13.0; - constexpr Real lRhoMin_ = -12.0; - constexpr Real lRhoMax_ = 15.0; + static constexpr Real lTMin_ = 3.0; + static constexpr Real lTMax_ = 13.0; + static constexpr Real lRhoMin_ = -12.0; + static constexpr Real lRhoMax_ = 15.0; - constexpr Real dlT_ = (lTMax_ - lTMin_) / (static_cast(NTEMP) - 1.0); - constexpr Real dlRho_ = (lRhoMax_ - lRhoMin_) / (static_cast(NRHO) - 1.0); + static constexpr Real dlT_ = (lTMax_ - lTMin_) / (static_cast(NTEMP) - 1.0); + static constexpr Real dlRho_ = (lRhoMax_ - lRhoMin_) / (static_cast(NRHO) - 1.0); const Real TMin_ = math_utils::pow10(lTMin_); const Real TMax_ = math_utils::pow10(lTMax_); @@ -174,11 +174,11 @@ class HelmholtzElectrons { // radiation EOS at some point. class HelmRad { public: - constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.670374419e-5; // erg/cm^2/s/K^4 - constexpr Real CL = 2.998e10; // speed of light. cm/s - constexpr Real SIG_O_C = STEFAN_BOLTZMANN_CONSTANT / CL; - constexpr Real PREFACTOR = (4. / 3.) * SIG_O_C; - constexpr std::size_t NDERIV = HelmUtils::NDERIV; + static constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.670374419e-5; // erg/cm^2/s/K^4 + static constexpr Real CL = 2.998e10; // speed of light. cm/s + static constexpr Real SIG_O_C = STEFAN_BOLTZMANN_CONSTANT / CL; + static constexpr Real PREFACTOR = (4. / 3.) * SIG_O_C; + static constexpr std::size_t NDERIV = HelmUtils::NDERIV; HelmRad() = default; HelmRad GetOnDevice() { return *this; } @@ -193,15 +193,15 @@ class HelmRad { // rather than this hardcoded one class HelmIon { public: - constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs - constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol - constexpr Real KBNA = KB * NA; - constexpr REAL KBi = 1.0 / KB; - constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ - constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ + static constexpr std::size_t NDERIV = HelmUtils::NDERIV; + static constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs + static constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + static constexpr Real KBNA = KB * NA; + static constexpr Real KBi = 1.0 / KB; + static constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ + static constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ const Real LSWOT15 = 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); - constexpr std::size_t NDERIV = HelmUtils::NDERIV; HelmIon() = default; HelmIon GetOnDevice() { return *this; } @@ -218,12 +218,12 @@ class HelmIon { // perhaps that will make it easier to swap out down the line. class HelmCoulomb { public: - constexpr Real ELECTRON_CHARGE_ESU = 4.80320427e-10; - constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs - constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol - constexpr Real KBNA = KB * NA; - constexpr Real M_LN10 = 2.30258509299404568401799145468; /* ln(10) */ - constexpr std::size_t NDERIV = HelmUtils::NDERIV; + static constexpr Real ELECTRON_CHARGE_ESU = 4.80320427e-10; + static constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs + static constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + static constexpr Real KBNA = KB * NA; + static constexpr Real M_LN10 = 2.30258509299404568401799145468; /* ln(10) */ + static constexpr std::size_t NDERIV = HelmUtils::NDERIV; HelmCoulomb() = default; HelmCoulomb GetOnDevice() { return *this; } @@ -449,7 +449,7 @@ class Helmholtz : public EosBase { const Real ye, const Real ytot, const Real ywot, const Real De, const Real lDe, Real *lambda) const; - constexpr Real ROOT_THRESH = 1e-14; + static constexpr Real ROOT_THRESH = 1e-14; Options options_; HelmRad rad_; HelmIon ions_; @@ -649,42 +649,42 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R // contiguous cache of values for helm interp Real fi[36]; - fi[0] = f_[jat][iat]; - fi[1] = f_[jat + 1][iat]; - fi[2] = f_[jat][iat + 1]; - fi[3] = f_[jat + 1][iat + 1]; - fi[4] = ft_[jat][iat]; - fi[5] = ft_[jat + 1][iat]; - fi[6] = ft_[jat][iat + 1]; - fi[7] = ft_[jat + 1][iat + 1]; - fi[8] = ftt_[jat][iat]; - fi[9] = ftt_[jat + 1][iat]; - fi[10] = ftt_[jat][iat + 1]; - fi[11] = ftt_[jat + 1][iat + 1]; - fi[12] = fd_[jat][iat]; - fi[13] = fd_[jat + 1][iat]; - fi[14] = fd_[jat][iat + 1]; - fi[15] = fd_[jat + 1][iat + 1]; - fi[16] = fdd_[jat][iat]; - fi[17] = fdd_[jat + 1][iat]; - fi[18] = fdd_[jat][iat + 1]; - fi[19] = fdd_[jat + 1][iat + 1]; - fi[20] = fdt_[jat][iat]; - fi[21] = fdt_[jat + 1][iat]; - fi[22] = fdt_[jat][iat + 1]; - fi[23] = fdt_[jat + 1][iat + 1]; - fi[24] = fddt_[jat][iat]; - fi[25] = fddt_[jat + 1][iat]; - fi[26] = fddt_[jat][iat + 1]; - fi[27] = fddt_[jat + 1][iat + 1]; - fi[28] = fdtt_[jat][iat]; - fi[29] = fdtt_[jat + 1][iat]; - fi[30] = fdtt_[jat][iat + 1]; - fi[31] = fdtt_[jat + 1][iat + 1]; - fi[32] = fddtt_[jat][iat]; - fi[33] = fddtt_[jat + 1][iat]; - fi[34] = fddtt_[jat][iat + 1]; - fi[35] = fddtt_[jat + 1][iat + 1]; + fi[0] = f_(jat, iat); + fi[1] = f_(jat + 1, iat); + fi[2] = f_(jat, iat + 1); + fi[3] = f_(jat + 1, iat + 1); + fi[4] = ft_(jat, iat); + fi[5] = ft_(jat + 1, iat); + fi[6] = ft_(jat, iat + 1); + fi[7] = ft_(jat + 1, iat + 1); + fi[8] = ftt_(jat, iat); + fi[9] = ftt_(jat + 1, iat); + fi[10] = ftt_(jat, iat + 1); + fi[11] = ftt_(jat + 1, iat + 1); + fi[12] = fd_(jat, iat); + fi[13] = fd_(jat + 1, iat); + fi[14] = fd_(jat, iat + 1); + fi[15] = fd_(jat + 1, iat + 1); + fi[16] = fdd_(jat, iat); + fi[17] = fdd_(jat + 1, iat); + fi[18] = fdd_(jat, iat + 1); + fi[19] = fdd_(jat + 1, iat + 1); + fi[20] = fdt_(jat, iat); + fi[21] = fdt_(jat + 1, iat); + fi[22] = fdt_(jat, iat + 1); + fi[23] = fdt_(jat + 1, iat + 1); + fi[24] = fddt_(jat, iat); + fi[25] = fddt_(jat + 1, iat); + fi[26] = fddt_(jat, iat + 1); + fi[27] = fddt_(jat + 1, iat + 1); + fi[28] = fdtt_(jat, iat); + fi[29] = fdtt_(jat + 1, iat); + fi[30] = fdtt_(jat, iat + 1); + fi[31] = fdtt_(jat + 1, iat + 1); + fi[32] = fddtt_(jat, iat); + fi[33] = fddtt_(jat + 1, iat); + fi[34] = fddtt_(jat, iat + 1); + fi[35] = fddtt_(jat + 1, iat + 1); // differences Real xt = std::max(0.0, (T - T_(jat)) * dti); @@ -789,44 +789,44 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R dsi1md = hermite::xdpsi1(mxd); // Re-use cache - fi[0] = dpdf_[jat][iat]; - fi[1] = dpdf_[jat + 1][iat]; - fi[2] = dpdf_[jat][iat + 1]; - fi[3] = dpdf_[jat + 1][iat + 1]; - fi[4] = dpdft_[jat][iat]; - fi[5] = dpdft_[jat + 1][iat]; - fi[6] = dpdft_[jat][iat + 1]; - fi[7] = dpdft_[jat + 1][iat + 1]; - fi[8] = dpdfd_[jat][iat]; - fi[9] = dpdfd_[jat + 1][iat]; - fi[10] = dpdfd_[jat][iat + 1]; - fi[11] = dpdfd_[jat + 1][iat + 1]; - fi[12] = dpdfdt_[jat][iat]; - fi[13] = dpdfdt_[jat + 1][iat]; - fi[14] = dpdfdt_[jat][iat + 1]; - fi[15] = dpdfdt_[jat + 1][iat + 1]; + fi[0] = dpdf_(jat, iat); + fi[1] = dpdf_(jat + 1, iat); + fi[2] = dpdf_(jat, iat + 1); + fi[3] = dpdf_(jat + 1, iat + 1); + fi[4] = dpdft_(jat, iat); + fi[5] = dpdft_(jat + 1, iat); + fi[6] = dpdft_(jat, iat + 1); + fi[7] = dpdft_(jat + 1, iat + 1); + fi[8] = dpdfd_(jat, iat); + fi[9] = dpdfd_(jat + 1, iat); + fi[10] = dpdfd_(jat, iat + 1); + fi[11] = dpdfd_(jat + 1, iat + 1); + fi[12] = dpdfdt_(jat, iat); + fi[13] = dpdfdt_(jat + 1, iat); + fi[14] = dpdfdt_(jat, iat + 1); + fi[15] = dpdfdt_(jat + 1, iat + 1); // pressure derivative with respect to density pele[1] = std::max( 0.0, Ye * hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md)); // chemical potentials - fi[0] = ef_[jat][iat]; - fi[1] = ef_[jat + 1][iat]; - fi[2] = ef_[jat][iat + 1]; - fi[3] = ef_[jat + 1][iat + 1]; - fi[4] = eft_[jat][iat]; - fi[5] = eft_[jat + 1][iat]; - fi[6] = eft_[jat][iat + 1]; - fi[7] = eft_[jat + 1][iat + 1]; - fi[8] = efd_[jat][iat]; - fi[9] = efd_[jat + 1][iat]; - fi[10] = efd_[jat][iat + 1]; - fi[11] = efd_[jat + 1][iat + 1]; - fi[12] = efdt_[jat][iat]; - fi[13] = efdt_[jat + 1][iat]; - fi[14] = efdt_[jat][iat + 1]; - fi[15] = efdt_[jat + 1][iat + 1]; + fi[0] = ef_(jat, iat); + fi[1] = ef_(jat + 1, iat); + fi[2] = ef_(jat, iat + 1); + fi[3] = ef_(jat + 1, iat + 1); + fi[4] = eft_(jat, iat); + fi[5] = eft_(jat + 1, iat); + fi[6] = eft_(jat, iat + 1); + fi[7] = eft_(jat + 1, iat + 1); + fi[8] = efd_(jat, iat); + fi[9] = efd_(jat + 1, iat); + fi[10] = efd_(jat, iat + 1); + fi[11] = efd_(jat + 1, iat + 1); + fi[12] = efdt_(jat, iat); + fi[13] = efdt_(jat + 1, iat); + fi[14] = efdt_(jat, iat + 1); + fi[15] = efdt_(jat + 1, iat + 1); // electron chemical potential etaele etaele[0] = hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md); @@ -843,22 +843,22 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R etaele[4] = x * rho * Ytot; // look in the number density table only once - fi[0] = xf_[jat][iat]; - fi[1] = xf_[jat + 1][iat]; - fi[2] = xf_[jat][iat + 1]; - fi[3] = xf_[jat + 1][iat + 1]; - fi[4] = xft_[jat][iat]; - fi[5] = xft_[jat + 1][iat]; - fi[6] = xft_[jat][iat + 1]; - fi[7] = xft_[jat + 1][iat + 1]; - fi[8] = xfd_[jat][iat]; - fi[9] = xfd_[jat + 1][iat]; - fi[10] = xfd_[jat][iat + 1]; - fi[11] = xfd_[jat + 1][iat + 1]; - fi[12] = xfdt_[jat][iat]; - fi[13] = xfdt_[jat + 1][iat]; - fi[14] = xfdt_[jat][iat + 1]; - fi[15] = xfdt_[jat + 1][iat + 1]; + fi[0] = xf_(jat, iat); + fi[1] = xf_(jat + 1, iat); + fi[2] = xf_(jat, iat + 1); + fi[3] = xf_(jat + 1, iat + 1); + fi[4] = xft_(jat, iat); + fi[5] = xft_(jat + 1, iat); + fi[6] = xft_(jat, iat + 1); + fi[7] = xft_(jat + 1, iat + 1); + fi[8] = xfd_(jat, iat); + fi[9] = xfd_(jat + 1, iat); + fi[10] = xfd_(jat, iat + 1); + fi[11] = xfd_(jat + 1, iat + 1); + fi[12] = xfdt_(jat, iat); + fi[13] = xfdt_(jat + 1, iat); + fi[14] = xfdt_(jat, iat + 1); + fi[15] = xfdt_(jat + 1, iat + 1); // electron + positron number densities xne[0] = hermite::h3(fi, si0t, si1t, si0mt, si1mt, si0d, si1d, si0md, si1md); diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp new file mode 100644 index 0000000000..1b3d062ddf --- /dev/null +++ b/test/test_eos_helmholtz.cpp @@ -0,0 +1,40 @@ +//------------------------------------------------------------------------------ +// © 2021-2023. Triad National Security, LLC. All rights reserved. This +// program was produced under U.S. Government contract 89233218CNA000001 +// for Los Alamos National Laboratory (LANL), which is operated by Triad +// National Security, LLC for the U.S. Department of Energy/National +// Nuclear Security Administration. All rights in the program are +// reserved by Triad National Security, LLC, and the U.S. Department of +// Energy/National Nuclear Security Administration. The Government is +// granted for itself and others acting on its behalf a nonexclusive, +// paid-up, irrevocable worldwide license in this material to reproduce, +// prepare derivative works, distribute copies to the public, perform +// publicly and display publicly, and to permit others to do so. +//------------------------------------------------------------------------------ + +#include +#include +#include + +#include +#include +#include + +#ifndef CATCH_CONFIG_RUNNER +#include "catch2/catch.hpp" +#endif + +#include +#include +#include +#include +#include +#include + +using singularity::Helmholtz; +const std::string filename = "helm_table.dat"; +SCENARIO("Helmholtz equation of state", "[HelmholtzEOS]") { + GIVEN("A helholtz EOS") { + Helmholtz eos(filename); + } +} From 92dd13cc7531551f6f70d1849a029b3999b045fb Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 11:10:20 -0600 Subject: [PATCH 08/65] some more bug hunting --- singularity-eos/eos/eos_helmholtz.hpp | 19 +++++++++---------- 1 file changed, 9 insertions(+), 10 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 7195b901d2..79b3913f9d 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -175,7 +175,7 @@ class HelmholtzElectrons { class HelmRad { public: static constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.670374419e-5; // erg/cm^2/s/K^4 - static constexpr Real CL = 2.998e10; // speed of light. cm/s + static constexpr Real CL = 2.998e10; // speed of light. cm/s static constexpr Real SIG_O_C = STEFAN_BOLTZMANN_CONSTANT / CL; static constexpr Real PREFACTOR = (4. / 3.) * SIG_O_C; static constexpr std::size_t NDERIV = HelmUtils::NDERIV; @@ -218,11 +218,11 @@ class HelmIon { // perhaps that will make it easier to swap out down the line. class HelmCoulomb { public: + static constexpr Real LN10 = 2.30258509299404568401799145468; // ln(10) static constexpr Real ELECTRON_CHARGE_ESU = 4.80320427e-10; static constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs static constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol static constexpr Real KBNA = KB * NA; - static constexpr Real M_LN10 = 2.30258509299404568401799145468; /* ln(10) */ static constexpr std::size_t NDERIV = HelmUtils::NDERIV; HelmCoulomb() = default; @@ -240,7 +240,7 @@ class HelmCoulomb { PORTABLE_INLINE_FUNCTION void butterworth(Real freq, double cfreq, Real &g, Real &dgdf) const { g = robust::ratio(1.0, 1.0 + math_utils::pow<2 * n>(robust::ratio(freq, cfreq))); - dgdf = robust::ratio(-math_utils::pow<2>(g) * 2 * n, math_utils<2 * n>(cfreq)) * + dgdf = robust::ratio(-math_utils::pow<2>(g) * 2 * n, math_utils::pow<2 * n>(cfreq)) * math_utils::pow<2 * n - 1>(freq); } }; @@ -251,6 +251,7 @@ class HelmCoulomb { // corrections are desired. class Helmholtz : public EosBase { public: + static constexpr std::size_t NDERIV = HelmUtils::NDERIV; // These are the indexes in the lambda array struct Lambda { enum Index { @@ -259,8 +260,6 @@ class Helmholtz : public EosBase { lT = 4 // log10 temperature. used for root finding. }; }; - constexpr std::size_t NDERIV = HelmUtils::NDERIV; - // Options struct. You can create one of these and modify it to set // options at initialization struct Options { @@ -269,7 +268,7 @@ class Helmholtz : public EosBase { bool ENABLE_COULOMB_CORRECTIONS = true; bool GAS_IONIZED = true; bool GAS_DEGENERATE = true; - } + }; Helmholtz(const std::string &filename) : electrons_(filename) { @@ -408,7 +407,7 @@ class Helmholtz : public EosBase { static std::string EosType() { return std::string("Helmholtz"); } static std::string EosPyType() { return EosType(); } - SG_ADD_ABSE_CLASS_USINGS(Helmholtz) + SG_ADD_BASE_CLASS_USINGS(Helmholtz) private: PORTABLE_INLINE_FUNCTION Real ComputeGamma1_(const Real rho, const Real T, const Real p[NDERIV], @@ -880,7 +879,7 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R // dpepdd at high temperatures and low densities is below the // floating point limit of the subtraction of two large terms. // since dpresdd doesn't enter the maxwell relations at all, use the - // bicubic interpolation done above instead of this one + // bicubic interpolation done above instead of this one225 x = De * De; pele[0] = x * df_d; pele[2] = x * df_dt; @@ -1098,8 +1097,8 @@ void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, // derivatives (and conversion from logarithmic derivative) Real gain = (1.0 - g_t * g_r); - Real dgaindt = -robust::ratio(g_r * dgdf_t, temp * M_LN10); - Real dgaindd = -robust::ratio(g_t * dgdf_r, rho * M_LN10); + Real dgaindt = -robust::ratio(g_r * dgdf_t, temp * LN10); + Real dgaindd = -robust::ratio(g_t * dgdf_r, rho * LN10); // straight up gain pcoul[VAL] = pcoul[VAL] * gain; From ffc0e3372389ca489132ea8894174f9fae84f691 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Thu, 29 Jun 2023 14:21:25 -0600 Subject: [PATCH 09/65] Fixed typos --- singularity-eos/eos/eos_helmholtz.hpp | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 79b3913f9d..62ff57c8c8 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -420,7 +420,7 @@ class Helmholtz : public EosBase { } PORTABLE_INLINE_FUNCTION - void GetElectronDenities_(const Real rho, const Real abar, const Real zbar, Real &ytot, + void GetElectronDensities_(const Real rho, const Real abar, const Real zbar, Real &ytot, Real &ye, Real &ywot, Real &De, Real &lDe) const { ytot = robust::ratio(1.0, abar); ye = zbar * ytot; @@ -464,7 +464,7 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & bool need_temp = (output & thermalqs::temperature); bool need_sie = (output & thermalqs::specific_internal_energy); bool need_rho = (output & thermalqs::density); - PROTABLE_REQUIRE(!need_rho, "Density output not supported by this EOS"); + PORTABLE_REQUIRE(!need_rho, "Density output not supported by this EOS"); PORTABLE_REQUIRE(!(need_temp && need_sie), "Either specific internal energy or temperature must be provided."); Real abar = lambda[Lambda::Abar]; @@ -493,7 +493,7 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & cv = e[DDT]; } if (output & thermalqs::bulk_modulus) { - Real gamma1 = ComputeGamma1_(rho, temperature, p, e); + Real gamma1 = ComputeGamma1_(rho, temp, p, e); // Note this is the bulk modulus, not the sound speed. To compute // the sound speed, you must take this value and divide by the // enthalpy. In particular: @@ -629,7 +629,7 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R rho = std::min(rhoMax_, std::max(rhoMin_, rho)); De = std::min(rhoMax_, std::max(rhoMin_, De)); lDe = std::min(lRhoMax_, std::max(lRhoMin_, lDe)); - Real T = std::pow10(lT); + Real T = math_utils::pow10(lT); // Find central indexes in table auto &lRhoRange = f_.range(0); @@ -926,7 +926,7 @@ void HelmRad::GetFromDensityTemperature(const Real rho, const Real temp, Real dedR = -e * rhoi; Real dedT = 3.0 * dPdT * rhoi; erad[VAL] = e; - erad[DDR] dedR; + erad[DDR] = dedR; erad[DDT] = dedT; erad[DDA] = 0; erad[DDZ] = 0; @@ -949,6 +949,7 @@ void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const R const Real dxnidd, const Real dxnida, Real pion[NDERIV], Real eion[NDERIV], Real sion[NDERIV]) const { + using namespace HelmUtils; const Real kbT = KB * temp; // pressure P = xni * kbT; @@ -995,6 +996,7 @@ void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, const Real dxnidd, const Real dxnida, Real pcoul[NDERIV], Real ecoul[NDERIV], Real scoul[NDERIV]) const { + using namespace HelmUtils; // fitting parameters constexpr Real a1 = -0.898004; constexpr Real b1 = 0.96786; @@ -1139,7 +1141,7 @@ void Helmholtz::GetFromDensityLogTemperature_( const Real log10e = std::log10(e); const Real lnT = lT / log10e; - Real T = std::pow10(lT); + Real T = math_utils::pow10(lT); if (options_.ENABLE_RAD) { rad_.GetFromDensityTemperature(rho, T, prad, erad, srad); } @@ -1170,7 +1172,7 @@ void Helmholtz::GetFromDensityLogTemperature_( } if (options_.GAS_DEGENERATE) { // treat degenerate electron gas electrons_.GetFromDensityTemperature(rho, lT, ye, ytot, De, lDe, pele, eele, sele, - etaele, nep, onle_e); + etaele, nep, only_e); if (options_.ENABLE_COULOMB_CORRECTIONS) { Real xni, dxnidd, dxnida; GetMassFractions(rho, T, ytot, xni, dxnidd, dxnida); From e7a61a4e14c31d53c0f7fbf69ba51f53daacc2f3 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 15:53:07 -0600 Subject: [PATCH 10/65] more fixes --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 62ff57c8c8..2116ce2fc6 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -453,7 +453,7 @@ class Helmholtz : public EosBase { HelmRad rad_; HelmIon ions_; HelmCoulomb coul_; - HelmholtzEelctrons electrons_; + HelmholtzElectrons electrons_; }; PORTABLE_INLINE_FUNCTION @@ -1139,7 +1139,7 @@ void Helmholtz::GetFromDensityLogTemperature_( etaele[i] = nep[i] = 0; } - const Real log10e = std::log10(e); + const Real log10e = std::log10(M_E); const Real lnT = lT / log10e; Real T = math_utils::pow10(lT); if (options_.ENABLE_RAD) { From ebc28f274c19911b6648ea56d2957d4c0bfde7e9 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 15:54:01 -0600 Subject: [PATCH 11/65] default constructor --- singularity-eos/eos/eos_helmholtz.hpp | 1 + 1 file changed, 1 insertion(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 2116ce2fc6..e95b50e3fa 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -270,6 +270,7 @@ class Helmholtz : public EosBase { bool GAS_DEGENERATE = true; }; + Helmholtz() = default; Helmholtz(const std::string &filename) : electrons_(filename) { } From 8370c8e5d9abb1923aefd9ddd2231b8d3ad79d0a Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 16:54:02 -0600 Subject: [PATCH 12/65] fix deleted operator= due to const vars. generalize compile time pow --- singularity-eos/base/math_utils.hpp | 35 ++++++++++---------- singularity-eos/eos/eos_helmholtz.hpp | 46 +++++++++++++++++++-------- 2 files changed, 51 insertions(+), 30 deletions(-) diff --git a/singularity-eos/base/math_utils.hpp b/singularity-eos/base/math_utils.hpp index 49b05c2b23..f24fe4dbe8 100644 --- a/singularity-eos/base/math_utils.hpp +++ b/singularity-eos/base/math_utils.hpp @@ -22,37 +22,40 @@ namespace math_utils { /* * Replaces "SQUARE, CUBE, etc - * Generic is recursive, but we specialize a few of them strategically - * A generalization would be to treat even powers specially + * Use ternary operator instead of if constexpr to enable compile-time tail-recursion + * for various edge cases. Following accelerants are used: + * x^{2*i} = x^i x^i + * x^i = i x^{i - 1} + * x^{-i} = 1/x^i */ -template -PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow(const Real x) { - return x * pow

(x); +template +PORTABLE_FORCEINLINE_FUNCTION constexpr Real pow(const Real x) { + // defining Ppos is important. Otherwise compiler is not smart + // enough to terminate recursion. + constexpr int Ppos = (P < 0) ? -P : P; + return (P >= 0) + ? ((Ppos % 2) ? x * pow(x) : pow(x) * pow(x)) + : 1 / pow(x); } template <> -PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow<0>(const Real x) { +PORTABLE_FORCEINLINE_FUNCTION constexpr Real pow<0>(const Real x) { return 1.0; } template <> -PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow<1>(const Real x) { +PORTABLE_FORCEINLINE_FUNCTION constexpr Real pow<1>(const Real x) { return x; } -template <> -PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow<2>(const Real x) { - return x * x; -} - -template <> -PORTABLE_FORCEINLINE_FUNCTION constexpr auto pow<4>(const Real x) { - return pow<2>(x) * pow<2>(x); +template +PORTABLE_FORCEINLINE_FUNCTION constexpr auto ipow10() { + return pow

(10); } PORTABLE_FORCEINLINE_FUNCTION auto pow10(const Real x) { constexpr Real ln10 = 2.30258509299405e+00; - return std::exp(ln10*x); + return std::exp(ln10 * x); } } // namespace math_utils diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index e95b50e3fa..b546a785da 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -107,6 +107,7 @@ class HelmholtzElectrons { using DataBox = HelmUtils::DataBox; static constexpr std::size_t NDERIV = HelmUtils::NDERIV; + HelmholtzElectrons() = default; inline HelmholtzElectrons(const std::string &filename) { InitDataFile_(filename); } inline HelmholtzElectrons GetOnDevice(); @@ -155,18 +156,26 @@ class HelmholtzElectrons { static constexpr std::size_t NTEMP = 101; static constexpr std::size_t NRHO = 271; - static constexpr Real lTMin_ = 3.0; - static constexpr Real lTMax_ = 13.0; - static constexpr Real lRhoMin_ = -12.0; - static constexpr Real lRhoMax_ = 15.0; + // JMM: Following trick only works because the powers are even powers of 10. + // This is to get compile-time values for log10/powers of 10 + // integer powers + static constexpr int ilTMin_ = 3; + static constexpr int ilTMax_ = 13; + static constexpr int ilRhoMin_ = -12; + static constexpr int ilRhoMax_ = 15; + // real values to auto-cast correctly + static constexpr Real lTMin_ = ilTMin_; + static constexpr Real lTMax_ = ilTMax_; + static constexpr Real lRhoMin_ = ilRhoMin_; + static constexpr Real lRhoMax_ = ilRhoMax_; static constexpr Real dlT_ = (lTMax_ - lTMin_) / (static_cast(NTEMP) - 1.0); static constexpr Real dlRho_ = (lRhoMax_ - lRhoMin_) / (static_cast(NRHO) - 1.0); - const Real TMin_ = math_utils::pow10(lTMin_); - const Real TMax_ = math_utils::pow10(lTMax_); - const Real rhoMin_ = math_utils::pow10(lRhoMin_); - const Real rhoMax_ = math_utils::pow10(rhoMax_); + static constexpr Real TMin_ = math_utils::ipow10(); + static constexpr Real TMax_ = math_utils::ipow10(); + static constexpr Real rhoMin_ = math_utils::ipow10(); + static constexpr Real rhoMax_ = math_utils::ipow10(); }; // Currently trivial. But we may want to swap this out at some point, @@ -200,8 +209,9 @@ class HelmIon { static constexpr Real KBi = 1.0 / KB; static constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ static constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ - const Real LSWOT15 = - 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); + // 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); + static constexpr Real LSWOT15 = 4.66826127417042e+01; + HelmIon() = default; HelmIon GetOnDevice() { return *this; } @@ -323,27 +333,35 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION Real TemperatureFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { + Real rl= rho; + Real el = sie; Real temperature, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::temperature, lambda); + FillEos(rl, temperature, el, p, cv, bmod, thermalqs::temperature, lambda); return temperature; } PORTABLE_INLINE_FUNCTION Real InternalEnergyFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real rl = rho; + Real tl = temperature; Real sie, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::specific_internal_energy, + FillEos(rl, tl, sie, p, cv, bmod, thermalqs::specific_internal_energy, lambda); return sie; } PORTABLE_INLINE_FUNCTION Real PressureFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real rl = rho; + Real tl = temperature; Real sie, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::pressure, lambda); + FillEos(rl, tl, sie, p, cv, bmod, thermalqs::pressure, lambda); return p; } PORTABLE_INLINE_FUNCTION Real PressureFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { + Real rl = rho; + Real el = sie; Real temperature, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, + FillEos(rl, temperature, el, p, cv, bmod, thermalqs::pressure | thermalqs::temperature, lambda); return p; } From bb30cbc67d416313281f7e2ac34ea8e953a9db65 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 17:03:53 -0600 Subject: [PATCH 13/65] lots more little mistakes --- singularity-eos/eos/eos_helmholtz.hpp | 47 ++++++++++++++++----------- 1 file changed, 28 insertions(+), 19 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index b546a785da..e5028c96b9 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -373,27 +373,35 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION Real SpecificHeatFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real rl = rho; + Real tl = temperature; Real sie, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::specific_heat, lambda); + FillEos(rl, tl, sie, p, cv, bmod, thermalqs::specific_heat, lambda); return cv; } PORTABLE_INLINE_FUNCTION Real SpecificHeatFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { + Real rl = rho; + Real el = sie; Real temperature, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, + FillEos(rl, temperature, el, p, cv, bmod, thermalqs::specific_heat | thermalqs::temperature, lambda); - return cv + return cv; } PORTABLE_INLINE_FUNCTION Real BulkModulusFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real rl = rho; + Real tl = temperature; Real sie, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, thermalqs::bulk_modulus, lambda); + FillEos(rl, tl, sie, p, cv, bmod, thermalqs::bulk_modulus, lambda); return bmod; } PORTABLE_INLINE_FUNCTION Real BulkModulusFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { + Real rl = rho; + Real el = sie; Real temperature, p, cv, bmod; - FillEos(rho, temperature, sie, p, cv, bmod, + FillEos(rl, temperature, el, p, cv, bmod, thermalqs::bulk_modulus | thermalqs::temperature, lambda); return bmod; } @@ -430,7 +438,7 @@ class Helmholtz : public EosBase { private: PORTABLE_INLINE_FUNCTION Real ComputeGamma1_(const Real rho, const Real T, const Real p[NDERIV], - const Real e[NDERIV]) { + const Real e[NDERIV]) const { using namespace HelmUtils; const Real chit = robust::ratio(T, p[0]) * p[DDT]; const Real chid = robust::ratio(p[DDR] * rho, p[0]); @@ -478,7 +486,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real &cv, Real &bmod, const unsigned long output, - Real *lambda = nullptr) const { + Real *lambda) const { using namespace HelmUtils; bool need_temp = (output & thermalqs::temperature); bool need_sie = (output & thermalqs::specific_internal_energy); @@ -488,7 +496,7 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & "Either specific internal energy or temperature must be provided."); Real abar = lambda[Lambda::Abar]; Real zbar = lambda[Lambda::Zbar]; - Real ytot, ye, ywot, De, lDe; + Real ytot, ye, ywot, De, lDe, lT; GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); if (need_temp) { lT = lTFromRhoSie_(rho, energy, abar, zbar, ye, ytot, ywot, De, lDe, lambda); @@ -500,7 +508,7 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep); if (output & thermalqs::temperature) { - temperature = math_utils::pow10(lT); + temp = math_utils::pow10(lT); } if (output & thermalqs::specific_internal_energy) { energy = e[0]; @@ -520,7 +528,6 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & // see page 108 of Rezzolla and Zanotti bmod = std::max(robust::EPS(), press * gamma1); } - if (output & thermalqs } PORTABLE_INLINE_FUNCTION @@ -528,6 +535,7 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, const Real zbar, const Real ye, const Real ytot, const Real ywot, const Real De, const Real lDe, Real *lambda) const { + using namespace HelmUtils; const Real abari = robust::ratio(1.0, abar); const Real ni = abari * rho * ions_.NA; const Real ne = zbar * ni; @@ -537,7 +545,7 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, options_.ENABLE_COULOMB_CORRECTIONS) { Real lTguess = lambda[Lambda::lT]; if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { - lTguess = lTAnalytic(rho, e, ni, ne); + lTguess = lTAnalytic_(rho, e, ni, ne); } auto © = *this; // stupid C++17 workaround auto status = ROOT_FINDER( @@ -545,14 +553,14 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; copy.GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep, true); - return e[VAR]; + return e[VAL]; }, e, lTguess, electrons_.lTMin(), electrons_.lTMax(), ROOT_THRESH, ROOT_THRESH, lT); - if (status != Rootfinding1D::Status::SUCCESS) { - lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + if (status != RootFinding1D::Status::SUCCESS) { + lT = lTAnalytic_(rho, e, ni, options_.GAS_IONIZED * ne); } } else { - lT = lTAnalytic(rho, e, ni, options_.GAS_IONIZED * ne); + lT = lTAnalytic_(rho, e, ni, options_.GAS_IONIZED * ne); } lambda[Lambda::lT] = lT; return lT; @@ -604,12 +612,13 @@ inline HelmholtzElectrons HelmholtzElectrons::GetOnDevice() { other.dpdfdt_ = Spiner::getOnDeviceDataBox(dpdfdt_); other.ef_ = Spiner::getOnDeviceDataBox(ef_); other.efd_ = Spiner::getOnDeviceDataBox(efd_); - other.eft_ = Spiner::getOnDeviceDataBox(eftf_); - other.efdtf_ = Spiner::getOnDeviceDataBox(efdt_); + other.eft_ = Spiner::getOnDeviceDataBox(eft_); + other.efdt_ = Spiner::getOnDeviceDataBox(efdt_); other.xf_ = Spiner::getOnDeviceDataBox(xf_); other.xfd_ = Spiner::getOnDeviceDataBox(xfd_); other.xft_ = Spiner::getOnDeviceDataBox(xft_); other.xfdt_ = Spiner::getOnDeviceDataBox(xfdt_); + return other; } inline void HelmholtzElectrons::Finalize() { @@ -631,7 +640,7 @@ inline void HelmholtzElectrons::Finalize() { ef_.finalize(); efd_.finalize(); eft_.finalize(); - efdtf_.finalize(); + efdt_.finalize(); xf_.finalize(); xfd_.finalize(); xft_.finalize(); @@ -643,7 +652,7 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R Real De, Real lDe, Real pele[NDERIV], Real eele[NDERIV], Real sele[NDERIV], Real etaele[NDERIV], Real xne[NDERIV], - bool only_e = false) const { + bool only_e) const { // Bound lRho, lT rho = std::min(rhoMax_, std::max(rhoMin_, rho)); De = std::min(rhoMax_, std::max(rhoMin_, De)); From fab0fe89a4ee5192d8046aa419b9d7cf0a501f1e Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 17:05:14 -0600 Subject: [PATCH 14/65] bind ranges by value instead of reference --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index e5028c96b9..8cbfc8c777 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -660,8 +660,8 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R Real T = math_utils::pow10(lT); // Find central indexes in table - auto &lRhoRange = f_.range(0); - auto &lTRange = f_.range(1); + auto lRhoRange = f_.range(0); + auto lTRange = f_.range(1); int iat = lRhoRange.index(lDe); // auto bounded int jat = lTRange.index(lT); From 58cae76cacdcaa82e7a09a9492fbaef2e5f7edff Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 17:08:27 -0600 Subject: [PATCH 15/65] getting there --- singularity-eos/eos/eos_helmholtz.hpp | 29 ++++++++++++++------------- 1 file changed, 15 insertions(+), 14 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 8cbfc8c777..d697c02e9e 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -912,7 +912,7 @@ void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, R pele[0] = x * df_d; pele[2] = x * df_dt; // pele[1] = ye * (x * df_dd + 2.0 * din * df_d); - s = pele[1] / Ye - 2.0 * De * df_d; + Real s = pele[1] / Ye - 2.0 * De * df_d; pele[3] = -Ytot * (2.0 * pele[0] + s * De); pele[4] = rho * Ytot * (2.0 * De * df_d + s); @@ -938,7 +938,7 @@ void HelmRad::GetFromDensityTemperature(const Real rho, const Real temp, const Real rhoi = robust::ratio(1.0, rho); const Real tempi = robust::ratio(1.0, temp); const Real T3 = math_utils::pow<3>(temp); - const Real T4 = T3 * T; + const Real T4 = T3 * temp; // pressure Real P = PREFACTOR * T4; Real dPdT = 4.0 * PREFACTOR * T3; @@ -961,6 +961,7 @@ void HelmRad::GetFromDensityTemperature(const Real rho, const Real temp, // entropy constexpr Real dPdR = 0; + const Real dEdR = erad[DDR]; Real s = (PoR + e) * tempi; Real dsdR = ((dPdR - PoR) * rhoi + dEdR) * tempi; Real dsdT = (dPdT * rhoi + dedT - s) * tempi; @@ -980,10 +981,10 @@ void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const R using namespace HelmUtils; const Real kbT = KB * temp; // pressure - P = xni * kbT; - dPdR = dxnidd * kbT; - dPdT = xni * KB; - dPdA = dxnida * kbT; + const Real P = xni * kbT; + const Real dPdR = dxnidd * kbT; + const Real dPdT = xni * KB; + const Real dPdA = dxnida * kbT; pion[VAL] = P; pion[DDR] = dPdR; pion[DDT] = dPdT; @@ -993,10 +994,10 @@ void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const R // energy const Real rhoi = robust::ratio(1.0, rho); const Real PoR = P * rhoi; - e = 1.5 * PoR; - dedR = (1.5 * dPdR - e) * rhoi; - dedT = 1.5 * dPdT * rhoi; - dedA = 1.5 * dPdA * rhoi; + const Real e = 1.5 * PoR; + const Real dedR = (1.5 * dPdR - e) * rhoi; + const Real dedT = 1.5 * dPdT * rhoi; + const Real dedA = 1.5 * dPdA * rhoi; eion[VAL] = e; eion[DDR] = dedR; eion[DDT] = dedT; @@ -1006,10 +1007,10 @@ void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const R // entropy const Real tempi = robust::ratio(1.0, temp); const Real KBNAY = KBNA * ytot; - s = (PoR + e) * itemp + KBNAY * y; - dsdR = (dPdR * rhoi - P * rhoi * rhoi + dedR) * tempi - KBNAY * rhoi; - dsdT = (dPdT * rhoi + dedT) * tempi - (PoR + e) * tempi * tempi + 1.5 * KBNAY * tempi; - dsdA = (dPdA * rhoi + dedA) * tempi + KBNAY * ytot * (2.5 - y); + const Real s = (PoR + e) * tempi + KBNAY * y; + const Real dsdR = (dPdR * rhoi - P * rhoi * rhoi + dedR) * tempi - KBNAY * rhoi; + const Real dsdT = (dPdT * rhoi + dedT) * tempi - (PoR + e) * tempi * tempi + 1.5 * KBNAY * tempi; + const Real dsdA = (dPdA * rhoi + dedA) * tempi + KBNAY * ytot * (2.5 - y); sion[VAL] = s; sion[DDR] = dsdR; sion[DDT] = dsdT; From 7c7ab75a6450d821f2f912b77c94e2e9abc2c3da Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 29 Jun 2023 17:14:56 -0600 Subject: [PATCH 16/65] hey it compiles! No guarantees it's right though. --- singularity-eos/eos/eos.hpp | 2 +- singularity-eos/eos/eos_helmholtz.hpp | 32 +++++++++++++-------------- test/test_eos_helmholtz.cpp | 4 +--- 3 files changed, 17 insertions(+), 21 deletions(-) diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index ee559297bc..ec278dff1c 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -36,11 +36,11 @@ #include #include #include +#include #include #include #include #include -#include #include // Modifiers diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index d697c02e9e..d95dd4a5d2 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -68,7 +68,7 @@ inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Rea } template inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Real r0max, - DataBox &head, Args &&... tail) { + DataBox &head, Args &&...tail) { ResizeTables(n1, r1min, r1max, n0, r0min, r0max, head); ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tail)...); } @@ -81,14 +81,14 @@ inline void Read(std::ifstream &file, Msg_t &error_msg, T &var) { } } template -inline void Read(std::ifstream &file, Msg_t &error_msg, T &head, Args &&... tail) { +inline void Read(std::ifstream &file, Msg_t &error_msg, T &head, Args &&...tail) { Read(file, error_msg, head); Read(file, error_msg, std::forward(tail)...); } // Read all i,j from text file template inline void SetTablesFromFile(std::ifstream &file, int n1, Real r1min, Real r1max, int n0, - Real r0min, Real r0max, Args &&... tables) { + Real r0min, Real r0max, Args &&...tables) { ResizeTables(n1, r1min, r1max, n0, r0min, r0max, std::forward(tables)...); for (int j = 0; j < n1; ++j) { for (int i = 0; i < n0; ++i) { @@ -212,7 +212,6 @@ class HelmIon { // 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); static constexpr Real LSWOT15 = 4.66826127417042e+01; - HelmIon() = default; HelmIon GetOnDevice() { return *this; } void Finalize() {} @@ -281,9 +280,7 @@ class Helmholtz : public EosBase { }; Helmholtz() = default; - Helmholtz(const std::string &filename) - : electrons_(filename) { - } + Helmholtz(const std::string &filename) : electrons_(filename) {} Helmholtz(const std::string &filename, Options options) : electrons_(filename), options_(options) {} @@ -333,7 +330,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION Real TemperatureFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { - Real rl= rho; + Real rl = rho; Real el = sie; Real temperature, p, cv, bmod; FillEos(rl, temperature, el, p, cv, bmod, thermalqs::temperature, lambda); @@ -344,8 +341,7 @@ class Helmholtz : public EosBase { Real rl = rho; Real tl = temperature; Real sie, p, cv, bmod; - FillEos(rl, tl, sie, p, cv, bmod, thermalqs::specific_internal_energy, - lambda); + FillEos(rl, tl, sie, p, cv, bmod, thermalqs::specific_internal_energy, lambda); return sie; } PORTABLE_INLINE_FUNCTION Real PressureFromDensityTemperature( @@ -448,7 +444,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION void GetElectronDensities_(const Real rho, const Real abar, const Real zbar, Real &ytot, - Real &ye, Real &ywot, Real &De, Real &lDe) const { + Real &ye, Real &ywot, Real &De, Real &lDe) const { ytot = robust::ratio(1.0, abar); ye = zbar * ytot; // TODO(JMM): should we be passing around logrho maybe? @@ -485,8 +481,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real &cv, - Real &bmod, const unsigned long output, - Real *lambda) const { + Real &bmod, const unsigned long output, Real *lambda) const { using namespace HelmUtils; bool need_temp = (output & thermalqs::temperature); bool need_sie = (output & thermalqs::specific_internal_energy); @@ -1009,7 +1004,8 @@ void HelmIon::GetFromDensityTemperature(const Real rho, const Real temp, const R const Real KBNAY = KBNA * ytot; const Real s = (PoR + e) * tempi + KBNAY * y; const Real dsdR = (dPdR * rhoi - P * rhoi * rhoi + dedR) * tempi - KBNAY * rhoi; - const Real dsdT = (dPdT * rhoi + dedT) * tempi - (PoR + e) * tempi * tempi + 1.5 * KBNAY * tempi; + const Real dsdT = + (dPdT * rhoi + dedT) * tempi - (PoR + e) * tempi * tempi + 1.5 * KBNAY * tempi; const Real dsdA = (dPdA * rhoi + dedA) * tempi + KBNAY * ytot * (2.5 - y); sion[VAL] = s; sion[DDR] = dsdR; @@ -1041,11 +1037,13 @@ void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, const Real kbT = KB * temp; const Real pion = xni * kbT; const Real dpiondd = dxnidd * kbT; + const Real dpiondt = xni * KB; const Real dpionda = dxnida * kbT; + constexpr Real dpiondz = 0.0; constexpr Real four_thirds = 4.0 / 3.0; constexpr Real ftpi = four_thirds * M_PI; - const Real s = ftpi * xni; + Real s = ftpi * xni; const Real dsdd = ftpi * dxnidd; const Real dsda = ftpi * dxnida; @@ -1055,7 +1053,7 @@ void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, const Real lamidd = -lami * one_third * dsdd * si; const Real lamida = -lami * one_third * dsda * si; - const Real plasg = math_utils::pow<2>(ELECTRON_CHARGE_ESU * zbar) / (kt * lami); + const Real plasg = math_utils::pow<2>(ELECTRON_CHARGE_ESU * zbar) / (kbT * lami); const Real plasg_o_lami = robust::ratio(plasg, lami); const Real plasgdd = -plasg_o_lami * lamidd; const Real plasgda = -plasg_o_lami * lamida; @@ -1159,7 +1157,7 @@ void Helmholtz::GetFromDensityLogTemperature_( const Real ytot, const Real ywot, const Real De, const Real lDe, Real p[NDERIV], Real e[NDERIV], Real s[NDERIV], Real etaele[NDERIV], Real nep[NDERIV], // TODO(JMM): Decide which of the quantities below to keep - const bool only_e = false) const { + const bool only_e) const { double prad[NDERIV] = {0}, pion[NDERIV] = {0}, pele[NDERIV] = {0}, pcoul[NDERIV] = {0}; double erad[NDERIV] = {0}, eion[NDERIV] = {0}, eele[NDERIV] = {0}, ecoul[NDERIV] = {0}; double srad[NDERIV] = {0}, sion[NDERIV] = {0}, sele[NDERIV] = {0}, scoul[NDERIV] = {0}; diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 1b3d062ddf..c4fec0ad28 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -34,7 +34,5 @@ using singularity::Helmholtz; const std::string filename = "helm_table.dat"; SCENARIO("Helmholtz equation of state", "[HelmholtzEOS]") { - GIVEN("A helholtz EOS") { - Helmholtz eos(filename); - } + GIVEN("A helholtz EOS") { Helmholtz eos(filename); } } From 0fed42ed63d9168e219619773a594d114f6d95ea Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Fri, 30 Jun 2023 10:45:59 -0600 Subject: [PATCH 17/65] thread helmholtz into CI but no real tests ATM --- .github/workflows/tests.yml | 1 + CMakeLists.txt | 1 + singularity-eos/eos/eos_helmholtz.hpp | 172 ++++++++++++++++++++++---- test/CMakeLists.txt | 28 ++++- test/test_eos_helmholtz.cpp | 7 +- 5 files changed, 184 insertions(+), 25 deletions(-) diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 90dedae896..0a3a05ecc2 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -37,6 +37,7 @@ jobs: -DSINGULARITY_TEST_SESAME=OFF \ -DSINGULARITY_TEST_PYTHON=ON \ -DSINGULARITY_TEST_STELLAR_COLLAPSE=ON \ + -DSINGULARITY_TEST_HELMHOLTZ=ON \ .. make make install diff --git a/CMakeLists.txt b/CMakeLists.txt index ccfb835d0a..06ccdf74e2 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -49,6 +49,7 @@ option (SINGULARITY_SUBMODULE_MODE "Submodule mode" OFF) option (SINGULARITY_BUILD_CLOSURE "Mixed cell closure" ON) option (SINGULARITY_TEST_SESAME "Test the Sesame table readers" OFF) option (SINGULARITY_TEST_STELLAR_COLLAPSE "Test the stellar collapse table readers" OFF) +option (SINGULARITY_EOS_TEST_HELMHOLTZ "Test the helmholtz table reader" OFF) option (SINGULARITY_TEST_PYTHON "Test the Python bindings" OFF) option (SINGULARITY_USE_SINGLE_LOGS "Use single precision logs. Can harm accuracy." OFF) option (SINGULARITY_USE_TRUE_LOG_GRIDDING "Use grids that conform to log spacing." OFF) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index d95dd4a5d2..15d3a0acd0 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -50,6 +50,87 @@ #define ROOT_FINDER (RootFinding1D::regula_falsi) +/* + * The singularity-eos implementation of the Helmhotlz equation of state + * provided by Timmes, and Swesty + * Astrophysical Journal Supplements, Volume 126, Issue 2, Page 501 (2000). + * + * Port primarily by Jonah Miller with assistance from Philipp + * Edelmann, Sam Jones, and the 2023 Co-Design Summer School. + * + * The Helmholtz EOS is a three part thermodynamically consistent EOS + * for a hot, ionized gas. It consists of a thermal radiation term: + * + * P = sigma T^4 + * + * an ions term, treated as an ideal gas: + * + * P = (gamma - 1) rho e + * + * and a degenerate electron term. Additionally, coulomb force + * corrections can be applied on top of the full model. + * + * This multi-component model depends on the relative abundances of + * electrons and ions, as well as the atomic mass and charge of the + * ions. As such, the Helmholtz EOS requires two additional indepenent + * variables, the average atomic mass, Abar, and the average atomic + * number, Zbar. These are passed in through the lambda pointer. As + * with the other tabulated EOS's, the log of the temperature is also + * stored in the lambda pointer as a cache for root finding. + * + * From the density, Abar, and Zbar, several convenient derived + * quantities can be comnputed, which are used internally. These are: + * + * - the ratio of electron number to Baryon number, called electron + * fraction, or Ye, + * - The ion number fraction Ytot + * - The electron number density De + * - The log10 of De, lDe + * - Additionally a convenience ration, ywot, is used to set atomic + * mass for the EOS if the gas is not ionized. + * + * The degenerate electron term is computed via thermodynamic + * derivatives of the Helmholtz free energy (hence the name Helmholtz + * EOS). The free energy is pre-computed via integrals over the Fermi + * sphere and tabulated in a file, helmholtz/helm_table.dat, provided + * from + * + * https://cococubed.com/code_pages/eos.shtml + * + * The table is a simple small ascii file. To ensure thermodyanic + * consistency, the table is interpolated using either biquintic or + * bicubic Hermite polynomials, which are sufficiently high order that + * their high-order derivatives match the underlying data. + * + * The implication of interpolating from the free energy is that each + * EOS evaluation provides ALL relevant EOS data and thermodynamic + * derivatives. Thus the per-quantity EOS calls are relatively + * inefficient, and it is instead better to use the FillEos call to + * get the entire model at once. + * + * For this reason, each internal EOS function fills 5 arrays, each + * containing relevant thermodynamic quantities and their derivatives + * with respect to the independent variables, density, temperature, + * abar, and zbar (in that order): + * - p = pressure + * - e = specific internal energy + * - s = entropy + * - etaele = checmical potential of electrons + * - xne = number density of electron + positron pairs + * + * From a design standpoint, I have split each piece of the EOS off + * and only combined them in the final "Helmholtz" class. The + * component classes are HelmRad, HelmIons, HelmCoul, and + * HelmElectrons. Right now, they are hardcoded, but I chose this + * modular design with the intent, that these classes might be + * hot-swapped with more sophisticated treatments down the line. + * + * Note that while singularity-eos has an ideal gas EOS, it's not + * written in terms of fundamental quantities like atomic mass, which + * made the translation cumbersom, so I just ported the reference + * implementation. + */ + namespace singularity { using namespace eos_base; @@ -57,8 +138,12 @@ using namespace eos_base; // ASCII-utils file. Worth considering at some later date. namespace HelmUtils { using DataBox = Spiner::DataBox; + +// Components of the arrays returned by internal routines: +// Variable, derivs w.r.t density, temperature, abar, zbar constexpr std::size_t NDERIV = 5; enum DERIV { VAL = 0, DDR = 1, DDT = 2, DDA = 3, DDZ = 4 }; + // Tail-recursive resize tables inline void ResizeTables(int n1, Real r1min, Real r1max, int n0, Real r0min, Real r0max, DataBox &db) { @@ -101,16 +186,16 @@ inline void SetTablesFromFile(std::ifstream &file, int n1, Real r1min, Real r1ma } } // namespace HelmUtils -class HelmholtzElectrons { +class HelmElectrons { public: // may change with time using DataBox = HelmUtils::DataBox; static constexpr std::size_t NDERIV = HelmUtils::NDERIV; - HelmholtzElectrons() = default; - inline HelmholtzElectrons(const std::string &filename) { InitDataFile_(filename); } + HelmElectrons() = default; + inline HelmElectrons(const std::string &filename) { InitDataFile_(filename); } - inline HelmholtzElectrons GetOnDevice(); + inline HelmElectrons GetOnDevice(); inline void Finalize(); PORTABLE_INLINE_FUNCTION @@ -361,11 +446,19 @@ class Helmholtz : public EosBase { thermalqs::pressure | thermalqs::temperature, lambda); return p; } - // TODO: Do entropy + PORTABLE_INLINE_FUNCTION Real EntropyFromDensityTemperature( - const Real rho, const Real temperature, Real *lambda = nullptr) const; + const Real rho, const Real temperature, Real *lambda = nullptr) const { + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + GetFromDensityTemperature_(rho, temperature, lambda, p, e, s, etaele, nep); + return s[HelmUtils::VAL]; + } PORTABLE_INLINE_FUNCTION Real EntropyFromDensityInternalEnergy( - const Real rho, const Real sie, Real *lambda = nullptr) const; + const Real rho, const Real sie, Real *lambda = nullptr) const { + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + GetFromDensityInternalEnergy_(rho, sie, lambda, p, e, s, etaele, nep); + return s[HelmUtils::VAL]; + } PORTABLE_INLINE_FUNCTION Real SpecificHeatFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { @@ -401,13 +494,23 @@ class Helmholtz : public EosBase { thermalqs::bulk_modulus | thermalqs::temperature, lambda); return bmod; } - // TODO: Do Gruneisen + PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityTemperature( const Real rho, const Real temperature, Real *lambda = nullptr) const { - // const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); + using namespace HelmUtils; + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + GetFromDensityTemperature_(rho, temperature, lambda, p, e, s, etaele, nep); + const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); + return robust::ratio(dPdE, rho); } PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityInternalEnergy( - const Real rho, const Real sie, Real *lambda = nullptr) const; + const Real rho, const Real sie, Real *lambda = nullptr) const { + using namespace HelmUtils; + Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; + GetFromDensityInternalEnergy_(rho, sie, lambda, p, e, s, etaele, nep); + const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); + return robust::ratio(dPdE, rho); + } PORTABLE_INLINE_FUNCTION void FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real &cv, Real &bmod, @@ -458,6 +561,33 @@ class Helmholtz : public EosBase { return (2.0 / 3.0) * robust::ratio(e * rho, ni + ne) * ions_.KBi; } + PORTABLE_INLINE_FUNCTION + void GetFromDensityTemperature_(const Real rho, const Real temperature, Real *lambda, + Real p[NDERIV], Real e[NDERIV], Real s[NDERIV], + Real etaele[NDERIV], Real nep[NDERIV]) const { + Real abar = lambda[Lambda::Abar]; + Real zbar = lambda[Lambda::Zbar]; + Real lT = std::log10(temperature); + lambda[Lambda::lT] = lT; + Real ytot, ye, ywot, De, lDe; + GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); + GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + etaele, nep); + } + + PORTABLE_INLINE_FUNCTION + void GetFromDensityInternalEnergy_(const Real rho, const Real sie, Real *lambda, + Real p[NDERIV], Real e[NDERIV], Real s[NDERIV], + Real etaele[NDERIV], Real nep[NDERIV]) const { + Real abar = lambda[Lambda::Abar]; + Real zbar = lambda[Lambda::Zbar]; + Real ytot, ye, ywot, De, lDe; + GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); + Real lT = lTFromRhoSie_(rho, sie, abar, zbar, ye, ytot, ywot, De, lDe, lambda); + GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + etaele, nep); + } + PORTABLE_INLINE_FUNCTION void GetFromDensityLogTemperature_( const Real rho, const Real lT, const Real abar, const Real zbar, const Real ye, @@ -476,7 +606,7 @@ class Helmholtz : public EosBase { HelmRad rad_; HelmIon ions_; HelmCoulomb coul_; - HelmholtzElectrons electrons_; + HelmElectrons electrons_; }; PORTABLE_INLINE_FUNCTION @@ -561,11 +691,11 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, return lT; } -inline void HelmholtzElectrons::InitDataFile_(const std::string &filename) { +inline void HelmElectrons::InitDataFile_(const std::string &filename) { using namespace HelmUtils; std::ifstream file(filename); PORTABLE_ALWAYS_REQUIRE(file.is_open(), - "HelmholtzElectrons file " + filename + " not found!"); + "HelmElectrons file " + filename + " not found!"); SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_); SetTablesFromFile(file, NTEMP, lTMin_, lTMax_, NRHO, lRhoMin_, lRhoMax_, dpdf_, dpdfd_, @@ -588,8 +718,8 @@ inline void HelmholtzElectrons::InitDataFile_(const std::string &filename) { } } -inline HelmholtzElectrons HelmholtzElectrons::GetOnDevice() { - HelmholtzElectrons other; +inline HelmElectrons HelmElectrons::GetOnDevice() { + HelmElectrons other; other.rho_ = Spiner::getOnDeviceDataBox(rho_); other.T_ = Spiner::getOnDeviceDataBox(T_); other.f_ = Spiner::getOnDeviceDataBox(f_); @@ -616,7 +746,7 @@ inline HelmholtzElectrons HelmholtzElectrons::GetOnDevice() { return other; } -inline void HelmholtzElectrons::Finalize() { +inline void HelmElectrons::Finalize() { rho_.finalize(); T_.finalize(); f_.finalize(); @@ -643,11 +773,11 @@ inline void HelmholtzElectrons::Finalize() { } PORTABLE_INLINE_FUNCTION -void HelmholtzElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Ytot, - Real De, Real lDe, Real pele[NDERIV], - Real eele[NDERIV], Real sele[NDERIV], - Real etaele[NDERIV], Real xne[NDERIV], - bool only_e) const { +void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Ytot, + Real De, Real lDe, Real pele[NDERIV], + Real eele[NDERIV], Real sele[NDERIV], + Real etaele[NDERIV], Real xne[NDERIV], + bool only_e) const { // Bound lRho, lT rho = std::min(rhoMax_, std::max(rhoMin_, rho)); De = std::min(rhoMax_, std::max(rhoMin_, De)); diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 85179188aa..9b69d7cf30 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -12,13 +12,19 @@ # publicly and display publicly, and to permit others to do so. #------------------------------------------------------------------------------ -add_executable(eos_unit_tests +set(TST_SRCS catch2_define.cpp eos_unit_test_helpers.hpp test_eos_unit.cpp test_eos_gruneisen.cpp test_eos_vinet.cpp -) + ) + +if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_HELMHOLTZ) + list(APPEND TST_SRCS test_eos_helmholtz.cpp) +endif() + +add_executable(eos_unit_tests ${TST_SRCS}) if(SINGULARITY_USE_HDF5) if(SINGULARITY_TEST_SESAME) @@ -76,6 +82,24 @@ if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_STELLAR_COLLAPSE) target_link_libraries(profile_stellar_collapse singularity-eos::singularity-eos) endif() +# The HDF5 dependency isn't really supposed to be here +# Also should this be downloaded for all helm builds not just testing? +if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_HELMHOLTZ) + set(HELMHOLTZ_DATA_URL https://cococubed.com/codes/eos/helmholtz.tbz) + message(STATUS "Attempting to download Helmholtz data file for tests. " + "File is located at ${HELMHOLTZ_DATA_URL}. " + "File will be saved to ${CMAKE_CURRENT_BINARY_DIR}/helmholtz. " + "If you do not want to download this file, you can set -DSINGULARITY_TEST_HELMHOLTZ=OFF." + ) + include(FetchContent) + FetchContent_Declare(helmdata + URL ${HELMHOLTZ_DATA_URL} + URL_HASH SHA256=fc55ca3b188598ed19f9dbf63bacf1033676a22d2065f420b67375a493b91eeb + SOURCE_DIR ${CMAKE_CURRENT_BINARY_DIR} + ) + FetchContent_MakeAvailable(helmdata) +endif() + if (SINGULARITY_BUILD_PYTHON AND SINGULARITY_TEST_PYTHON) find_package(Python COMPONENTS Interpreter Development REQUIRED) set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${CMAKE_BINARY_DIR}/python:$ENV{PYTHONPATH}) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index c4fec0ad28..df822286e9 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -32,7 +32,10 @@ #include using singularity::Helmholtz; -const std::string filename = "helm_table.dat"; +const std::string filename = "test/helmholtz/helm_table.dat"; SCENARIO("Helmholtz equation of state", "[HelmholtzEOS]") { - GIVEN("A helholtz EOS") { Helmholtz eos(filename); } + GIVEN("A helholtz EOS") { + Helmholtz eos(filename); + THEN("We loaded the file!") { REQUIRE(true); } + } } From 3c695571066833c93e87da4b095c4ed1374b783e Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Fri, 30 Jun 2023 10:46:17 -0600 Subject: [PATCH 18/65] add helmholtz documentation --- doc/sphinx/src/models.rst | 57 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 57 insertions(+) diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index b491f6da83..f77392f43d 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1138,6 +1138,63 @@ indicates log base 10. .. _median filter: https://en.wikipedia.org/wiki/Median_filter +Helmholtz EOS +`````````````` + +This is a performance portable implementation of the Helmholtz +equation of state provided by `Timmes and Swesty`_. The Helmholtz EOS +is a three part thermodynamically consistent EOS for a hot, ionized +gas. It consists of a thermal radiation term: + +.. math:: + + P = sigma T^4 + +an ions term, treated as an ideal gas: + +.. math:: + + P = (gamma - 1) rho e + +and a degenerate electron term. Additionally, coulomb force +corrections can be applied on top of the full model. This +multi-component model depends on the relative abundances of electrons +and ions, as well as the atomic mass and charge of the ions. As such, +the Helmholtz EOS requires two additional indepenent variables, the +average atomic mass, Abar, and the average atomic number, Zbar. These +are passed in through the lambda pointer. As with the other tabulated +EOS's, the log of the temperature is also stored in the lambda pointer +as a cache for root finding. + +The degenerate electron term is computed via thermodynamic derivatives +of the Helmholtz free energy (hence the name Helmholtz EOS). The free +energy is pre-computed via integrals over the Fermi sphere and +tabulated in a file provided from `Frank Timmes's website`_. + +The table is a simple small ascii file. To ensure thermodyanic +consistency, the table is interpolated using either biquintic or +bicubic Hermite polynomials, which are sufficiently high order that +their high-order derivatives match the underlying data. + +.. note:: + + The implication of interpolating from the free energy is that each + EOS evaluation provides ALL relevant EOS data and thermodynamic + derivatives. Thus the per-quantity EOS calls are relatively + inefficient, and it is instead better to use the FillEos call to + get the entire model at once. + +The Helmholtz EOS is instantiated by passing in the path to the +relevant table: + +.. code-block:: + + Helmholtz(const std::string &filename) + +.. _Timmes and Swesty: https://doi.org/10.1086/313304 + +.. _Frank Timmes's website: https://cococubed.com/code_pages/eos.shtml + EOSPAC EOS ```````````` From 3d30aa4d04e5be9755c55de7ab30f55dceaef866 Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Fri, 30 Jun 2023 10:49:14 -0600 Subject: [PATCH 19/65] minor fixes --- doc/sphinx/src/models.rst | 10 +++++++++- singularity-eos/eos/eos_helmholtz.hpp | 7 ++++++- 2 files changed, 15 insertions(+), 2 deletions(-) diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index f77392f43d..1a98dea91e 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1164,7 +1164,15 @@ the Helmholtz EOS requires two additional indepenent variables, the average atomic mass, Abar, and the average atomic number, Zbar. These are passed in through the lambda pointer. As with the other tabulated EOS's, the log of the temperature is also stored in the lambda pointer -as a cache for root finding. +as a cache for root finding. Helmholtz provides an enum for indexing +into the lambda: + +* ``Helmholtz::Lambda::Abar`` indexes into the ``Abar`` component of + the lambda array. +* ``Helmholtz::Lambda::Zbar`` indexes into the ``Zbar`` component of + the lambda array. +* ``Helmholtz::Lambda::lT`` indexes into the log temperature cache + inside the lambda array. The degenerate electron term is computed via thermodynamic derivatives of the Helmholtz free energy (hence the name Helmholtz EOS). The free diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 15d3a0acd0..cd5dd495f4 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -230,6 +230,11 @@ class HelmElectrons { // rho and T caches (to go between log/linear scale) DataBox rho_, T_; // Free energy and derivatives + // Convention: + // fd_ = df/drho + // fdd_ = d^2 f/d rho^2 + // fdt_ = d^2 f/d rho dT + // etc DataBox f_, fd_, ft_, fdd_, ftt_, fdt_, fddt_, fdtt_, fddtt_; // derivatives DataBox dpdf_, dpdfd_, dpdft_, dpdfdt_; @@ -351,7 +356,7 @@ class Helmholtz : public EosBase { enum Index { Abar = 0, // Average atomic mass Zbar = 1, // Average atomic number - lT = 4 // log10 temperature. used for root finding. + lT = 3 // log10 temperature. used for root finding. }; }; // Options struct. You can create one of these and modify it to set From 7ed5bd30e719a2731a758e253c4965cd7a3f4542 Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Fri, 30 Jun 2023 11:52:45 -0600 Subject: [PATCH 20/65] Added Helm as valid variant --- singularity-eos/eos/eos.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index ec278dff1c..08b38bb5f0 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -64,7 +64,7 @@ using singularity::detail::transform_variadic_list; // all eos's static constexpr const auto full_eos_list = - tl Date: Fri, 30 Jun 2023 11:53:33 -0600 Subject: [PATCH 21/65] Minor fix for GPU's --- singularity-eos/eos/eos_helmholtz.hpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index cd5dd495f4..0846ad7902 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -784,9 +784,9 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y Real etaele[NDERIV], Real xne[NDERIV], bool only_e) const { // Bound lRho, lT - rho = std::min(rhoMax_, std::max(rhoMin_, rho)); - De = std::min(rhoMax_, std::max(rhoMin_, De)); - lDe = std::min(lRhoMax_, std::max(lRhoMin_, lDe)); + rho = std::min(rhoMax(), std::max(rhoMin(), rho)); + De = std::min(rhoMax(), std::max(rhoMin(), De)); + lDe = std::min(lRhoMax(), std::max(lRhoMin(), lDe)); Real T = math_utils::pow10(lT); // Find central indexes in table From 8d07a53df3a74489821124e4c2f8c55c867ee33e Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Tue, 11 Jul 2023 10:59:17 -0600 Subject: [PATCH 22/65] Add Helmholtz to Python bindings --- python/module.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/python/module.cpp b/python/module.cpp index 6117b72696..1593cbe3e9 100644 --- a/python/module.cpp +++ b/python/module.cpp @@ -110,6 +110,10 @@ PYBIND11_MODULE(singularity_eos, m) { .def_property_readonly("YeMax", &StellarCollapse::YeMax) .def_property_readonly("sieMin", &StellarCollapse::sieMin) .def_property_readonly("sieMax", &StellarCollapse::sieMax); + + eos_class(m, "Helmholtz") + .def(py::init()) + .def(py::init()); #endif #ifdef SINGULARITY_USE_EOSPAC From 40a94a20587f234c0e09a24f8a7abfceab8927bf Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Tue, 11 Jul 2023 13:09:12 -0600 Subject: [PATCH 23/65] fix stencil offsets for column-major --- singularity-eos/eos/eos_helmholtz.hpp | 84 +++++++++++++-------------- 1 file changed, 42 insertions(+), 42 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index cd5dd495f4..d67ab009ac 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -807,40 +807,40 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // contiguous cache of values for helm interp Real fi[36]; fi[0] = f_(jat, iat); - fi[1] = f_(jat + 1, iat); - fi[2] = f_(jat, iat + 1); + fi[1] = f_(jat, iat+1); + fi[2] = f_(jat+1, iat); fi[3] = f_(jat + 1, iat + 1); fi[4] = ft_(jat, iat); - fi[5] = ft_(jat + 1, iat); - fi[6] = ft_(jat, iat + 1); + fi[5] = ft_(jat, iat + 1); + fi[6] = ft_(jat + 1, iat); fi[7] = ft_(jat + 1, iat + 1); fi[8] = ftt_(jat, iat); - fi[9] = ftt_(jat + 1, iat); - fi[10] = ftt_(jat, iat + 1); + fi[9] = ftt_(jat, iat + 1); + fi[10] = ftt_(jat + 1, iat); fi[11] = ftt_(jat + 1, iat + 1); fi[12] = fd_(jat, iat); - fi[13] = fd_(jat + 1, iat); - fi[14] = fd_(jat, iat + 1); + fi[13] = fd_(jat, iat + 1); + fi[14] = fd_(jat + 1, iat); fi[15] = fd_(jat + 1, iat + 1); fi[16] = fdd_(jat, iat); - fi[17] = fdd_(jat + 1, iat); - fi[18] = fdd_(jat, iat + 1); + fi[17] = fdd_(jat, iat + 1); + fi[18] = fdd_(jat + 1, iat); fi[19] = fdd_(jat + 1, iat + 1); fi[20] = fdt_(jat, iat); - fi[21] = fdt_(jat + 1, iat); - fi[22] = fdt_(jat, iat + 1); + fi[21] = fdt_(jat, iat + 1); + fi[22] = fdt_(jat + 1, iat); fi[23] = fdt_(jat + 1, iat + 1); fi[24] = fddt_(jat, iat); - fi[25] = fddt_(jat + 1, iat); - fi[26] = fddt_(jat, iat + 1); + fi[25] = fddt_(jat, iat + 1); + fi[26] = fddt_(jat + 1, iat); fi[27] = fddt_(jat + 1, iat + 1); fi[28] = fdtt_(jat, iat); - fi[29] = fdtt_(jat + 1, iat); - fi[30] = fdtt_(jat, iat + 1); + fi[29] = fdtt_(jat, iat + 1); + fi[30] = fdtt_(jat + 1, iat); fi[31] = fdtt_(jat + 1, iat + 1); fi[32] = fddtt_(jat, iat); - fi[33] = fddtt_(jat + 1, iat); - fi[34] = fddtt_(jat, iat + 1); + fi[33] = fddtt_(jat, iat + 1); + fi[34] = fddtt_(jat + 1, iat); fi[35] = fddtt_(jat + 1, iat + 1); // differences @@ -947,20 +947,20 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // Re-use cache fi[0] = dpdf_(jat, iat); - fi[1] = dpdf_(jat + 1, iat); - fi[2] = dpdf_(jat, iat + 1); + fi[1] = dpdf_(jat, iat + 1); + fi[2] = dpdf_(jat 1 +, iat); fi[3] = dpdf_(jat + 1, iat + 1); fi[4] = dpdft_(jat, iat); - fi[5] = dpdft_(jat + 1, iat); - fi[6] = dpdft_(jat, iat + 1); + fi[5] = dpdft_(jat, iat + 1); + fi[6] = dpdft_(jat + 1, iat); fi[7] = dpdft_(jat + 1, iat + 1); fi[8] = dpdfd_(jat, iat); - fi[9] = dpdfd_(jat + 1, iat); - fi[10] = dpdfd_(jat, iat + 1); + fi[9] = dpdfd_(jat, iat + 1); + fi[10] = dpdfd_(jat + 1, iat); fi[11] = dpdfd_(jat + 1, iat + 1); fi[12] = dpdfdt_(jat, iat); - fi[13] = dpdfdt_(jat + 1, iat); - fi[14] = dpdfdt_(jat, iat + 1); + fi[13] = dpdfdt_(jat, iat + 1); + fi[14] = dpdfdt_(jat + 1, iat); fi[15] = dpdfdt_(jat + 1, iat + 1); // pressure derivative with respect to density @@ -969,20 +969,20 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // chemical potentials fi[0] = ef_(jat, iat); - fi[1] = ef_(jat + 1, iat); - fi[2] = ef_(jat, iat + 1); + fi[1] = ef_(jat, iat + 1); + fi[2] = ef_(jat + 1, iat); fi[3] = ef_(jat + 1, iat + 1); fi[4] = eft_(jat, iat); - fi[5] = eft_(jat + 1, iat); - fi[6] = eft_(jat, iat + 1); + fi[5] = eft_(jat, iat + 1); + fi[6] = eft_(jat + 1, iat); fi[7] = eft_(jat + 1, iat + 1); fi[8] = efd_(jat, iat); - fi[9] = efd_(jat + 1, iat); - fi[10] = efd_(jat, iat + 1); + fi[9] = efd_(jat, iat + 1); + fi[10] = efd_(jat + 1, iat); fi[11] = efd_(jat + 1, iat + 1); fi[12] = efdt_(jat, iat); - fi[13] = efdt_(jat + 1, iat); - fi[14] = efdt_(jat, iat + 1); + fi[13] = efdt_(jat, iat + 1); + fi[14] = efdt_(jat + 1, iat); fi[15] = efdt_(jat + 1, iat + 1); // electron chemical potential etaele @@ -1001,20 +1001,20 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // look in the number density table only once fi[0] = xf_(jat, iat); - fi[1] = xf_(jat + 1, iat); - fi[2] = xf_(jat, iat + 1); + fi[1] = xf_(jat, iat + 1); + fi[2] = xf_(jat + 1, iat); fi[3] = xf_(jat + 1, iat + 1); fi[4] = xft_(jat, iat); - fi[5] = xft_(jat + 1, iat); - fi[6] = xft_(jat, iat + 1); + fi[5] = xft_(jat, iat + 1); + fi[6] = xft_(jat + 1, iat); fi[7] = xft_(jat + 1, iat + 1); fi[8] = xfd_(jat, iat); - fi[9] = xfd_(jat + 1, iat); - fi[10] = xfd_(jat, iat + 1); + fi[9] = xfd_(jat, iat + 1); + fi[10] = xfd_(jat + 1, iat); fi[11] = xfd_(jat + 1, iat + 1); fi[12] = xfdt_(jat, iat); - fi[13] = xfdt_(jat + 1, iat); - fi[14] = xfdt_(jat, iat + 1); + fi[13] = xfdt_(jat, iat + 1); + fi[14] = xfdt_(jat + 1, iat); fi[15] = xfdt_(jat + 1, iat + 1); // electron + positron number densities From 59ad99c202fe0f2df809db6f6ec410f4fc896c09 Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Wed, 12 Jul 2023 11:14:17 -0600 Subject: [PATCH 24/65] add options constructor --- singularity-eos/eos/eos_helmholtz.hpp | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 31604aaadb..309c932207 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -362,6 +362,10 @@ class Helmholtz : public EosBase { // Options struct. You can create one of these and modify it to set // options at initialization struct Options { + Options(const bool rad, const bool gas, const bool coul, const bool ion, + const bool electron) + : ENABLE_RAD(rad), ENABLE_GAS(gas), ENABLE_COULOMB_CORRECTIONS(coul), + GAS_IONIZED(ion), GAS_DEGENERATE(electron) {} bool ENABLE_RAD = true; bool ENABLE_GAS = true; bool ENABLE_COULOMB_CORRECTIONS = true; @@ -373,6 +377,9 @@ class Helmholtz : public EosBase { Helmholtz(const std::string &filename) : electrons_(filename) {} Helmholtz(const std::string &filename, Options options) : electrons_(filename), options_(options) {} + Helmholtz(const std::string &filename, const bool rad, const bool gas, const bool coul, + const bool ion, const bool ele) + : electrons_(filename), options_(rad, gas, coul, ion, ele) {} PORTABLE_INLINE_FUNCTION int nlambda() const noexcept { return 3; } static constexpr unsigned long PreferredInput() { From 7c01149c06f9d13cd94b93bb41678b2775575316 Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Wed, 12 Jul 2023 12:36:15 -0600 Subject: [PATCH 25/65] Fixed typos --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 309c932207..d421b726f5 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -814,7 +814,7 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // contiguous cache of values for helm interp Real fi[36]; fi[0] = f_(jat, iat); - fi[1] = f_(jat, iat+1); + fi[1] = f_(jat, iat + 1); fi[2] = f_(jat+1, iat); fi[3] = f_(jat + 1, iat + 1); fi[4] = ft_(jat, iat); @@ -955,7 +955,7 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y // Re-use cache fi[0] = dpdf_(jat, iat); fi[1] = dpdf_(jat, iat + 1); - fi[2] = dpdf_(jat 1 +, iat); + fi[2] = dpdf_(jat + 1, iat); fi[3] = dpdf_(jat + 1, iat + 1); fi[4] = dpdft_(jat, iat); fi[5] = dpdft_(jat, iat + 1); From 7824da017085fedf9a6e5e5592b2738fcec99db4 Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Wed, 12 Jul 2023 12:50:43 -0600 Subject: [PATCH 26/65] Fixed missing default options constructor --- singularity-eos/eos/eos_helmholtz.hpp | 1 + 1 file changed, 1 insertion(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index d421b726f5..85cfb3e897 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -362,6 +362,7 @@ class Helmholtz : public EosBase { // Options struct. You can create one of these and modify it to set // options at initialization struct Options { + Options() = default; Options(const bool rad, const bool gas, const bool coul, const bool ion, const bool electron) : ENABLE_RAD(rad), ENABLE_GAS(gas), ENABLE_COULOMB_CORRECTIONS(coul), From 53fee9d63d2dc9e5e28b2e72fee1c44c40ea80e2 Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Wed, 12 Jul 2023 12:51:35 -0600 Subject: [PATCH 27/65] Added options to Python bindings --- python/module.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/python/module.cpp b/python/module.cpp index 1593cbe3e9..966b6120fa 100644 --- a/python/module.cpp +++ b/python/module.cpp @@ -113,7 +113,8 @@ PYBIND11_MODULE(singularity_eos, m) { eos_class(m, "Helmholtz") .def(py::init()) - .def(py::init()); + .def(py::init()) + .def(py::init()); #endif #ifdef SINGULARITY_USE_EOSPAC From e7c14eb73af124f3e54a52a35a4c7f1152fcdabb Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Thu, 13 Jul 2023 15:37:22 -0600 Subject: [PATCH 28/65] Set constants to GSL_CONST value --- singularity-eos/eos/eos_helmholtz.hpp | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 85cfb3e897..0c1ed3f94d 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -273,8 +273,8 @@ class HelmElectrons { // radiation EOS at some point. class HelmRad { public: - static constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.670374419e-5; // erg/cm^2/s/K^4 - static constexpr Real CL = 2.998e10; // speed of light. cm/s + static constexpr Real STEFAN_BOLTZMANN_CONSTANT = 5.67040047374e-5; /* g / K^4 s^3 */ + static constexpr Real CL = 2.99792458e10; // speed of light. cm/s static constexpr Real SIG_O_C = STEFAN_BOLTZMANN_CONSTANT / CL; static constexpr Real PREFACTOR = (4. / 3.) * SIG_O_C; static constexpr std::size_t NDERIV = HelmUtils::NDERIV; @@ -293,14 +293,14 @@ class HelmRad { class HelmIon { public: static constexpr std::size_t NDERIV = HelmUtils::NDERIV; - static constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs - static constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + static constexpr Real KB = 1.3806504e-16; // Boltzmann constant in cgs + static constexpr Real NA = 6.02214199e23; // Avogadro's number. 1/mol static constexpr Real KBNA = KB * NA; static constexpr Real KBi = 1.0 / KB; static constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ static constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ - // 1.5 * std::log((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); - static constexpr Real LSWOT15 = 4.66826127417042e+01; + // 1.5 * ln((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); + static constexpr Real LSWOT15 = 4.1628328334193+01; HelmIon() = default; HelmIon GetOnDevice() { return *this; } @@ -317,10 +317,10 @@ class HelmIon { // perhaps that will make it easier to swap out down the line. class HelmCoulomb { public: - static constexpr Real LN10 = 2.30258509299404568401799145468; // ln(10) + static constexpr Real LN10 = 2.30258509299405e+00; // ln(10) static constexpr Real ELECTRON_CHARGE_ESU = 4.80320427e-10; - static constexpr Real KB = 1.3806505e-16; // Boltzmann constant in cgs - static constexpr Real NA = 6.02214129e23; // Avogadro's number. 1/mol + static constexpr Real KB = 1.3806504e-16; // Boltzmann constant in cgs + static constexpr Real NA = 6.02214199e23; // Avogadro's number. 1/mol static constexpr Real KBNA = KB * NA; static constexpr std::size_t NDERIV = HelmUtils::NDERIV; From 3e8a6d24e29329dde05e6481de819293bdcee7ec Mon Sep 17 00:00:00 2001 From: AlexHls Date: Fri, 14 Jul 2023 08:55:33 -0600 Subject: [PATCH 29/65] Formatting --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 0c1ed3f94d..9b0b7df64f 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -300,7 +300,7 @@ class HelmIon { static constexpr Real UNIFIED_ATOMIC_MASS = 1.660538782e-24; /* g */ static constexpr Real PLANCK_H = 6.62606896e-27; /* g cm^2 / s */ // 1.5 * ln((2.0 * M_PI * UNIFIED_ATOMIC_MASS * KB) / (PLANCK_H * PLANCK_H)); - static constexpr Real LSWOT15 = 4.1628328334193+01; + static constexpr Real LSWOT15 = 46.682612633059801; HelmIon() = default; HelmIon GetOnDevice() { return *this; } @@ -816,7 +816,7 @@ void HelmElectrons::GetFromDensityTemperature(Real rho, Real lT, Real Ye, Real Y Real fi[36]; fi[0] = f_(jat, iat); fi[1] = f_(jat, iat + 1); - fi[2] = f_(jat+1, iat); + fi[2] = f_(jat + 1, iat); fi[3] = f_(jat + 1, iat + 1); fi[4] = ft_(jat, iat); fi[5] = ft_(jat, iat + 1); From d42d91233e689414ee0290b691f16c4729e97712 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Fri, 14 Jul 2023 16:00:50 -0600 Subject: [PATCH 30/65] Fixed missing log10 --- singularity-eos/eos/eos_helmholtz.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 9b0b7df64f..5ae48f3301 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -571,7 +571,7 @@ class Helmholtz : public EosBase { PORTABLE_INLINE_FUNCTION Real lTAnalytic_(const Real rho, const Real e, const Real ni, const Real ne) const { - return (2.0 / 3.0) * robust::ratio(e * rho, ni + ne) * ions_.KBi; + return std::log10((2.0 / 3.0) * robust::ratio(e * rho, ni + ne) * ions_.KBi); } PORTABLE_INLINE_FUNCTION From 408719236f43875a0ff512e0a8c306dd4c3b1316 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Thu, 20 Jul 2023 13:26:28 -0600 Subject: [PATCH 31/65] Fix missing getondevice --- singularity-eos/eos/eos_helmholtz.hpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 5ae48f3301..2e25c1e33f 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -742,6 +742,7 @@ inline HelmElectrons HelmElectrons::GetOnDevice() { other.ftt_ = Spiner::getOnDeviceDataBox(ftt_); other.fdt_ = Spiner::getOnDeviceDataBox(fdt_); other.fdd_ = Spiner::getOnDeviceDataBox(fdd_); + other.fddt_ = Spiner::getOnDeviceDataBox(fddt_); other.fdtt_ = Spiner::getOnDeviceDataBox(fdtt_); other.fddtt_ = Spiner::getOnDeviceDataBox(fddtt_); other.dpdf_ = Spiner::getOnDeviceDataBox(dpdf_); @@ -769,6 +770,7 @@ inline void HelmElectrons::Finalize() { ftt_.finalize(); fdt_.finalize(); fdd_.finalize(); + fddt_.finalize(); fdtt_.finalize(); fddtt_.finalize(); dpdf_.finalize(); From 5333e6c93332d9eb19582966c151a7bbdd63b432 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Thu, 20 Jul 2023 16:42:47 -0600 Subject: [PATCH 32/65] Added fallback initial temp guess --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 2e25c1e33f..60a497b479 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -684,6 +684,10 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, Real lTguess = lambda[Lambda::lT]; if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { lTguess = lTAnalytic_(rho, e, ni, ne); + if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { + // Fallback initial guess + lTguess = 7; + } } auto © = *this; // stupid C++17 workaround auto status = ROOT_FINDER( From 078eabe257076036762724dd7785050199978a08 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Fri, 21 Jul 2023 09:40:46 -0600 Subject: [PATCH 33/65] Fixed formula --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 60a497b479..b2eba540d4 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -1331,7 +1331,7 @@ void Helmholtz::GetFromDensityLogTemperature_( if (do_unmodified_ions) { // ionized plasma. ions and electrons treated separately Real xni, dxnidd, dxnida; GetMassFractions(rho, T, ytot, xni, dxnidd, dxnida); - const Real y = ywot + ions_.LSWOT15 + 1.5 * lnT; + const Real y = ywot + ions_.LSWOT15 * lnT; ions_.GetFromDensityTemperature(rho, T, y, ytot, xni, dxnidd, dxnida, pion, eion, sion); } else { // modify ideal gas to include ions + electrons @@ -1340,7 +1340,7 @@ void Helmholtz::GetFromDensityLogTemperature_( const Real ytot_ion = robust::ratio(1.0, abar_ion); const Real ywot_ion = robust::ratio( std::log(abar_ion * abar_ion * std::sqrt(abar_ion)), rho * ions_.NA); - const Real y_ion = ywot_ion + ions_.LSWOT15 + 1.5 * lnT; + const Real y_ion = ywot_ion + ions_.LSWOT15 * lnT; Real xni, dxnidd, dxnida; GetMassFractions(rho, T, ytot_ion, xni, dxnidd, dxnida); ions_.GetFromDensityTemperature(rho, T, y_ion, ytot_ion, xni, dxnidd, dxnida, pion, From 2b4d2efcf6b5753d9ad7511043d72a970b03c7cf Mon Sep 17 00:00:00 2001 From: AlexHls Date: Fri, 21 Jul 2023 14:07:21 -0600 Subject: [PATCH 34/65] Fixed pressure value --- singularity-eos/eos/eos_helmholtz.hpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index b2eba540d4..0f1947d694 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -659,12 +659,13 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & } if (output & thermalqs::bulk_modulus) { Real gamma1 = ComputeGamma1_(rho, temp, p, e); + // Note this is the bulk modulus, not the sound speed. To compute // the sound speed, you must take this value and divide by the // enthalpy. In particular: // c_s = sqrt(bmod / (w)) = sqrt(bmod / (h rho)) // see page 108 of Rezzolla and Zanotti - bmod = std::max(robust::EPS(), press * gamma1); + bmod = std::max(robust::EPS(), p[0] * gamma1); } } From 9881ad9d0117ab939a5838389b20ca4a58da1b5f Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 24 Jul 2023 12:32:56 -0600 Subject: [PATCH 35/65] Linear-space rootfind --- singularity-eos/eos/eos_helmholtz.hpp | 31 ++++++++++++++++----------- 1 file changed, 18 insertions(+), 13 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 0f1947d694..54a182ecf3 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -584,8 +584,8 @@ class Helmholtz : public EosBase { lambda[Lambda::lT] = lT; Real ytot, ye, ywot, De, lDe; GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); - GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, - etaele, nep); + GetFromDensityLogTemperature_(rho, temperature, abar, zbar, ye, ytot, ywot, De, lDe, + p, e, s, etaele, nep); } PORTABLE_INLINE_FUNCTION @@ -597,13 +597,14 @@ class Helmholtz : public EosBase { Real ytot, ye, ywot, De, lDe; GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); Real lT = lTFromRhoSie_(rho, sie, abar, zbar, ye, ytot, ywot, De, lDe, lambda); - GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + Real T = math_utils::pow10(lT); + GetFromDensityLogTemperature_(rho, T, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep); } PORTABLE_INLINE_FUNCTION void GetFromDensityLogTemperature_( - const Real rho, const Real lT, const Real abar, const Real zbar, const Real ye, + const Real rho, const Real T, const Real abar, const Real zbar, const Real ye, const Real ytot, const Real ywot, const Real De, const Real lDe, Real p[NDERIV], Real e[NDERIV], Real s[NDERIV], Real etaele[NDERIV], Real nep[NDERIV], // TODO(JMM): Decide which of the quantities below to keep @@ -638,16 +639,14 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); if (need_temp) { lT = lTFromRhoSie_(rho, energy, abar, zbar, ye, ytot, ywot, De, lDe, lambda); + temp = math_utils::pow10(lT); } else { lT = std::log10(temp); lambda[Lambda::lT] = lT; } Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; - GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + GetFromDensityLogTemperature_(rho, temp, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep); - if (output & thermalqs::temperature) { - temp = math_utils::pow10(lT); - } if (output & thermalqs::specific_internal_energy) { energy = e[0]; } @@ -679,6 +678,7 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, const Real ni = abari * rho * ions_.NA; const Real ne = zbar * ni; Real lT; + Real T; if (options_.ENABLE_RAD || options_.GAS_DEGENERATE || options_.ENABLE_COULOMB_CORRECTIONS) { @@ -690,21 +690,26 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, lTguess = 7; } } + Real Tguess = math_utils::pow10(lTguess); auto © = *this; // stupid C++17 workaround auto status = ROOT_FINDER( - [&](Real lT) { + [&](Real T) { Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; - copy.GetFromDensityLogTemperature_(rho, lT, abar, zbar, ye, ytot, ywot, De, lDe, + copy.GetFromDensityLogTemperature_(rho, T, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep, true); return e[VAL]; }, - e, lTguess, electrons_.lTMin(), electrons_.lTMax(), ROOT_THRESH, ROOT_THRESH, lT); + e, Tguess, math_utils::pow10(electrons_.lTMin()), + math_utils::pow10(electrons_.lTMax()), ROOT_THRESH, ROOT_THRESH, T); if (status != RootFinding1D::Status::SUCCESS) { lT = lTAnalytic_(rho, e, ni, options_.GAS_IONIZED * ne); + T = math_utils::pow10(lT); } } else { lT = lTAnalytic_(rho, e, ni, options_.GAS_IONIZED * ne); + T = math_utils::pow10(lT); } + lT = std::log10(T); lambda[Lambda::lT] = lT; return lT; } @@ -1303,7 +1308,7 @@ void HelmCoulomb::GetFromDensityTemperature(const Real rho, const Real temp, PORTABLE_INLINE_FUNCTION void Helmholtz::GetFromDensityLogTemperature_( - const Real rho, const Real lT, const Real abar, const Real zbar, const Real ye, + const Real rho, const Real T, const Real abar, const Real zbar, const Real ye, const Real ytot, const Real ywot, const Real De, const Real lDe, Real p[NDERIV], Real e[NDERIV], Real s[NDERIV], Real etaele[NDERIV], Real nep[NDERIV], // TODO(JMM): Decide which of the quantities below to keep @@ -1315,10 +1320,10 @@ void Helmholtz::GetFromDensityLogTemperature_( for (int i = 0; i < 5; ++i) { etaele[i] = nep[i] = 0; } + Real lT = std::log10(T); const Real log10e = std::log10(M_E); const Real lnT = lT / log10e; - Real T = math_utils::pow10(lT); if (options_.ENABLE_RAD) { rad_.GetFromDensityTemperature(rho, T, prad, erad, srad); } From ccae8df37c4361d43b3a7325d79431d5645c3a26 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 24 Jul 2023 13:11:21 -0600 Subject: [PATCH 36/65] Rootfind output verbose --- .../base/root-finding-1d/root_finding.hpp | 24 ++++++++++++------- singularity-eos/eos/eos_helmholtz.hpp | 11 ++++++++- 2 files changed, 26 insertions(+), 9 deletions(-) diff --git a/singularity-eos/base/root-finding-1d/root_finding.hpp b/singularity-eos/base/root-finding-1d/root_finding.hpp index ea50a4cc7d..846c27d4bf 100644 --- a/singularity-eos/base/root-finding-1d/root_finding.hpp +++ b/singularity-eos/base/root-finding-1d/root_finding.hpp @@ -113,7 +113,8 @@ PORTABLE_INLINE_FUNCTION bool check_bracket(const Real ya, const Real yb) { template PORTABLE_INLINE_FUNCTION bool set_bracket(const T &f, Real &a, const Real guess, Real &b, - Real &ya, const Real yg, Real &yb) { + Real &ya, const Real yg, Real &yb, + const bool &verbose = true) { constexpr int max_search_depth = 6; Real dx = b - a; for (int level = 0; level < max_search_depth; level++) { @@ -138,8 +139,10 @@ PORTABLE_INLINE_FUNCTION bool set_bracket(const T &f, Real &a, const Real guess, } } // if we get here then we failed to bracket a root - printf("set_bracket failed to bound a root! %.14e %.14e %.14e %.14e %.14e %.14e\n", a, - guess, b, ya, yg, yb); + if (verbose) { + printf("set_bracket failed to bound a root! %.14e %.14e %.14e %.14e %.14e %.14e\n", a, + guess, b, ya, yg, yb); + } return false; } @@ -149,7 +152,8 @@ PORTABLE_INLINE_FUNCTION Status regula_falsi(const T &f, const Real ytarget, const Real guess, Real a, Real b, const Real xtol, const Real ytol, Real &xroot, - const RootCounts *counts = nullptr) { + const RootCounts *counts = nullptr, + const bool &verbose = true) { constexpr int max_iter = SECANT_NITER_MAX; auto func = [&](const Real x) { return f(x) - ytarget; }; Real ya = func(a); @@ -166,8 +170,10 @@ PORTABLE_INLINE_FUNCTION Status regula_falsi(const T &f, const Real ytarget, ya = yg; } else { // ya, yg, and yb have the same sign - if (!set_bracket(func, a, guess, b, ya, yg, yb)) { - printf("regula_falsi failed! %.14e %.14e %.14e %.14e\n", ytarget, guess, a, b); + if (!set_bracket(func, a, guess, b, ya, yg, yb, verbose)) { + if (verbose) { + printf("regula_falsi failed! %.14e %.14e %.14e %.14e\n", ytarget, guess, a, b); + } return Status::FAIL; } } @@ -212,8 +218,10 @@ PORTABLE_INLINE_FUNCTION Status regula_falsi(const T &f, const Real ytarget, } auto status = Status::SUCCESS; if (iteration_count == max_iter) { - printf( - "root finding reached the maximum number of iterations. likely not converged\n"); + if (verbose) { + printf("root finding reached the maximum number of iterations. likely not " + "converged\n"); + } status = Status::FAIL; } if (counts != nullptr) { diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 54a182ecf3..9d69dbe8b0 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -367,11 +367,16 @@ class Helmholtz : public EosBase { const bool electron) : ENABLE_RAD(rad), ENABLE_GAS(gas), ENABLE_COULOMB_CORRECTIONS(coul), GAS_IONIZED(ion), GAS_DEGENERATE(electron) {} + Options(const bool rad, const bool gas, const bool coul, const bool ion, + const bool electron, const bool verbose) + : ENABLE_RAD(rad), ENABLE_GAS(gas), ENABLE_COULOMB_CORRECTIONS(coul), + GAS_IONIZED(ion), GAS_DEGENERATE(electron), VERBOSE(verbose) {} bool ENABLE_RAD = true; bool ENABLE_GAS = true; bool ENABLE_COULOMB_CORRECTIONS = true; bool GAS_IONIZED = true; bool GAS_DEGENERATE = true; + bool VERBOSE = false; }; Helmholtz() = default; @@ -381,6 +386,9 @@ class Helmholtz : public EosBase { Helmholtz(const std::string &filename, const bool rad, const bool gas, const bool coul, const bool ion, const bool ele) : electrons_(filename), options_(rad, gas, coul, ion, ele) {} + Helmholtz(const std::string &filename, const bool rad, const bool gas, const bool coul, + const bool ion, const bool ele, const bool verbose) + : electrons_(filename), options_(rad, gas, coul, ion, ele, verbose) {} PORTABLE_INLINE_FUNCTION int nlambda() const noexcept { return 3; } static constexpr unsigned long PreferredInput() { @@ -700,7 +708,8 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, return e[VAL]; }, e, Tguess, math_utils::pow10(electrons_.lTMin()), - math_utils::pow10(electrons_.lTMax()), ROOT_THRESH, ROOT_THRESH, T); + math_utils::pow10(electrons_.lTMax()), ROOT_THRESH, ROOT_THRESH, T, nullptr, + options_.VERBOSE); if (status != RootFinding1D::Status::SUCCESS) { lT = lTAnalytic_(rho, e, ni, options_.GAS_IONIZED * ne); T = math_utils::pow10(lT); From 062085a62bc4f53896e75a1416775f0fe3db81f2 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 24 Jul 2023 13:19:40 -0600 Subject: [PATCH 37/65] Limit temp --- singularity-eos/eos/eos_helmholtz.hpp | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 9d69dbe8b0..6713717c68 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -719,6 +719,19 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, T = math_utils::pow10(lT); } lT = std::log10(T); + // Make sure the result is within the table bounds + if (lT < electrons_.lTMin()) { + if (options_.VERBOSE) { + printf("Temperature below table limit, setting lT = lTMin. (lT = %f)\n", lT); + } + lT = electrons_.lTMin(); + } + if (lT > electrons_.lTMax()) { + if (options_.VERBOSE) { + printf("Temperature above table limit, setting lT = lTMax. (lT = %f)\n", lT); + } + lT = electrons_.lTMax(); + } lambda[Lambda::lT] = lT; return lT; } From bbd77fd40a8a2db49d99037133a9824f21998b8e Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 31 Jul 2023 15:54:52 -0600 Subject: [PATCH 38/65] Fixed indexing --- singularity-eos/eos/eos_helmholtz.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 6713717c68..8615060d65 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -356,7 +356,7 @@ class Helmholtz : public EosBase { enum Index { Abar = 0, // Average atomic mass Zbar = 1, // Average atomic number - lT = 3 // log10 temperature. used for root finding. + lT = 2 // log10 temperature. used for root finding. }; }; // Options struct. You can create one of these and modify it to set From d8355f2d0ced29da318863671e9342aba136cc41 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 31 Jul 2023 16:11:00 -0600 Subject: [PATCH 39/65] Implemented c&g formulas --- singularity-eos/eos/eos_helmholtz.hpp | 44 ++++++++++++++++++++++++--- 1 file changed, 39 insertions(+), 5 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 8615060d65..5d7ccf05c1 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -129,6 +129,22 @@ * written in terms of fundamental quantities like atomic mass, which * made the translation cumbersom, so I just ported the reference * implementation. + * + * Note that e.g. the Gruneisenparameter is defined differently + * compared to other EOSs. Here the Gruneisenparameter is the + * Gamma3 of Cox & Giuli 1968 (Princiiples of Stellar Structure), + * c&g in the following. I.e. + * Gamma3 - 1 = (d ln T / d ln rho)|ad + * + * Some important formulas to be used when using this EOS: + * - the temperature and density exponents (c&g 9.81 9.82) + * - the specific heat at constant volume (c&g 9.92) + * - the third adiabatic exponent (c&g 9.93) + * - the first adiabatic exponent (c&g 9.97) + * - the second adiabatic exponent (c&g 9.105) + * - the specific heat at constant pressure (c&g 9.98) + * - and relativistic formula for the sound speed (c&g 14.29) + * */ namespace singularity { @@ -521,16 +537,23 @@ class Helmholtz : public EosBase { using namespace HelmUtils; Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; GetFromDensityTemperature_(rho, temperature, lambda, p, e, s, etaele, nep); - const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); - return robust::ratio(dPdE, rho); + Real gamma3 = ComputeGamma3_(rho, temperature, p, e); + return gamma3 + 1.0; } PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { using namespace HelmUtils; Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; - GetFromDensityInternalEnergy_(rho, sie, lambda, p, e, s, etaele, nep); - const Real dPdE = robust::ratio(p[DDR], e[DDR]) + robust::ratio(p[DDT], e[DDT]); - return robust::ratio(dPdE, rho); + Real abar = lambda[Lambda::Abar]; + Real zbar = lambda[Lambda::Zbar]; + Real ytot, ye, ywot, De, lDe; + GetElectronDensities_(rho, abar, zbar, ytot, ye, ywot, De, lDe); + Real lT = lTFromRhoSie_(rho, sie, abar, zbar, ye, ytot, ywot, De, lDe, lambda); + Real T = math_utils::pow10(lT); + GetFromDensityLogTemperature_(rho, T, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, + etaele, nep); + Real gamma3 = ComputeGamma3_(rho, T, p, e); + return gamma3 + 1.0; } PORTABLE_INLINE_FUNCTION @@ -560,12 +583,23 @@ class Helmholtz : public EosBase { Real ComputeGamma1_(const Real rho, const Real T, const Real p[NDERIV], const Real e[NDERIV]) const { using namespace HelmUtils; + // Gamma1 (c&g 9.97) const Real chit = robust::ratio(T, p[0]) * p[DDT]; const Real chid = robust::ratio(p[DDR] * rho, p[0]); const Real x = robust::ratio(p[0] * chit, rho * T * e[DDT]); return chit * x + chid; } + PORTABLE_INLINE_FUNCTION + Real ComputeGamma3_(const Real rho, const Real T, const Real p[NDERIV], + const Real e[NDERIV]) const { + using namespace HelmUtils; + // Gamma3 (c&g 9.93) + const Real chit = robust::ratio(T, p[0]) * p[DDT]; + const Real x = robust::ratio(p[0] * chit, rho * T * e[DDT]); + return x + 1.0; + } + PORTABLE_INLINE_FUNCTION void GetElectronDensities_(const Real rho, const Real abar, const Real zbar, Real &ytot, Real &ye, Real &ywot, Real &De, Real &lDe) const { From 2b06071a7b98410fea5f8feec5a5b7c9b3dce302 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Mon, 31 Jul 2023 17:00:04 -0600 Subject: [PATCH 40/65] Removed unnecessary +1 --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 5d7ccf05c1..05c4e54bbe 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -538,7 +538,7 @@ class Helmholtz : public EosBase { Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; GetFromDensityTemperature_(rho, temperature, lambda, p, e, s, etaele, nep); Real gamma3 = ComputeGamma3_(rho, temperature, p, e); - return gamma3 + 1.0; + return gamma3; } PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { @@ -553,7 +553,7 @@ class Helmholtz : public EosBase { GetFromDensityLogTemperature_(rho, T, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep); Real gamma3 = ComputeGamma3_(rho, T, p, e); - return gamma3 + 1.0; + return gamma3; } PORTABLE_INLINE_FUNCTION From 65aaa598d3e0917fe0f58a223bea6fdb8554728a Mon Sep 17 00:00:00 2001 From: AlexHls Date: Wed, 2 Aug 2023 08:35:43 -0600 Subject: [PATCH 41/65] gamma - 1 --- singularity-eos/eos/eos_helmholtz.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index 05c4e54bbe..ecc69a4e08 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -538,7 +538,7 @@ class Helmholtz : public EosBase { Real p[NDERIV], e[NDERIV], s[NDERIV], etaele[NDERIV], nep[NDERIV]; GetFromDensityTemperature_(rho, temperature, lambda, p, e, s, etaele, nep); Real gamma3 = ComputeGamma3_(rho, temperature, p, e); - return gamma3; + return gamma3 - 1.0; } PORTABLE_INLINE_FUNCTION Real GruneisenParamFromDensityInternalEnergy( const Real rho, const Real sie, Real *lambda = nullptr) const { @@ -553,7 +553,7 @@ class Helmholtz : public EosBase { GetFromDensityLogTemperature_(rho, T, abar, zbar, ye, ytot, ywot, De, lDe, p, e, s, etaele, nep); Real gamma3 = ComputeGamma3_(rho, T, p, e); - return gamma3; + return gamma3 - 1.0; } PORTABLE_INLINE_FUNCTION From f57a6fd68d1f983600ac6b044586a1574f71b7d3 Mon Sep 17 00:00:00 2001 From: AlexHls Date: Wed, 9 Aug 2023 15:36:09 -0600 Subject: [PATCH 42/65] WIP Helm test --- test/CMakeLists.txt | 19 +----- test/test_eos_helmholtz.cpp | 117 +++++++++++++++++++++++++++++++++++- 2 files changed, 115 insertions(+), 21 deletions(-) diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 9b69d7cf30..818c3c1032 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -22,6 +22,7 @@ set(TST_SRCS if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_HELMHOLTZ) list(APPEND TST_SRCS test_eos_helmholtz.cpp) + configure_file(${CMAKE_SOURCE_DIR}/test/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) endif() add_executable(eos_unit_tests ${TST_SRCS}) @@ -82,24 +83,6 @@ if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_STELLAR_COLLAPSE) target_link_libraries(profile_stellar_collapse singularity-eos::singularity-eos) endif() -# The HDF5 dependency isn't really supposed to be here -# Also should this be downloaded for all helm builds not just testing? -if (SINGULARITY_USE_HDF5 AND SINGULARITY_TEST_HELMHOLTZ) - set(HELMHOLTZ_DATA_URL https://cococubed.com/codes/eos/helmholtz.tbz) - message(STATUS "Attempting to download Helmholtz data file for tests. " - "File is located at ${HELMHOLTZ_DATA_URL}. " - "File will be saved to ${CMAKE_CURRENT_BINARY_DIR}/helmholtz. " - "If you do not want to download this file, you can set -DSINGULARITY_TEST_HELMHOLTZ=OFF." - ) - include(FetchContent) - FetchContent_Declare(helmdata - URL ${HELMHOLTZ_DATA_URL} - URL_HASH SHA256=fc55ca3b188598ed19f9dbf63bacf1033676a22d2065f420b67375a493b91eeb - SOURCE_DIR ${CMAKE_CURRENT_BINARY_DIR} - ) - FetchContent_MakeAvailable(helmdata) -endif() - if (SINGULARITY_BUILD_PYTHON AND SINGULARITY_TEST_PYTHON) find_package(Python COMPONENTS Interpreter Development REQUIRED) set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${CMAKE_BINARY_DIR}/python:$ENV{PYTHONPATH}) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index df822286e9..c352460eb5 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -32,10 +32,121 @@ #include using singularity::Helmholtz; -const std::string filename = "test/helmholtz/helm_table.dat"; -SCENARIO("Helmholtz equation of state", "[HelmholtzEOS]") { +const std::string filename = "../test/helmholtz/helm_table.dat"; +SCENARIO("Helmholtz equation of state tgiven", "[HelmholtzEOS]") { GIVEN("A helholtz EOS") { - Helmholtz eos(filename); + /* We only test the EOS without Coulomb corrections since those are + implemented in a different way in the reference implementation (cutoff + vs. butterworth filter)*/ + Helmholtz eos(filename, true, true, false, true, true); THEN("We loaded the file!") { REQUIRE(true); } + + /* Density and temperature range evenly sampling the parameter space */ + Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; + Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + + /* Reference values calculated with test implementation, using + abar = 4.0, zbar = 2.0 */ + Real ein_ref[16] = { + 942247520796.137939453125, + 101117704971247.1875, + 756586284440018092032.0, + 204533796186988033170649120768.0, + 22331233357586.9296875, + 100345465684484.421875, + 85141422479277632.0, + 20453379683965599047745536.0, + 9976645702610400.0, + 10007780352178464.0, + 15481955850958990.0, + 2045403973039441838080.0, + 1256563470889144064.0, + 1256594342723058944.0, + 1259724628933661184.0, + 2037841273725276672.0, + }; + Real press_ref[16] = { + 628164115.19633424282073974609375, + 64881120328.5929718017578125, + 252198502998578304.0, + 66317830432079092035616768.0, + 148867082685630.90625, + 668864622842899.125, + 314555378539921728.0, + 66317832510490259937558528.0, + 649943133468265414656.0, + 652017695913837068288.0, + 1006403106957914537984.0, + 66338640383060857803767808.0, + 486181392465836489259876352.0, + 486201972259441884654469120.0, + 488274539873823033716113408.0, + 852398557407648750030028800.0, + }; + + /* Compare test values. Difference should be less than 1e-12 */ + Real lambda[2] = {4.0, 2.0}; + int k = 0; + for (int i = 0; i < 4; ++i) { + for (int j = 0; j < 4; ++j){ + Real ein = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real press = eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); + REQUIRE(isClose(ein, ein_ref[k], 1e-12)); + REQUIRE(isClose(press, press_ref[k], 1e-12)); + k++; + } + } + } +} + +SCENARIO("Helmholtz equation of state egiven", "[HelmholtzEOS]") { + GIVEN("A helholtz EOS") { + /* We only test the EOS without Coulomb corrections since those are + implemented in a different way in the reference implementation (cutoff + vs. butterworth filter)*/ + Helmholtz eos(filename, true, true, false, true, true); + THEN("We loaded the file!") { REQUIRE(true); } + + /* Density and internal energy range sampling the parameter space. + Due to problems with the initial temperature guess, only a + particular range of values work with the built-in ideal + gas initial guess. */ + + Real rho_in[7] = {1e-3, 1e-3, 1e1, 1e1, 1e5, 1e5, 1e9}; + Real ein_in[7] = {1e33, 1e38, 1e25, 1e38, 1e22, 1e32, 1e22}; + + /* Reference values calculated with test implementation, using + abar = 4.0, zbar = 2.0 */ + Real temp_ref[7] = { + 83267912059.9008941650390625, + 1480649420949.600341796875, + 8377732410.2377471923828125, + 10000000000000.037109375, + 14834616134.222881317138671875, + 2633008614585.40283203125, + 148051392128.0281982421875, + }; + Real press_ref[7] = { + 333178534190936501846297018368.0, + 3.335059068385989208866699710405e+34, + 32102269803001238788243456.0, + 6.9353723467611821959666509095658e+37, + 328892155446139829490810880.0, + 3.3333323663968881590598358740553e+35, + 3334463461062235621149686890496.0, + }; + + /* Compare test values. Difference should be less than 1e-6 */ + Real lambda[2] = {4.0, 2.0}; + for (int i = 0; i < 7; ++i) { + Real temp = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); + Real press = eos.PressureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); + Real temp_diff = (temp - temp_ref[i]) / temp_ref[i]; + Real press_diff = (press - press_ref[i]) / press_ref[i]; + REQUIRE(temp_diff < 1e6); + REQUIRE(press_diff < 1e6); + // REQUIRE(isClose(temp, temp_ref[i], 1e-0)); + // REQUIRE(isClose(press, press_ref[i], 1e-0)); + } } } From ce11267bbfc06bd8400c13116fba14d9ab422a21 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Mon, 14 Aug 2023 13:48:05 +0200 Subject: [PATCH 43/65] Fixed formatting --- singularity-eos/eos/eos.hpp | 6 +- singularity-eos/eos/eos_helmholtz.hpp | 6 +- test/test_eos_helmholtz.cpp | 109 ++++++++++++-------------- 3 files changed, 54 insertions(+), 67 deletions(-) diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index 1ce6fc068d..00d9e02c7d 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -67,11 +67,11 @@ using singularity::detail::transform_variadic_list; // all eos's static constexpr const auto full_eos_list = - tl @@ -153,7 +153,7 @@ using namespace eos_base; // TODO(JMM): Maybe want to move these utility functions into something like an // ASCII-utils file. Worth considering at some later date. namespace HelmUtils { -using DataBox = Spiner::DataBox; +using DataBox = Spiner::DataBox<>; // Components of the arrays returned by internal routines: // Variable, derivs w.r.t density, temperature, abar, zbar @@ -1433,5 +1433,5 @@ void Helmholtz::GetFromDensityLogTemperature_( }; // namespace singularity #undef ROOT_FINDER -#endif // SPINER_USE_HDF +#endif // SINGULARITY_USE_SPINER_WITH_HDF5 #endif // _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index c352460eb5..8653dab96d 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -48,52 +48,45 @@ SCENARIO("Helmholtz equation of state tgiven", "[HelmholtzEOS]") { /* Reference values calculated with test implementation, using abar = 4.0, zbar = 2.0 */ Real ein_ref[16] = { - 942247520796.137939453125, - 101117704971247.1875, - 756586284440018092032.0, - 204533796186988033170649120768.0, - 22331233357586.9296875, - 100345465684484.421875, - 85141422479277632.0, - 20453379683965599047745536.0, - 9976645702610400.0, - 10007780352178464.0, - 15481955850958990.0, - 2045403973039441838080.0, - 1256563470889144064.0, - 1256594342723058944.0, - 1259724628933661184.0, - 2037841273725276672.0, + 942247520796.137939453125, 101117704971247.1875, + 756586284440018092032.0, 204533796186988033170649120768.0, + 22331233357586.9296875, 100345465684484.421875, + 85141422479277632.0, 20453379683965599047745536.0, + 9976645702610400.0, 10007780352178464.0, + 15481955850958990.0, 2045403973039441838080.0, + 1256563470889144064.0, 1256594342723058944.0, + 1259724628933661184.0, 2037841273725276672.0, }; Real press_ref[16] = { - 628164115.19633424282073974609375, - 64881120328.5929718017578125, - 252198502998578304.0, - 66317830432079092035616768.0, - 148867082685630.90625, - 668864622842899.125, - 314555378539921728.0, - 66317832510490259937558528.0, - 649943133468265414656.0, - 652017695913837068288.0, - 1006403106957914537984.0, - 66338640383060857803767808.0, - 486181392465836489259876352.0, - 486201972259441884654469120.0, - 488274539873823033716113408.0, - 852398557407648750030028800.0, + 628164115.19633424282073974609375, + 64881120328.5929718017578125, + 252198502998578304.0, + 66317830432079092035616768.0, + 148867082685630.90625, + 668864622842899.125, + 314555378539921728.0, + 66317832510490259937558528.0, + 649943133468265414656.0, + 652017695913837068288.0, + 1006403106957914537984.0, + 66338640383060857803767808.0, + 486181392465836489259876352.0, + 486201972259441884654469120.0, + 488274539873823033716113408.0, + 852398557407648750030028800.0, }; /* Compare test values. Difference should be less than 1e-12 */ Real lambda[2] = {4.0, 2.0}; int k = 0; for (int i = 0; i < 4; ++i) { - for (int j = 0; j < 4; ++j){ - Real ein = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); - Real press = eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); - REQUIRE(isClose(ein, ein_ref[k], 1e-12)); - REQUIRE(isClose(press, press_ref[k], 1e-12)); - k++; + for (int j = 0; j < 4; ++j) { + Real ein = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real press = eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); + REQUIRE(isClose(ein, ein_ref[k], 1e-12)); + REQUIRE(isClose(press, press_ref[k], 1e-12)); + k++; } } } @@ -111,42 +104,36 @@ SCENARIO("Helmholtz equation of state egiven", "[HelmholtzEOS]") { Due to problems with the initial temperature guess, only a particular range of values work with the built-in ideal gas initial guess. */ - + Real rho_in[7] = {1e-3, 1e-3, 1e1, 1e1, 1e5, 1e5, 1e9}; Real ein_in[7] = {1e33, 1e38, 1e25, 1e38, 1e22, 1e32, 1e22}; /* Reference values calculated with test implementation, using abar = 4.0, zbar = 2.0 */ Real temp_ref[7] = { - 83267912059.9008941650390625, - 1480649420949.600341796875, - 8377732410.2377471923828125, - 10000000000000.037109375, - 14834616134.222881317138671875, - 2633008614585.40283203125, - 148051392128.0281982421875, + 83267912059.9008941650390625, 1480649420949.600341796875, + 8377732410.2377471923828125, 10000000000000.037109375, + 14834616134.222881317138671875, 2633008614585.40283203125, + 148051392128.0281982421875, }; Real press_ref[7] = { - 333178534190936501846297018368.0, - 3.335059068385989208866699710405e+34, - 32102269803001238788243456.0, - 6.9353723467611821959666509095658e+37, - 328892155446139829490810880.0, - 3.3333323663968881590598358740553e+35, - 3334463461062235621149686890496.0, + 333178534190936501846297018368.0, 3.335059068385989208866699710405e+34, + 32102269803001238788243456.0, 6.9353723467611821959666509095658e+37, + 328892155446139829490810880.0, 3.3333323663968881590598358740553e+35, + 3334463461062235621149686890496.0, }; /* Compare test values. Difference should be less than 1e-6 */ Real lambda[2] = {4.0, 2.0}; for (int i = 0; i < 7; ++i) { - Real temp = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); - Real press = eos.PressureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); - Real temp_diff = (temp - temp_ref[i]) / temp_ref[i]; - Real press_diff = (press - press_ref[i]) / press_ref[i]; - REQUIRE(temp_diff < 1e6); - REQUIRE(press_diff < 1e6); - // REQUIRE(isClose(temp, temp_ref[i], 1e-0)); - // REQUIRE(isClose(press, press_ref[i], 1e-0)); + Real temp = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); + Real press = eos.PressureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); + Real temp_diff = (temp - temp_ref[i]) / temp_ref[i]; + Real press_diff = (press - press_ref[i]) / press_ref[i]; + REQUIRE(temp_diff < 1e6); + REQUIRE(press_diff < 1e6); + // REQUIRE(isClose(temp, temp_ref[i], 1e-0)); + // REQUIRE(isClose(press, press_ref[i], 1e-0)); } } } From 37fcff30fdc1b4772c652b4195f587dd6bb75b99 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Mon, 14 Aug 2023 13:57:51 +0200 Subject: [PATCH 44/65] Fixed formatting --- singularity-eos/eos/eos.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index 00d9e02c7d..6696d1565e 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -68,7 +68,7 @@ using singularity::detail::transform_variadic_list; // all eos's static constexpr const auto full_eos_list = tl Date: Mon, 14 Aug 2023 14:02:36 +0200 Subject: [PATCH 45/65] Added helmholtz table --- test/CMakeLists.txt | 6 +- test/helmholtz/helm_table.dat | 109484 +++++++++++++++++++++++++++++++ 2 files changed, 109487 insertions(+), 3 deletions(-) create mode 100644 test/helmholtz/helm_table.dat diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 3dc5404437..d35e9dc16a 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -24,9 +24,9 @@ add_executable( test_eos_helmholtz.cpp ) -if (SINGULARITY_TEST_HELMHOLTZ) - configure_file(${CMAKE_SOURCE_DIR}/test/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) - target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ) +if(SINGULARITY_TEST_HELMHOLTZ) + configure_file(${CMAKE_CURRENT_SOURCE_DIR}/test/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) + target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ) endif() if(SINGULARITY_TEST_SESAME) diff --git a/test/helmholtz/helm_table.dat b/test/helmholtz/helm_table.dat new file mode 100644 index 0000000000..63ae7ed04b --- /dev/null +++ b/test/helmholtz/helm_table.dat @@ -0,0 +1,109484 @@ + -1.6921073814093730E+12 8.3145112177444756E+22 -1.8168250759657073E+09 -8.3145112119486180E+34 -1.2471772071609028E+05 8.3145112090508411E+19 1.0000000000000000E+03 4.5708976297260813E+07 3.3945513438786022E+18 + 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9.1291954447116521E+27 -5.2345425697551358E+08 + 3.0431007526800731E+40 2.1966454387100394E+21 9.1291711828708563E+27 -6.5898514364665437E+08 + 3.0431135702505092E+40 2.7654023048579735E+21 9.1291327308003167E+27 -8.2960372914490831E+08 + 3.0431338846313438E+40 3.4814143680022305E+21 9.1290717892691325E+27 -1.0443904359044380E+09 + 3.0431660805058203E+40 4.3827993818522337E+21 9.1289752056958683E+27 -1.3147721902058265E+09 + 3.0432171069016215E+40 5.5175344468805403E+21 9.1288221366861428E+27 -1.6551253642655098E+09 + 3.0432979767153846E+40 6.9459985893389752E+21 9.1285795528156289E+27 -2.0835302337142899E+09 + 3.0434261427803435E+40 8.7441634774240681E+21 9.1281951188568984E+27 -2.6227116130597429E+09 + 3.0436292623775471E+40 1.1007589955278350E+22 9.1275859214131442E+27 -3.3012047680920796E+09 From 53fdae279c4f4b66d221f0e4fe21847a6efdd4b8 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Mon, 14 Aug 2023 14:12:16 +0200 Subject: [PATCH 46/65] Fixed cmake directory --- test/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index d35e9dc16a..1a79d0411f 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -25,7 +25,7 @@ add_executable( ) if(SINGULARITY_TEST_HELMHOLTZ) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/test/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) + configure_file(${CMAKE_CURRENT_SOURCE_DIR}/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ) endif() From c65b00a4448e2d1770d92990a7e9e1892e5697e3 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 11:36:33 +0200 Subject: [PATCH 47/65] Revised Helm test --- CMakeLists.txt | 2 +- test/test_eos_helmholtz.cpp | 149 ++++++++++++++++++++---------------- 2 files changed, 83 insertions(+), 68 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 72f35f82c6..0f08843ccc 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -83,7 +83,7 @@ cmake_dependent_option( "SINGULARITY_BUILD_TESTS;SINGUALRITY_BUILD_STELLARCOLLAPSE2SPINER" OFF) cmake_dependent_option(SINGULARITY_TEST_PYTHON "Test the Python bindings" ON "SINGULARITY_BUILD_TESTS;SINGULARITY_BUILD_PYTHON" OFF) -option (SINGULARITY_EOS_TEST_HELMHOLTZ "Test the helmholtz table reader" OFF) +option (SINGULARITY_TEST_HELMHOLTZ "Test the helmholtz table reader" OFF) # modify flags options option(SINGULARITY_BETTER_DEBUG_FLAGS "Better debug flags for singularity" ON) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 8653dab96d..1f04ed2862 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -31,10 +31,11 @@ #include #include +using Catch::Matchers::WithinRel; using singularity::Helmholtz; const std::string filename = "../test/helmholtz/helm_table.dat"; -SCENARIO("Helmholtz equation of state tgiven", "[HelmholtzEOS]") { - GIVEN("A helholtz EOS") { +SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[HelmholtzEOS]") { + GIVEN("A Helmholtz EOS") { /* We only test the EOS without Coulomb corrections since those are implemented in a different way in the reference implementation (cutoff vs. butterworth filter)*/ @@ -45,38 +46,50 @@ SCENARIO("Helmholtz equation of state tgiven", "[HelmholtzEOS]") { Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; - /* Reference values calculated with test implementation, using + /* Reference values calculated with reference implementation, using abar = 4.0, zbar = 2.0 */ Real ein_ref[16] = { - 942247520796.137939453125, 101117704971247.1875, - 756586284440018092032.0, 204533796186988033170649120768.0, - 22331233357586.9296875, 100345465684484.421875, - 85141422479277632.0, 20453379683965599047745536.0, - 9976645702610400.0, 10007780352178464.0, - 15481955850958990.0, 2045403973039441838080.0, - 1256563470889144064.0, 1256594342723058944.0, - 1259724628933661184.0, 2037841273725276672.0, + 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, + 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, + 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, + 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, + 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, + 2.0378412737252767e+18, }; Real press_ref[16] = { - 628164115.19633424282073974609375, - 64881120328.5929718017578125, - 252198502998578304.0, - 66317830432079092035616768.0, - 148867082685630.90625, - 668864622842899.125, - 314555378539921728.0, - 66317832510490259937558528.0, - 649943133468265414656.0, - 652017695913837068288.0, - 1006403106957914537984.0, - 66338640383060857803767808.0, - 486181392465836489259876352.0, - 486201972259441884654469120.0, - 488274539873823033716113408.0, - 852398557407648750030028800.0, + 6.2816411519633424e+08, 6.4881120328592972e+10, 2.5219850299857830e+17, + 6.6317830432079092e+25, 1.4886708268563091e+14, 6.6886462284289912e+14, + 3.1455537853992173e+17, 6.6317832510490260e+25, 6.4994313346826541e+20, + 6.5201769591383707e+20, 1.0064031069579145e+21, 6.6338640383060858e+25, + 4.8618139246583649e+26, 4.8620197225944188e+26, 4.8827453987382303e+26, + 8.5239855740764875e+26, + }; + Real cv_ref[16] = { + 9.3196340815867558e+07, 1.2382711876365747e+08, 3.0263168156431395e+13, + 8.2533852062378803e+19, 3.3503794880269445e+07, 9.0284767991987824e+07, + 3.1224051937032824e+09, 8.2533852374140800e+15, 3.1184609621499959e+07, + 3.1713660547591802e+07, 7.3637607321062773e+07, 8.2536953970987695e+11, + 3.1176951501280103e+07, 3.1187974351097498e+07, 3.2050127401531246e+07, + 1.3551496573399475e+08, + }; + Real bulkmod_ref[16] = { + 1.0469389563134364e+09, 1.0474497395736888e+11, 3.3626568149804531e+17, + 8.8885495148523153e+25, 2.4810139724448831e+14, 1.1146333619227326e+15, + 4.2981167651334662e+17, 8.8885498255318413e+25, 1.0640009518727505e+21, + 1.0674571600035824e+21, 1.6449806425795102e+21, 8.8916598362805109e+25, + 6.5290499527564281e+26, 6.5293929349629153e+26, 6.5637946470451621e+26, + 1.1836643294434592e+27, + }; + Real gruen_ref[16] = { + 6.6666468879298924e-01, 5.8505924930223907e-01, 3.3333433537355273e-01, + 3.2817038792737097e-01, 6.6665979201944436e-01, 6.6645401339924293e-01, + 3.4304497738846229e-01, 3.2817038920598574e-01, 6.6665974133874983e-01, + 6.6598496353702430e-01, 6.3848346162175873e-01, 3.2818317808916397e-01, + 6.6668862862725131e-01, 6.6657508247347175e-01, 6.5774854337088673e-01, + 4.1219845464736737e-01, }; - /* Compare test values. Difference should be less than 1e-12 */ + /* Compare test values. Difference should be less than 1e-10 */ Real lambda[2] = {4.0, 2.0}; int k = 0; for (int i = 0; i < 4; ++i) { @@ -84,56 +97,58 @@ SCENARIO("Helmholtz equation of state tgiven", "[HelmholtzEOS]") { Real ein = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); Real press = eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); - REQUIRE(isClose(ein, ein_ref[k], 1e-12)); - REQUIRE(isClose(press, press_ref[k], 1e-12)); + Real cv = eos.SpecificHeatFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real bulkmod = + eos.BulkModulusFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real gruen = + eos.GruneisenParamFromDensityTemperature(rho_in[i], temp_in[j], lambda); + REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); + REQUIRE_THAT(press, WithinRel(press_ref[k], 1e-10)); + /* These values are not very accurate, but the difference is + still less than 1e-6 in most cases. */ + REQUIRE_THAT(cv, WithinRel(cv_ref[k], 1e-6)); + REQUIRE_THAT(bulkmod, WithinRel(bulkmod_ref[k], 1e-8)); + REQUIRE_THAT(gruen, WithinRel(gruen_ref[k], 1e-6)); k++; } } } } -SCENARIO("Helmholtz equation of state egiven", "[HelmholtzEOS]") { - GIVEN("A helholtz EOS") { - /* We only test the EOS without Coulomb corrections since those are - implemented in a different way in the reference implementation (cutoff - vs. butterworth filter)*/ - Helmholtz eos(filename, true, true, false, true, true); - THEN("We loaded the file!") { REQUIRE(true); } - - /* Density and internal energy range sampling the parameter space. - Due to problems with the initial temperature guess, only a - particular range of values work with the built-in ideal - gas initial guess. */ +SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]") { + GIVEN("A helmholtz EOS") { + /* Since the reference implementation uses a different root finding algorithm + than the one used in the test implementation (Newton-Raphson vs. regula falsi), + we check for internal consistency of the root finding algorithm instead of + comparing the results to the reference implementation. */ - Real rho_in[7] = {1e-3, 1e-3, 1e1, 1e1, 1e5, 1e5, 1e9}; - Real ein_in[7] = {1e33, 1e38, 1e25, 1e38, 1e22, 1e32, 1e22}; + /* Here we also include Coulomb corrections. */ + Helmholtz eos(filename, true, true, true, true, true); + THEN("We loaded the file!") { REQUIRE(true); } - /* Reference values calculated with test implementation, using - abar = 4.0, zbar = 2.0 */ - Real temp_ref[7] = { - 83267912059.9008941650390625, 1480649420949.600341796875, - 8377732410.2377471923828125, 10000000000000.037109375, - 14834616134.222881317138671875, 2633008614585.40283203125, - 148051392128.0281982421875, - }; - Real press_ref[7] = { - 333178534190936501846297018368.0, 3.335059068385989208866699710405e+34, - 32102269803001238788243456.0, 6.9353723467611821959666509095658e+37, - 328892155446139829490810880.0, 3.3333323663968881590598358740553e+35, - 3334463461062235621149686890496.0, - }; + /* Density and temperature range evenly sampling the parameter space */ + Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; + Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; /* Compare test values. Difference should be less than 1e-6 */ Real lambda[2] = {4.0, 2.0}; - for (int i = 0; i < 7; ++i) { - Real temp = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); - Real press = eos.PressureFromDensityInternalEnergy(rho_in[i], ein_in[i], lambda); - Real temp_diff = (temp - temp_ref[i]) / temp_ref[i]; - Real press_diff = (press - press_ref[i]) / press_ref[i]; - REQUIRE(temp_diff < 1e6); - REQUIRE(press_diff < 1e6); - // REQUIRE(isClose(temp, temp_ref[i], 1e-0)); - // REQUIRE(isClose(press, press_ref[i], 1e-0)); + int k = 0; + for (int i = 0; i < 4; ++i) { + for (int j = 0; j < 4; ++j) { + /* We only need to check that the temperature returned by the root finding + algorithm is consistent with the input temperature. If this is correct, + other quantities will be correct if the table interpolation works + correctly. The check of the internal energy is only here as an + additional layer of consistency, but not strictly necessary. */ + Real ein = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real temp_new = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); + Real ein_new = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); + REQUIRE_THAT(temp_new, WithinRel(temp_in[j], 1e-10)); + REQUIRE_THAT(ein_new, WithinRel(ein, 1e-10)); + k++; + } } } } From 36dd698124cba6cad3c828250955d9ae6d422d56 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 13:15:33 +0200 Subject: [PATCH 48/65] Add compile flag --- test/test_eos_helmholtz.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 1f04ed2862..5e19be1041 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -12,6 +12,8 @@ // publicly and display publicly, and to permit others to do so. //------------------------------------------------------------------------------ +#ifdef SINGULARITY_TEST_HELMHOLTZ + #include #include #include @@ -152,3 +154,5 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" } } } + +#endif // SINGULARITY_TEST_HELMHOLTZ From 56e8835e1e5204a98b6b02dbb40f9daea4a98a5e Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 14:13:01 +0200 Subject: [PATCH 49/65] Added fallback tableinterp test --- test/test_eos_helmholtz.cpp | 16 ++++++++++++++-- 1 file changed, 14 insertions(+), 2 deletions(-) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 5e19be1041..f8f7b80ca3 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -124,14 +124,23 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" we check for internal consistency of the root finding algorithm instead of comparing the results to the reference implementation. */ - /* Here we also include Coulomb corrections. */ - Helmholtz eos(filename, true, true, true, true, true); + Helmholtz eos(filename, true, true, false, true, true); THEN("We loaded the file!") { REQUIRE(true); } /* Density and temperature range evenly sampling the parameter space */ Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + /* Reference values computed with the reference implementation */ + Real ein_ref[16] = { + 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, + 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, + 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, + 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, + 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, + 2.0378412737252767e+18, + }; + /* Compare test values. Difference should be less than 1e-6 */ Real lambda[2] = {4.0, 2.0}; int k = 0; @@ -144,6 +153,9 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" additional layer of consistency, but not strictly necessary. */ Real ein = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); + /* Independent check of the table interpolation in case the table interpolation + check does not fail already. */ + REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); Real temp_new = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); Real ein_new = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); From 7444c86335bfcefd3f46c35189f7fdcdb19d175c Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 14:47:01 +0200 Subject: [PATCH 50/65] Updated CHANGELOG.md --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 1580521083..3872b4796a 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -23,6 +23,7 @@ ### Added (new features/APIs/variables/...) - [[PR279]](https://github.com/lanl/singularity-eos/pull/279) added noble-abel EoS - [[PR274]](https://github.com/lanl/singularity-eos/pull/274) added a stiffened gas EoS +- [[PR264]](https://github.com/lanl/singularity-eos/pull/274) added a Helmholtz EoS - [[PR254]](https://github.com/lanl/singularity-eos/pull/254) added ability to peel off modifiers as needed - [[PR250]](https://github.com/lanl/singularity-eos/pull/250) added mass fraction output to stellar collapse eos - [[PR226]](https://github.com/lanl/singularity-eos/pull/226) added entropy interpolation to stellar collapse eos From 76c64a004ba2d82bb4747ab7d4ca1efc46d65216 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 15:16:35 +0200 Subject: [PATCH 51/65] Updated docs --- doc/sphinx/src/models.rst | 33 +++++++++++++++++++++++++++++++-- 1 file changed, 31 insertions(+), 2 deletions(-) diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index 52138e303d..3d67b3494a 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1288,6 +1288,8 @@ indicates log base 10. .. _median filter: https://en.wikipedia.org/wiki/Median_filter + + Helmholtz EOS `````````````` @@ -1298,13 +1300,13 @@ gas. It consists of a thermal radiation term: .. math:: - P = sigma T^4 + P = \sigma \cdot T^4 an ions term, treated as an ideal gas: .. math:: - P = (gamma - 1) rho e + P = (\gamma - 1) \cdot \rho \cdot e and a degenerate electron term. Additionally, coulomb force corrections can be applied on top of the full model. This @@ -1334,6 +1336,14 @@ consistency, the table is interpolated using either biquintic or bicubic Hermite polynomials, which are sufficiently high order that their high-order derivatives match the underlying data. +.. warning:: + + Only a modified version of the table is supported due to the fixed + number of colums in the table. This may change in the future. + The original table found on `Frank Timmes's website`_ is not supported. + A compatible version of the table can be found in the + ``test/helmholtz`` directory of the source code. + .. note:: The implication of interpolating from the free energy is that each @@ -1349,6 +1359,25 @@ relevant table: Helmholtz(const std::string &filename) +Note that e.g. the Gruneisenparameter is defined differently +compared to other EOSs. Here the Gruneisenparameter is the +:math:`\Gamma_3` of Cox & Giuli 1968 - Princiiples of Stellar Structure +(c&g in the following). Specifically: + +.. math:: + + \Gamma_3 - 1 = \left. \frac{\mathrm{d} \ln T}{ \mathrm{d} \ln \rho}\right|_\mathrm{ad} + +Some important formulas to be used when using this EOS: + - the temperature and density exponents (c&g 9.81 9.82) + - the specific heat at constant volume (c&g 9.92) + - the third adiabatic exponent (c&g 9.93) + - the first adiabatic exponent (c&g 9.97) + - the second adiabatic exponent (c&g 9.105) + - the specific heat at constant pressure (c&g 9.98) + - and relativistic formula for the sound speed (c&g 14.29) + + .. _Timmes and Swesty: https://doi.org/10.1086/313304 .. _Frank Timmes's website: https://cococubed.com/code_pages/eos.shtml From f812bba844b1821c50ea9eca7ce65bfaa3a0615f Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 16:55:49 +0200 Subject: [PATCH 52/65] Make Helmholtz EOS optional --- .github/workflows/tests.yml | 1 + CMakeLists.txt | 8 ++++++++ singularity-eos/eos/eos.hpp | 6 +++++- singularity-eos/eos/eos_helmholtz.hpp | 2 ++ test/CMakeLists.txt | 2 +- 5 files changed, 17 insertions(+), 2 deletions(-) diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 0cdff14b41..47090631f5 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -35,6 +35,7 @@ jobs: -DSINGULARITY_BUILD_EXAMPLES=ON \ -DSINGULARITY_BUILD_PYTHON=ON \ -DSINGULARITY_TEST_SESAME=OFF \ + -DSINGULARITY_USE_HELMHOLTZ=ON \ -DSINGULARITY_TEST_HELMHOLTZ=ON \ -DSINGULARITY_FORCE_SUBMODULE_MODE=ON \ .. diff --git a/CMakeLists.txt b/CMakeLists.txt index a30f0b6153..6992688847 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -69,6 +69,9 @@ cmake_dependent_option( cmake_dependent_option( SINGUALRITY_BUILD_STELLARCOLLAPSE2SPINER "Compile stellarcollapse2spiner" ON "SINGULARITY_USE_SPINER;SINGULARITY_USE_SPINER_WITH_HDF5" OFF) +cmake_dependent_option( + SINGULARITY_USE_HELMHOLTZ "Include Helmholtz equation of state" OFF + "SINGULARITY_USE_SPINER;SINGULARITY_USE_SPINER_WITH_HDF5" OFF) # testing options option(SINGULARITY_BUILD_TESTS "Compile tests" OFF) @@ -82,6 +85,8 @@ cmake_dependent_option( cmake_dependent_option(SINGULARITY_TEST_PYTHON "Test the Python bindings" ON "SINGULARITY_BUILD_TESTS;SINGULARITY_BUILD_PYTHON" OFF) option (SINGULARITY_TEST_HELMHOLTZ "Test the helmholtz table reader" OFF) +cmake_dependent_option(SINGULARITY_TEST_HELMHOLTZ "Test the Helmholtz equation of state" ON + "SINGULARITY_BUILD_TESTS;SINGULARITY_USE_HELMHOLTZ" OFF) # modify flags options option(SINGULARITY_BETTER_DEBUG_FLAGS "Better debug flags for singularity" ON) @@ -234,6 +239,9 @@ endif() if(SINGULARITY_BUILD_CLOSURE) target_compile_definitions(singularity-eos PRIVATE SINGULARITY_BUILD_CLOSURE) endif() +if(SINGULARITY_USE_HELMHOLTZ) + target_compile_definitions(singularity-eos PUBLIC SINGULARITY_USE_HELMHOLTZ) +endif() # ------------------------------------------------------------------------------# # Handle dependencies diff --git a/singularity-eos/eos/eos.hpp b/singularity-eos/eos/eos.hpp index 6696d1565e..21f1396636 100644 --- a/singularity-eos/eos/eos.hpp +++ b/singularity-eos/eos/eos.hpp @@ -70,8 +70,12 @@ static constexpr const auto full_eos_list = tl @@ -1433,5 +1434,6 @@ void Helmholtz::GetFromDensityLogTemperature_( }; // namespace singularity #undef ROOT_FINDER +#endif // SINGULARITY_USE_HELMHOLTZ #endif // SINGULARITY_USE_SPINER_WITH_HDF5 #endif // _SINGULARITY_EOS_EOS_HELMHOLTZ_HPP_ diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 1a79d0411f..24b84af1f8 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -26,7 +26,7 @@ add_executable( if(SINGULARITY_TEST_HELMHOLTZ) configure_file(${CMAKE_CURRENT_SOURCE_DIR}/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) - target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ) + target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ SINGULARITY_USE_HELMHOLTZ) endif() if(SINGULARITY_TEST_SESAME) From 905b2074a7e4bdc9dcb85d8cb10ff0e2d813867d Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 15 Aug 2023 17:32:42 +0200 Subject: [PATCH 53/65] Build instructions --- doc/sphinx/src/building.rst | 2 ++ 1 file changed, 2 insertions(+) diff --git a/doc/sphinx/src/building.rst b/doc/sphinx/src/building.rst index 7fdf3c565c..6f0fdeddaa 100644 --- a/doc/sphinx/src/building.rst +++ b/doc/sphinx/src/building.rst @@ -153,6 +153,8 @@ preconditions: ``SINGULARITY_TEST_SESAME`` ``SINGULARITY_BUILD_TESTS=ON`` ``SINGULARITY_BUILD_SESAME2SPINER=ON`` Test the Sesame table readers. ``SINGULARITY_TEST_STELLAR_COLLAPSE`` ``SINGULARITY_BUILD_TESTS=ON`` ``SINGULARITY_BUILD_STELLARCOLLAPSE2SPINER=ON`` Test the Stellar Collapse table readers. ``SINGULARITY_TEST_PYTHON`` ``SINGULARITY_BUILD_TESTS=ON`` ``SINGULARITY_BUILD_PYTHON=ON`` Test the Python bindings. + ``SINGULARITY_USE_HELMHOLTZ`` ``SINGULARITY_USE_SPINER=ON`` ``SINGULARITY_USE_SPINER_WITH_HDF5=ON`` Use Helmholtz equation of state. + ``SINGULARITY_TEST_HELMHOLTZ`` ``SINGULARITY_USE_HELMHOLTZ`` Build Helmholtz equation of state tests. ============================================== ================================================================================= =========================================== CMake presets From e10d5dd09212a36678145d6f7535ea6eecc96fc2 Mon Sep 17 00:00:00 2001 From: Alexander Holas <70367168+AlexHls@users.noreply.github.com> Date: Thu, 17 Aug 2023 09:36:46 +0200 Subject: [PATCH 54/65] Apply suggestions from code review Co-authored-by: Jonah Miller --- CMakeLists.txt | 1 - doc/sphinx/src/models.rst | 4 ++-- singularity-eos/base/root-finding-1d/root_finding.hpp | 4 ++-- 3 files changed, 4 insertions(+), 5 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 6992688847..604151df8b 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -84,7 +84,6 @@ cmake_dependent_option( "SINGULARITY_BUILD_TESTS;SINGUALRITY_BUILD_STELLARCOLLAPSE2SPINER" OFF) cmake_dependent_option(SINGULARITY_TEST_PYTHON "Test the Python bindings" ON "SINGULARITY_BUILD_TESTS;SINGULARITY_BUILD_PYTHON" OFF) -option (SINGULARITY_TEST_HELMHOLTZ "Test the helmholtz table reader" OFF) cmake_dependent_option(SINGULARITY_TEST_HELMHOLTZ "Test the Helmholtz equation of state" ON "SINGULARITY_BUILD_TESTS;SINGULARITY_USE_HELMHOLTZ" OFF) diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index 3d67b3494a..05f8838ee0 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1359,8 +1359,8 @@ relevant table: Helmholtz(const std::string &filename) -Note that e.g. the Gruneisenparameter is defined differently -compared to other EOSs. Here the Gruneisenparameter is the +Note that e.g. the Gruneisen parameter is defined differently +compared to other EOSs. Here the Gruneisen parameter is the :math:`\Gamma_3` of Cox & Giuli 1968 - Princiiples of Stellar Structure (c&g in the following). Specifically: diff --git a/singularity-eos/base/root-finding-1d/root_finding.hpp b/singularity-eos/base/root-finding-1d/root_finding.hpp index 846c27d4bf..2596af2775 100644 --- a/singularity-eos/base/root-finding-1d/root_finding.hpp +++ b/singularity-eos/base/root-finding-1d/root_finding.hpp @@ -114,7 +114,7 @@ PORTABLE_INLINE_FUNCTION bool check_bracket(const Real ya, const Real yb) { template PORTABLE_INLINE_FUNCTION bool set_bracket(const T &f, Real &a, const Real guess, Real &b, Real &ya, const Real yg, Real &yb, - const bool &verbose = true) { + const bool &verbose = false) { constexpr int max_search_depth = 6; Real dx = b - a; for (int level = 0; level < max_search_depth; level++) { @@ -153,7 +153,7 @@ PORTABLE_INLINE_FUNCTION Status regula_falsi(const T &f, const Real ytarget, const Real xtol, const Real ytol, Real &xroot, const RootCounts *counts = nullptr, - const bool &verbose = true) { + const bool &verbose = false) { constexpr int max_iter = SECANT_NITER_MAX; auto func = [&](const Real x) { return f(x) - ytarget; }; Real ya = func(a); From 9e8319a9545f48d37424255cd5d1fceb2fccd94e Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Thu, 17 Aug 2023 09:38:20 +0200 Subject: [PATCH 55/65] Fixed fallback guess --- singularity-eos/eos/eos_helmholtz.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index f1d862c617..cc6125c80d 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -730,7 +730,7 @@ Real Helmholtz::lTFromRhoSie_(const Real rho, const Real e, const Real abar, lTguess = lTAnalytic_(rho, e, ni, ne); if (!((electrons_.lTMin() <= lTguess) && (lTguess <= electrons_.lTMax()))) { // Fallback initial guess - lTguess = 7; + lTguess = 8; } } Real Tguess = math_utils::pow10(lTguess); From 32fe9d02edafe41e19e2b76193fd66855c88767c Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Thu, 17 Aug 2023 11:03:56 +0200 Subject: [PATCH 56/65] Moved table to data + install --- cmake/install.cmake | 11 +++++++++++ {test => data}/helmholtz/helm_table.dat | 0 doc/sphinx/src/models.rst | 2 +- test/CMakeLists.txt | 2 +- test/test_eos_helmholtz.cpp | 2 +- 5 files changed, 14 insertions(+), 3 deletions(-) rename {test => data}/helmholtz/helm_table.dat (100%) diff --git a/cmake/install.cmake b/cmake/install.cmake index a6aa96b2dc..a968d64c13 100644 --- a/cmake/install.cmake +++ b/cmake/install.cmake @@ -91,3 +91,14 @@ export( EXPORT singularity-eosTargets FILE ${CMAKE_CURRENT_BINARY_DIR}/singularity-eosTargets.cmake NAMESPACE singularity-eos::) + +# ----------------------------------------------------------------------------# +# Data files +# ----------------------------------------------------------------------------# + +# install data files needed for various eos models +if(SINGULARITY_USE_HELMHOLTZ) + # install data files + install(DIRECTORY ${PROJECT_SOURCE_DIR}/data/helmholtz + DESTINATION ${CMAKE_INSTALL_DATADIR}/singularity-eos) +endif() diff --git a/test/helmholtz/helm_table.dat b/data/helmholtz/helm_table.dat similarity index 100% rename from test/helmholtz/helm_table.dat rename to data/helmholtz/helm_table.dat diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index 05f8838ee0..6edf777966 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1342,7 +1342,7 @@ their high-order derivatives match the underlying data. number of colums in the table. This may change in the future. The original table found on `Frank Timmes's website`_ is not supported. A compatible version of the table can be found in the - ``test/helmholtz`` directory of the source code. + ``data/helmholtz`` directory of the source code. .. note:: diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 973c9dd9f4..db952eda52 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -25,7 +25,7 @@ add_executable( ) if(SINGULARITY_TEST_HELMHOLTZ) - configure_file(${CMAKE_CURRENT_SOURCE_DIR}/helmholtz/helm_table.dat ${CMAKE_CURRENT_BINARY_DIR}/helmholtz/helm_table.dat COPYONLY) + configure_file(${PROJECT_SOURCE_DIR}/data/helmholtz/helm_table.dat ${CMAKE_BINARY_DIR}/data/helmholtz/helm_table.dat COPYONLY) target_compile_definitions(eos_unit_tests PRIVATE SINGULARITY_TEST_HELMHOLTZ SINGULARITY_USE_HELMHOLTZ) endif() diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index f8f7b80ca3..5288742e20 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -35,7 +35,7 @@ using Catch::Matchers::WithinRel; using singularity::Helmholtz; -const std::string filename = "../test/helmholtz/helm_table.dat"; +const std::string filename = "../data/helmholtz/helm_table.dat"; SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[HelmholtzEOS]") { GIVEN("A Helmholtz EOS") { /* We only test the EOS without Coulomb corrections since those are From 9fbfbb6407c371f3a10da61f54e6c316822fadde Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Thu, 17 Aug 2023 13:49:27 +0200 Subject: [PATCH 57/65] Test on device --- test/test_eos_helmholtz.cpp | 60 +++++++++++++++++++++++++++---------- 1 file changed, 44 insertions(+), 16 deletions(-) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 5288742e20..0327692625 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -41,16 +41,41 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol /* We only test the EOS without Coulomb corrections since those are implemented in a different way in the reference implementation (cutoff vs. butterworth filter)*/ - Helmholtz eos(filename, true, true, false, true, true); + Helmholtz host_eos(filename, true, true, false, true, true); + Helmholtz eos = host_eos.GetOnDevice(); THEN("We loaded the file!") { REQUIRE(true); } /* Density and temperature range evenly sampling the parameter space */ - Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; - Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + constexpr int num = 4; +#ifdef PORTABILITY_STRATEGY_KOKKOS + // Create Kokkos views on device for the input arrays + Kokkos::View v_rho_in("rho_in"); + Kokkos::View v_temp_in("temp_in"); +#else + // Otherwise just create arrays to contain values and create pointers to + // be passed to the functions in place of the Kokkos views + std::array rho_in; + std::array temp_in; + auto v_rho_in = rho_in.data(); + auto v_temp_in = temp_in.data(); +#endif // PORTABILITY_STRATEGY_KOKKOS + + // Populate the input arrays + portableFor( + "Initialize input arrays", 0, 1, PORTABLE_LAMBDA(int i) { + v_rho_in[0] = 1e-3; + v_rho_in[1] = 1e1; + v_rho_in[2] = 1e5; + v_rho_in[3] = 1e9; + v_temp_in[0] = 1e4; + v_temp_in[1] = 1e6; + v_temp_in[2] = 1e8; + v_temp_in[3] = 1e10; + }); /* Reference values calculated with reference implementation, using abar = 4.0, zbar = 2.0 */ - Real ein_ref[16] = { + constexpr Real ein_ref[16] = { 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, @@ -58,7 +83,7 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, 2.0378412737252767e+18, }; - Real press_ref[16] = { + constexpr Real press_ref[16] = { 6.2816411519633424e+08, 6.4881120328592972e+10, 2.5219850299857830e+17, 6.6317830432079092e+25, 1.4886708268563091e+14, 6.6886462284289912e+14, 3.1455537853992173e+17, 6.6317832510490260e+25, 6.4994313346826541e+20, @@ -66,7 +91,7 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol 4.8618139246583649e+26, 4.8620197225944188e+26, 4.8827453987382303e+26, 8.5239855740764875e+26, }; - Real cv_ref[16] = { + constexpr Real cv_ref[16] = { 9.3196340815867558e+07, 1.2382711876365747e+08, 3.0263168156431395e+13, 8.2533852062378803e+19, 3.3503794880269445e+07, 9.0284767991987824e+07, 3.1224051937032824e+09, 8.2533852374140800e+15, 3.1184609621499959e+07, @@ -74,7 +99,7 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol 3.1176951501280103e+07, 3.1187974351097498e+07, 3.2050127401531246e+07, 1.3551496573399475e+08, }; - Real bulkmod_ref[16] = { + constexpr Real bulkmod_ref[16] = { 1.0469389563134364e+09, 1.0474497395736888e+11, 3.3626568149804531e+17, 8.8885495148523153e+25, 2.4810139724448831e+14, 1.1146333619227326e+15, 4.2981167651334662e+17, 8.8885498255318413e+25, 1.0640009518727505e+21, @@ -82,7 +107,7 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol 6.5290499527564281e+26, 6.5293929349629153e+26, 6.5637946470451621e+26, 1.1836643294434592e+27, }; - Real gruen_ref[16] = { + constexpr Real gruen_ref[16] = { 6.6666468879298924e-01, 5.8505924930223907e-01, 3.3333433537355273e-01, 3.2817038792737097e-01, 6.6665979201944436e-01, 6.6645401339924293e-01, 3.4304497738846229e-01, 3.2817038920598574e-01, 6.6665974133874983e-01, @@ -97,13 +122,15 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol for (int i = 0; i < 4; ++i) { for (int j = 0; j < 4; ++j) { Real ein = - eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); - Real press = eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); - Real cv = eos.SpecificHeatFromDensityTemperature(rho_in[i], temp_in[j], lambda); + eos.InternalEnergyFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); + Real press = + eos.PressureFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); + Real cv = + eos.SpecificHeatFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); Real bulkmod = - eos.BulkModulusFromDensityTemperature(rho_in[i], temp_in[j], lambda); + eos.BulkModulusFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); Real gruen = - eos.GruneisenParamFromDensityTemperature(rho_in[i], temp_in[j], lambda); + eos.GruneisenParamFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); REQUIRE_THAT(press, WithinRel(press_ref[k], 1e-10)); /* These values are not very accurate, but the difference is @@ -124,7 +151,8 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" we check for internal consistency of the root finding algorithm instead of comparing the results to the reference implementation. */ - Helmholtz eos(filename, true, true, false, true, true); + Helmholtz host_eos(filename, true, true, false, true, true); + Helmholtz eos = host_eos.GetOnDevice(); THEN("We loaded the file!") { REQUIRE(true); } /* Density and temperature range evenly sampling the parameter space */ @@ -132,7 +160,7 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; /* Reference values computed with the reference implementation */ - Real ein_ref[16] = { + constexpr Real ein_ref[16] = { 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, @@ -157,9 +185,9 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" check does not fail already. */ REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); Real temp_new = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); + REQUIRE_THAT(temp_new, WithinRel(temp_in[j], 1e-10)); Real ein_new = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); - REQUIRE_THAT(temp_new, WithinRel(temp_in[j], 1e-10)); REQUIRE_THAT(ein_new, WithinRel(ein, 1e-10)); k++; } From f5b68e48d171f722c0e843b6c15022cdde880736 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Thu, 17 Aug 2023 15:16:47 +0200 Subject: [PATCH 58/65] Added Fortran interface --- singularity-eos/eos/singularity_eos.cpp | 24 +++++++++++++++++++ singularity-eos/eos/singularity_eos.f90 | 31 +++++++++++++++++++++++++ singularity-eos/eos/singularity_eos.hpp | 12 ++++++++++ 3 files changed, 67 insertions(+) diff --git a/singularity-eos/eos/singularity_eos.cpp b/singularity-eos/eos/singularity_eos.cpp index 128e0e0e95..b5920b8f1d 100644 --- a/singularity-eos/eos/singularity_eos.cpp +++ b/singularity-eos/eos/singularity_eos.cpp @@ -208,6 +208,30 @@ int init_sg_NobleAbel(const int matindex, EOS *eos, const double gm1, const doub #ifdef SINGULARITY_USE_SPINER_WITH_HDF5 +#ifdef SINGULARITY_USE_HELMHOLTZ +int init_sg_Helmholtz(const int matindex, EOS *eos, const char *filename, const bool rad, + const bool gas, const bool coul, const bool ion, const bool ele, + const bool verbose, int const *const enabled, double *const vals) { + assert(matindex >= 0); + EOS eosi = SGAPPLYMODSIMPLE( + Helmholtz(std::string(filename), rad, gas, coul, ion, ele, verbose)); + if (enabled[3] == 1) { + singularity::pAlpha2BilinearRampParams(eosi, vals[2], vals[3], vals[4], vals[2], + vals[3], vals[4], vals[5]); + } + EOS eos_ = + SGAPPLYMOD(Helmholtz(std::string(filename), rad, gas, coul, ion, ele, verbose)); + eos[matindex] = eos_.GetOnDevice(); + return 0; +} +int init_sg_Helmholtz(const int matindex, EOS *eos, const char *filename, const bool rad, + const bool gas, const bool coul, const bool ion, const bool ele, + const bool verbose) { + return init_sg_Helmholtz(matindex, eos, filename, rad, gas, coul, ion, ele, verbose, + def_en, def_v); +} +#endif + int init_sg_SpinerDependsRhoT(const int matindex, EOS *eos, const char *filename, const int matid, int const *const enabled, double *const vals) { diff --git a/singularity-eos/eos/singularity_eos.f90 b/singularity-eos/eos/singularity_eos.f90 index 826fe8a61e..7f908f8880 100644 --- a/singularity-eos/eos/singularity_eos.f90 +++ b/singularity-eos/eos/singularity_eos.f90 @@ -40,6 +40,7 @@ module singularity_eos init_sg_NobleAbel_f,& init_sg_SAP_Polynomial_f,& init_sg_StiffGas_f,& + init_sg_Helmholtz_f,& init_sg_SpinerDependsRhoT_f,& init_sg_SpinerDependsRhoSie_f,& init_sg_eospac_f,& @@ -164,6 +165,21 @@ end function init_sg_StiffGas end function init_sg_SAP_Polynomial end interface + interface + integer(kind=c_int) function & + init_sg_Helmholtz(matindex, eos, filename, rad, gas, coul, ion, ele, & + verbose, sg_mods_enabled, sg_mods_values) & + bind(C, name='init_sg_Helmholtz') + import + integer(c_int), value, intent(in) :: matindex + type(c_ptr), value, intent(in) :: eos + character(kind=c_char), intent(in) :: filename(*) + logical(c_bool), value, intent(in) :: rad, gas, coul, ion, ele, & + verbose + type(c_ptr), value, intent(in) :: sg_mods_enabled, sg_mods_values + end function init_sg_Helmholtz + end interface + interface integer(kind=c_int) function & init_sg_SpinerDependsRhoT(matindex, eos, filename, id, sg_mods_enabled, & @@ -427,6 +443,21 @@ integer function init_sg_NobleAbel_f(matindex, eos, gm1, Cv, & err = init_sg_NobleAbel(matindex-1, eos%ptr, gm1, Cv, bb, qq, & c_loc(sg_mods_enabled), c_loc(sg_mods_values)) end function init_sg_NobleAbel_f + + integer function init_sg_Helmholtz_f(matindex, eos, filename, rad, gas, coul, ion, ele, & + verbose, sg_mods_enabled, sg_mods_values) & + result(err) + integer(c_int), value, intent(in) :: matindex + type(sg_eos_ary_t), intent(in) :: eos + character(len=*, kind=c_char), intent(in) :: filename + logical(c_bool), value, intent(in) :: rad, gas, coul, ion, ele, & + verbose + integer(kind=c_int), dimension(:), target, intent(inout) :: sg_mods_enabled + real(kind=8), dimension(:), target, intent(inout) :: sg_mods_values + err = init_sg_Helmholtz(matindex-1, eos%ptr, trim(filename)//C_NULL_CHAR, & + rad, gas, coul, ion, ele, verbose, & + c_loc(sg_mods_enabled), c_loc(sg_mods_values)) + end function init_sg_Helmholtz_f integer function init_sg_SpinerDependsRhoT_f(matindex, eos, filename, id, & sg_mods_enabled, & diff --git a/singularity-eos/eos/singularity_eos.hpp b/singularity-eos/eos/singularity_eos.hpp index 1007e02711..ee37a7934d 100644 --- a/singularity-eos/eos/singularity_eos.hpp +++ b/singularity-eos/eos/singularity_eos.hpp @@ -65,6 +65,12 @@ int init_sg_NobleAbel(const int matindex, EOS *eos, const double gm1, const doub #ifdef SINGULARITY_USE_SPINER_WITH_HDF5 +#ifdef SINGULARITY_USE_HELMHOLTZ +int init_sg_Helmholtz(const int matindex, EOS *eos, const char *filename, const bool rad, + const bool gas, const bool coul, const bool ion, const bool ele, + const bool verbose, int const *const enabled, double *const vals); +#endif + int init_sg_SpinerDependsRhoT(const int matindex, EOS *eos, const char *filename, const int id, int const *const enabled, double *const vals); @@ -133,6 +139,12 @@ int init_sg_NobleAbel(const int matindex, EOS *eos, const double gm1, const doub #ifdef SINGULARITY_USE_SPINER_WITH_HDF5 +#ifdef SINGULARITY_USE_HELMHOLTZ +int init_sg_Helmholtz(const int matindex, EOS *eos, const char *filename, const bool rad, + const bool gas, const bool coul, const bool ion, const bool ele, + const bool verbose); +#endif + int init_sg_SpinerDependsRhoT(const int matindex, EOS *eos, const char *filename, const int id); From b69386f93750e05b7ba89bcb4c48adcc5972bb2d Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Sat, 19 Aug 2023 16:52:43 -0600 Subject: [PATCH 59/65] make tests work on GPU. Clean up warnings. --- singularity-eos/eos/eos_helmholtz.hpp | 6 ++-- test/test_eos_helmholtz.cpp | 41 +++++++++++++++++++-------- 2 files changed, 32 insertions(+), 15 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index cc6125c80d..fc610d171d 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -673,8 +673,8 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & bool need_temp = (output & thermalqs::temperature); bool need_sie = (output & thermalqs::specific_internal_energy); bool need_rho = (output & thermalqs::density); - PORTABLE_REQUIRE(!need_rho, "Density output not supported by this EOS"); - PORTABLE_REQUIRE(!(need_temp && need_sie), + PORTABLE_ALWAYS_REQUIRE(!need_rho, "Density output not supported by this EOS"); + PORTABLE_ALWAYS_REQUIRE(!(need_temp && need_sie), "Either specific internal energy or temperature must be provided."); Real abar = lambda[Lambda::Abar]; Real zbar = lambda[Lambda::Zbar]; @@ -1399,7 +1399,7 @@ void Helmholtz::GetFromDensityLogTemperature_( sion); } else { // modify ideal gas to include ions + electrons const Real abar_ion = robust::ratio(abar, zbar + 1); - const Real zbar_ion = zbar; + // const Real zbar_ion = zbar; const Real ytot_ion = robust::ratio(1.0, abar_ion); const Real ywot_ion = robust::ratio( std::log(abar_ion * abar_ion * std::sqrt(abar_ion)), rho * ions_.NA); diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 0327692625..801617dc18 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -73,6 +73,10 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol v_temp_in[3] = 1e10; }); + + /* Compare test values. Difference should be less than 1e-10 */ + int nwrong = 1; // != 0 + portableReduce("Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { /* Reference values calculated with reference implementation, using abar = 4.0, zbar = 2.0 */ constexpr Real ein_ref[16] = { @@ -116,7 +120,6 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol 4.1219845464736737e-01, }; - /* Compare test values. Difference should be less than 1e-10 */ Real lambda[2] = {4.0, 2.0}; int k = 0; for (int i = 0; i < 4; ++i) { @@ -131,16 +134,18 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol eos.BulkModulusFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); Real gruen = eos.GruneisenParamFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); - REQUIRE_THAT(press, WithinRel(press_ref[k], 1e-10)); + if (!isClose(ein,ein_ref[k], 1e-10)) nwrong += 1; + if (!isClose(press, press_ref[k], 1e-10)) nwrong += 1; /* These values are not very accurate, but the difference is still less than 1e-6 in most cases. */ - REQUIRE_THAT(cv, WithinRel(cv_ref[k], 1e-6)); - REQUIRE_THAT(bulkmod, WithinRel(bulkmod_ref[k], 1e-8)); - REQUIRE_THAT(gruen, WithinRel(gruen_ref[k], 1e-6)); + if (!isClose(cv, cv_ref[k], 1e-6)) nwrong += 1; + if (!isClose(bulkmod, bulkmod_ref[k], 1e-8)) nwrong += 1; + if (!isClose(gruen, gruen_ref[k], 1e-6)) nwrong += 1; k++; } } + }, nwrong); + REQUIRE( nwrong == 0 ); } } @@ -155,9 +160,12 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" Helmholtz eos = host_eos.GetOnDevice(); THEN("We loaded the file!") { REQUIRE(true); } + /* Compare test values. Difference should be less than 1e-6 */ + int nwrong = 1; // != 0 + portableReduce("Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { /* Density and temperature range evenly sampling the parameter space */ - Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; - Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + constexpr Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; + constexpr Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; /* Reference values computed with the reference implementation */ constexpr Real ein_ref[16] = { @@ -169,7 +177,6 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" 2.0378412737252767e+18, }; - /* Compare test values. Difference should be less than 1e-6 */ Real lambda[2] = {4.0, 2.0}; int k = 0; for (int i = 0; i < 4; ++i) { @@ -183,15 +190,25 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); /* Independent check of the table interpolation in case the table interpolation check does not fail already. */ - REQUIRE_THAT(ein, WithinRel(ein_ref[k], 1e-10)); + if (!isClose(ein, ein_ref[k], 1e-10)) { + nwrong += 1; + } Real temp_new = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); - REQUIRE_THAT(temp_new, WithinRel(temp_in[j], 1e-10)); + // Lower precision on this one. GPU arithmetic slightly + // different than CPU + if (!isClose(temp_new, temp_in[j], 1e-8)) { + nwrong += 1; + } Real ein_new = eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); - REQUIRE_THAT(ein_new, WithinRel(ein, 1e-10)); + if (!isClose(ein_new, ein, 1e-10)) { + nwrong += 1; + } k++; } } + }, nwrong); + REQUIRE( nwrong == 0 ); } } From 0806486dfd086db8d1966498371c7f78c951e1a0 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Sat, 19 Aug 2023 17:14:42 -0600 Subject: [PATCH 60/65] format --- singularity-eos/eos/eos_helmholtz.hpp | 5 +- test/test_eos_helmholtz.cpp | 242 +++++++++++++------------- 2 files changed, 127 insertions(+), 120 deletions(-) diff --git a/singularity-eos/eos/eos_helmholtz.hpp b/singularity-eos/eos/eos_helmholtz.hpp index fc610d171d..8464bf1bf0 100644 --- a/singularity-eos/eos/eos_helmholtz.hpp +++ b/singularity-eos/eos/eos_helmholtz.hpp @@ -674,8 +674,9 @@ void Helmholtz::FillEos(Real &rho, Real &temp, Real &energy, Real &press, Real & bool need_sie = (output & thermalqs::specific_internal_energy); bool need_rho = (output & thermalqs::density); PORTABLE_ALWAYS_REQUIRE(!need_rho, "Density output not supported by this EOS"); - PORTABLE_ALWAYS_REQUIRE(!(need_temp && need_sie), - "Either specific internal energy or temperature must be provided."); + PORTABLE_ALWAYS_REQUIRE( + !(need_temp && need_sie), + "Either specific internal energy or temperature must be provided."); Real abar = lambda[Lambda::Abar]; Real zbar = lambda[Lambda::Zbar]; Real ytot, ye, ywot, De, lDe, lT; diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 801617dc18..282a9ef228 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -73,79 +73,81 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol v_temp_in[3] = 1e10; }); - /* Compare test values. Difference should be less than 1e-10 */ int nwrong = 1; // != 0 - portableReduce("Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { - /* Reference values calculated with reference implementation, using - abar = 4.0, zbar = 2.0 */ - constexpr Real ein_ref[16] = { - 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, - 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, - 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, - 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, - 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, - 2.0378412737252767e+18, - }; - constexpr Real press_ref[16] = { - 6.2816411519633424e+08, 6.4881120328592972e+10, 2.5219850299857830e+17, - 6.6317830432079092e+25, 1.4886708268563091e+14, 6.6886462284289912e+14, - 3.1455537853992173e+17, 6.6317832510490260e+25, 6.4994313346826541e+20, - 6.5201769591383707e+20, 1.0064031069579145e+21, 6.6338640383060858e+25, - 4.8618139246583649e+26, 4.8620197225944188e+26, 4.8827453987382303e+26, - 8.5239855740764875e+26, - }; - constexpr Real cv_ref[16] = { - 9.3196340815867558e+07, 1.2382711876365747e+08, 3.0263168156431395e+13, - 8.2533852062378803e+19, 3.3503794880269445e+07, 9.0284767991987824e+07, - 3.1224051937032824e+09, 8.2533852374140800e+15, 3.1184609621499959e+07, - 3.1713660547591802e+07, 7.3637607321062773e+07, 8.2536953970987695e+11, - 3.1176951501280103e+07, 3.1187974351097498e+07, 3.2050127401531246e+07, - 1.3551496573399475e+08, - }; - constexpr Real bulkmod_ref[16] = { - 1.0469389563134364e+09, 1.0474497395736888e+11, 3.3626568149804531e+17, - 8.8885495148523153e+25, 2.4810139724448831e+14, 1.1146333619227326e+15, - 4.2981167651334662e+17, 8.8885498255318413e+25, 1.0640009518727505e+21, - 1.0674571600035824e+21, 1.6449806425795102e+21, 8.8916598362805109e+25, - 6.5290499527564281e+26, 6.5293929349629153e+26, 6.5637946470451621e+26, - 1.1836643294434592e+27, - }; - constexpr Real gruen_ref[16] = { - 6.6666468879298924e-01, 5.8505924930223907e-01, 3.3333433537355273e-01, - 3.2817038792737097e-01, 6.6665979201944436e-01, 6.6645401339924293e-01, - 3.4304497738846229e-01, 3.2817038920598574e-01, 6.6665974133874983e-01, - 6.6598496353702430e-01, 6.3848346162175873e-01, 3.2818317808916397e-01, - 6.6668862862725131e-01, 6.6657508247347175e-01, 6.5774854337088673e-01, - 4.1219845464736737e-01, - }; - - Real lambda[2] = {4.0, 2.0}; - int k = 0; - for (int i = 0; i < 4; ++i) { - for (int j = 0; j < 4; ++j) { - Real ein = - eos.InternalEnergyFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - Real press = - eos.PressureFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - Real cv = - eos.SpecificHeatFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - Real bulkmod = - eos.BulkModulusFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - Real gruen = - eos.GruneisenParamFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - if (!isClose(ein,ein_ref[k], 1e-10)) nwrong += 1; - if (!isClose(press, press_ref[k], 1e-10)) nwrong += 1; - /* These values are not very accurate, but the difference is - still less than 1e-6 in most cases. */ - if (!isClose(cv, cv_ref[k], 1e-6)) nwrong += 1; - if (!isClose(bulkmod, bulkmod_ref[k], 1e-8)) nwrong += 1; - if (!isClose(gruen, gruen_ref[k], 1e-6)) nwrong += 1; - k++; - } - } - }, nwrong); - REQUIRE( nwrong == 0 ); + portableReduce( + "Test on device", 0, 1, + PORTABLE_LAMBDA(int dummy, int &nwrong) { + /* Reference values calculated with reference implementation, using + abar = 4.0, zbar = 2.0 */ + constexpr Real ein_ref[16] = { + 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, + 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, + 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, + 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, + 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, + 2.0378412737252767e+18, + }; + constexpr Real press_ref[16] = { + 6.2816411519633424e+08, 6.4881120328592972e+10, 2.5219850299857830e+17, + 6.6317830432079092e+25, 1.4886708268563091e+14, 6.6886462284289912e+14, + 3.1455537853992173e+17, 6.6317832510490260e+25, 6.4994313346826541e+20, + 6.5201769591383707e+20, 1.0064031069579145e+21, 6.6338640383060858e+25, + 4.8618139246583649e+26, 4.8620197225944188e+26, 4.8827453987382303e+26, + 8.5239855740764875e+26, + }; + constexpr Real cv_ref[16] = { + 9.3196340815867558e+07, 1.2382711876365747e+08, 3.0263168156431395e+13, + 8.2533852062378803e+19, 3.3503794880269445e+07, 9.0284767991987824e+07, + 3.1224051937032824e+09, 8.2533852374140800e+15, 3.1184609621499959e+07, + 3.1713660547591802e+07, 7.3637607321062773e+07, 8.2536953970987695e+11, + 3.1176951501280103e+07, 3.1187974351097498e+07, 3.2050127401531246e+07, + 1.3551496573399475e+08, + }; + constexpr Real bulkmod_ref[16] = { + 1.0469389563134364e+09, 1.0474497395736888e+11, 3.3626568149804531e+17, + 8.8885495148523153e+25, 2.4810139724448831e+14, 1.1146333619227326e+15, + 4.2981167651334662e+17, 8.8885498255318413e+25, 1.0640009518727505e+21, + 1.0674571600035824e+21, 1.6449806425795102e+21, 8.8916598362805109e+25, + 6.5290499527564281e+26, 6.5293929349629153e+26, 6.5637946470451621e+26, + 1.1836643294434592e+27, + }; + constexpr Real gruen_ref[16] = { + 6.6666468879298924e-01, 5.8505924930223907e-01, 3.3333433537355273e-01, + 3.2817038792737097e-01, 6.6665979201944436e-01, 6.6645401339924293e-01, + 3.4304497738846229e-01, 3.2817038920598574e-01, 6.6665974133874983e-01, + 6.6598496353702430e-01, 6.3848346162175873e-01, 3.2818317808916397e-01, + 6.6668862862725131e-01, 6.6657508247347175e-01, 6.5774854337088673e-01, + 4.1219845464736737e-01, + }; + + Real lambda[2] = {4.0, 2.0}; + int k = 0; + for (int i = 0; i < 4; ++i) { + for (int j = 0; j < 4; ++j) { + Real ein = eos.InternalEnergyFromDensityTemperature(v_rho_in[i], + v_temp_in[j], lambda); + Real press = + eos.PressureFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); + Real cv = eos.SpecificHeatFromDensityTemperature(v_rho_in[i], v_temp_in[j], + lambda); + Real bulkmod = eos.BulkModulusFromDensityTemperature(v_rho_in[i], + v_temp_in[j], lambda); + Real gruen = eos.GruneisenParamFromDensityTemperature(v_rho_in[i], + v_temp_in[j], lambda); + if (!isClose(ein, ein_ref[k], 1e-10)) nwrong += 1; + if (!isClose(press, press_ref[k], 1e-10)) nwrong += 1; + /* These values are not very accurate, but the difference is + still less than 1e-6 in most cases. */ + if (!isClose(cv, cv_ref[k], 1e-6)) nwrong += 1; + if (!isClose(bulkmod, bulkmod_ref[k], 1e-8)) nwrong += 1; + if (!isClose(gruen, gruen_ref[k], 1e-6)) nwrong += 1; + k++; + } + } + }, + nwrong); + REQUIRE(nwrong == 0); } } @@ -162,53 +164,57 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" /* Compare test values. Difference should be less than 1e-6 */ int nwrong = 1; // != 0 - portableReduce("Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { - /* Density and temperature range evenly sampling the parameter space */ - constexpr Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; - constexpr Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; - - /* Reference values computed with the reference implementation */ - constexpr Real ein_ref[16] = { - 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, - 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, - 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, - 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, - 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, - 2.0378412737252767e+18, - }; - - Real lambda[2] = {4.0, 2.0}; - int k = 0; - for (int i = 0; i < 4; ++i) { - for (int j = 0; j < 4; ++j) { - /* We only need to check that the temperature returned by the root finding - algorithm is consistent with the input temperature. If this is correct, - other quantities will be correct if the table interpolation works - correctly. The check of the internal energy is only here as an - additional layer of consistency, but not strictly necessary. */ - Real ein = - eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); - /* Independent check of the table interpolation in case the table interpolation - check does not fail already. */ - if (!isClose(ein, ein_ref[k], 1e-10)) { - nwrong += 1; - } - Real temp_new = eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); - // Lower precision on this one. GPU arithmetic slightly - // different than CPU - if (!isClose(temp_new, temp_in[j], 1e-8)) { - nwrong += 1; - } - Real ein_new = - eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); - if (!isClose(ein_new, ein, 1e-10)) { - nwrong += 1; - } - k++; - } - } - }, nwrong); - REQUIRE( nwrong == 0 ); + portableReduce( + "Test on device", 0, 1, + PORTABLE_LAMBDA(int dummy, int &nwrong) { + /* Density and temperature range evenly sampling the parameter space */ + constexpr Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; + constexpr Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + + /* Reference values computed with the reference implementation */ + constexpr Real ein_ref[16] = { + 9.4224752079613794e+11, 1.0111770497124719e+14, 7.5658628444001809e+20, + 2.0453379618698803e+29, 2.2331233357586930e+13, 1.0034546568448442e+14, + 8.5141422479277632e+16, 2.0453379683965599e+25, 9.9766457026104000e+15, + 1.0007780352178464e+16, 1.5481955850958990e+16, 2.0454039730394418e+21, + 1.2565634708891441e+18, 1.2565943427230589e+18, 1.2597246289336612e+18, + 2.0378412737252767e+18, + }; + + Real lambda[2] = {4.0, 2.0}; + int k = 0; + for (int i = 0; i < 4; ++i) { + for (int j = 0; j < 4; ++j) { + /* We only need to check that the temperature returned by the root finding + algorithm is consistent with the input temperature. If this is correct, + other quantities will be correct if the table interpolation works + correctly. The check of the internal energy is only here as an + additional layer of consistency, but not strictly necessary. */ + Real ein = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); + /* Independent check of the table interpolation in case the table + interpolation check does not fail already. */ + if (!isClose(ein, ein_ref[k], 1e-10)) { + nwrong += 1; + } + Real temp_new = + eos.TemperatureFromDensityInternalEnergy(rho_in[i], ein, lambda); + // Lower precision on this one. GPU arithmetic slightly + // different than CPU + if (!isClose(temp_new, temp_in[j], 1e-8)) { + nwrong += 1; + } + Real ein_new = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_new, lambda); + if (!isClose(ein_new, ein, 1e-10)) { + nwrong += 1; + } + k++; + } + } + }, + nwrong); + REQUIRE(nwrong == 0); } } From 0574349e4f255ea150ab6fc1a35f787ffd09f7ca Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Sun, 20 Aug 2023 11:23:13 +0200 Subject: [PATCH 61/65] Data dir docs --- doc/sphinx/src/building.rst | 12 ++++++++++++ doc/sphinx/src/models.rst | 3 ++- 2 files changed, 14 insertions(+), 1 deletion(-) diff --git a/doc/sphinx/src/building.rst b/doc/sphinx/src/building.rst index 6f0fdeddaa..c320fed464 100644 --- a/doc/sphinx/src/building.rst +++ b/doc/sphinx/src/building.rst @@ -157,6 +157,18 @@ preconditions: ``SINGULARITY_TEST_HELMHOLTZ`` ``SINGULARITY_USE_HELMHOLTZ`` Build Helmholtz equation of state tests. ============================================== ================================================================================= =========================================== +When installing ``singularity-eos``, data files are also installed. The +follwing options control where the data files are installed: + +====================================== ======= =========================================== + Option Default Comment +====================================== ======= =========================================== +``CMAKE_INSTALL_DATADIR`` Install directory for data files. +``CMAKE_INSTALL_DATAROOTDIR`` share Fallback data install directory. +====================================== ======= =========================================== + +The paths specified by these options are relative to the install prefix. + CMake presets ------------- diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index 6edf777966..c19941b76a 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1342,7 +1342,8 @@ their high-order derivatives match the underlying data. number of colums in the table. This may change in the future. The original table found on `Frank Timmes's website`_ is not supported. A compatible version of the table can be found in the - ``data/helmholtz`` directory of the source code. + ``data/helmholtz`` directory of the source code, or the data + directory specified in the installation configuration. .. note:: From d36eb7aa2d925f2b1802308212ec23a43588d366 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Sun, 20 Aug 2023 14:36:55 +0200 Subject: [PATCH 62/65] Fixed host test --- test/test_eos_helmholtz.cpp | 62 ++++++++++++++----------------------- 1 file changed, 24 insertions(+), 38 deletions(-) diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp index 282a9ef228..32d27fe073 100644 --- a/test/test_eos_helmholtz.cpp +++ b/test/test_eos_helmholtz.cpp @@ -45,39 +45,19 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol Helmholtz eos = host_eos.GetOnDevice(); THEN("We loaded the file!") { REQUIRE(true); } - /* Density and temperature range evenly sampling the parameter space */ - constexpr int num = 4; + /* Compare test values. Difference should be less than 1e-10 */ #ifdef PORTABILITY_STRATEGY_KOKKOS - // Create Kokkos views on device for the input arrays - Kokkos::View v_rho_in("rho_in"); - Kokkos::View v_temp_in("temp_in"); + int nwrong = 1; // != 0 #else - // Otherwise just create arrays to contain values and create pointers to - // be passed to the functions in place of the Kokkos views - std::array rho_in; - std::array temp_in; - auto v_rho_in = rho_in.data(); - auto v_temp_in = temp_in.data(); + int nwrong = 0; #endif // PORTABILITY_STRATEGY_KOKKOS - - // Populate the input arrays - portableFor( - "Initialize input arrays", 0, 1, PORTABLE_LAMBDA(int i) { - v_rho_in[0] = 1e-3; - v_rho_in[1] = 1e1; - v_rho_in[2] = 1e5; - v_rho_in[3] = 1e9; - v_temp_in[0] = 1e4; - v_temp_in[1] = 1e6; - v_temp_in[2] = 1e8; - v_temp_in[3] = 1e10; - }); - - /* Compare test values. Difference should be less than 1e-10 */ - int nwrong = 1; // != 0 portableReduce( "Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { + /* Density and temperature range evenly sampling the parameter space */ + constexpr Real rho_in[4] = {1e-3, 1e1, 1e5, 1e9}; + constexpr Real temp_in[4] = {1e4, 1e6, 1e8, 1e10}; + /* Reference values calculated with reference implementation, using abar = 4.0, zbar = 2.0 */ constexpr Real ein_ref[16] = { @@ -125,20 +105,22 @@ SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[Helmhol int k = 0; for (int i = 0; i < 4; ++i) { for (int j = 0; j < 4; ++j) { - Real ein = eos.InternalEnergyFromDensityTemperature(v_rho_in[i], - v_temp_in[j], lambda); + Real ein = + eos.InternalEnergyFromDensityTemperature(rho_in[i], temp_in[j], lambda); Real press = - eos.PressureFromDensityTemperature(v_rho_in[i], v_temp_in[j], lambda); - Real cv = eos.SpecificHeatFromDensityTemperature(v_rho_in[i], v_temp_in[j], - lambda); - Real bulkmod = eos.BulkModulusFromDensityTemperature(v_rho_in[i], - v_temp_in[j], lambda); - Real gruen = eos.GruneisenParamFromDensityTemperature(v_rho_in[i], - v_temp_in[j], lambda); + eos.PressureFromDensityTemperature(rho_in[i], temp_in[j], lambda); + // Do not move these checks! I don't know why but if you check all at + // once at the end, rho_in[0] is not accessed correctly. if (!isClose(ein, ein_ref[k], 1e-10)) nwrong += 1; if (!isClose(press, press_ref[k], 1e-10)) nwrong += 1; - /* These values are not very accurate, but the difference is - still less than 1e-6 in most cases. */ + + Real cv = + eos.SpecificHeatFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real bulkmod = + eos.BulkModulusFromDensityTemperature(rho_in[i], temp_in[j], lambda); + Real gruen = + eos.GruneisenParamFromDensityTemperature(rho_in[i], temp_in[j], lambda); + if (!isClose(cv, cv_ref[k], 1e-6)) nwrong += 1; if (!isClose(bulkmod, bulkmod_ref[k], 1e-8)) nwrong += 1; if (!isClose(gruen, gruen_ref[k], 1e-6)) nwrong += 1; @@ -163,7 +145,11 @@ SCENARIO("Helmholtz equation of state - Root finding (egiven)", "[HelmholtzEOS]" THEN("We loaded the file!") { REQUIRE(true); } /* Compare test values. Difference should be less than 1e-6 */ +#ifdef PORTABILITY_STRATEGY_KOKKOS int nwrong = 1; // != 0 +#else + int nwrong = 0; +#endif portableReduce( "Test on device", 0, 1, PORTABLE_LAMBDA(int dummy, int &nwrong) { From a4b9a661aa14b3b029ff8a42a00a47d23e00ab93 Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Tue, 22 Aug 2023 09:43:03 +0200 Subject: [PATCH 63/65] Added function signature --- doc/sphinx/src/models.rst | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/doc/sphinx/src/models.rst b/doc/sphinx/src/models.rst index c19941b76a..e385f81f4d 100644 --- a/doc/sphinx/src/models.rst +++ b/doc/sphinx/src/models.rst @@ -1383,6 +1383,22 @@ Some important formulas to be used when using this EOS: .. _Frank Timmes's website: https://cococubed.com/code_pages/eos.shtml +The constructor for the ``Helmholtz`` EOS class looks like + +.. code-block:: cpp + + Helmholtz(const std::string &filename, const bool rad = true, + const bool gas = true, const bool coul = true, + const bool ion = true, const bool ele = true, + const bool verbose = false) + +where ``filename`` is the file containing the tabulated model. The +optional arguments ``rad``, ``gas``, ``coul``, ``ion``, and ``ele`` +specify whether to include the radiation, ideal gas, coulomb correction, +ionization, and electron contributions, respectively. The default is to +include all terms. The optional argument ``verbose`` specifies whether to print +out additional information, e.g. when the root find fails to converge. + EOSPAC EOS ```````````` From ef8c81848f61226170cba9f2eebd20aba3ccd7fe Mon Sep 17 00:00:00 2001 From: Alexander Holas Date: Thu, 24 Aug 2023 09:09:45 +0200 Subject: [PATCH 64/65] Fix data path --- cmake/install.cmake | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cmake/install.cmake b/cmake/install.cmake index a968d64c13..ac424f4556 100644 --- a/cmake/install.cmake +++ b/cmake/install.cmake @@ -100,5 +100,5 @@ export( if(SINGULARITY_USE_HELMHOLTZ) # install data files install(DIRECTORY ${PROJECT_SOURCE_DIR}/data/helmholtz - DESTINATION ${CMAKE_INSTALL_DATADIR}/singularity-eos) + DESTINATION ${CMAKE_INSTALL_DATADIR}/singularity-eos/data) endif() From 9cc18af2a115d3239817760d4f0c76bad77cbe6e Mon Sep 17 00:00:00 2001 From: Jonah Maxwell Miller Date: Thu, 24 Aug 2023 13:33:53 -0600 Subject: [PATCH 65/65] missing ifdef --- python/module.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/python/module.cpp b/python/module.cpp index fbf999ebb9..2c716ecc85 100644 --- a/python/module.cpp +++ b/python/module.cpp @@ -111,11 +111,13 @@ PYBIND11_MODULE(singularity_eos, m) { .def_property_readonly("sieMin", &StellarCollapse::sieMin) .def_property_readonly("sieMax", &StellarCollapse::sieMax); +#ifdef SINGULARITY_USE_HELMHOLTZ eos_class(m, "Helmholtz") .def(py::init()) .def(py::init()) .def(py::init()); #endif +#endif #ifdef SINGULARITY_USE_EOSPAC constexpr bool use_scratch = true;