From ed86a315aa65029cb25312d70066ee4d4d721310 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 16 Sep 2021 19:25:51 -0400
Subject: [PATCH] Update timing of Ar0n
---
src/{time_REFPROP.cpp => time_Ar0n.cpp} | 113 +++++++++++++-----------
1 file changed, 63 insertions(+), 50 deletions(-)
rename src/{time_REFPROP.cpp => time_Ar0n.cpp} (68%)
diff --git a/src/time_REFPROP.cpp b/src/time_Ar0n.cpp
similarity index 68%
rename from src/time_REFPROP.cpp
rename to src/time_Ar0n.cpp
index a8a345d..f0cd955 100644
--- a/src/time_REFPROP.cpp
+++ b/src/time_Ar0n.cpp
@@ -14,6 +14,8 @@
#include <numeric>
#include "teqp/models/multifluid.hpp"
+#include "teqp/models/eos.hpp"
+#include "teqp/models/pcsaft.hpp"
struct OneTiming {
double value, sec_per_call;
@@ -71,6 +73,9 @@ auto some_teqp(obtainablethings thing, const Taus& taus, const Deltas& deltas, c
o += tdx::get_Ar01(model, Ts[j], rhos[j], c);
//o += tdx::get_Ar0n<1>(model, Ts[j], rhos[j], c)[1];
}
+ else if constexpr (itau == 0 && idelta == 2) {
+ o += tdx::get_Ar02(model, Ts[j], rhos[j], c);
+ }
else if constexpr (itau == 0 && idelta > 1) {
o += tdx::get_Ar0n<idelta>(model, Ts[j], rhos[j], c)[idelta];
}
@@ -88,7 +93,7 @@ auto some_teqp(obtainablethings thing, const Taus& taus, const Deltas& deltas, c
}
template<int itau, int idelta, typename Taus, typename Deltas, typename TT, typename RHO, typename Model>
-auto one_deriv(obtainablethings thing, Taus& taus, Deltas& deltas, const Model& model, TT& Ts, RHO& rhos) {
+auto one_deriv(obtainablethings thing, Taus& taus, Deltas& deltas, const Model& model, const std::string &modelname, TT& Ts, RHO& rhos) {
auto check_values = [](auto res) {
Eigen::ArrayXd vals(res.size());
@@ -99,15 +104,30 @@ auto one_deriv(obtainablethings thing, Taus& taus, Deltas& deltas, const Model&
return vals.mean();
};
+ std::cout << "Ar_{" << itau << "," << idelta << "}" << std::endl;
+
auto timingREFPROP = some_REFPROP(thing, itau, idelta, taus, deltas);
auto timingteqp = some_teqp<itau, idelta>(thing, taus, deltas, model, Ts, rhos);
std::cout << "Values:" << check_values(timingREFPROP) << ", " << check_values(timingteqp) << std::endl;
auto N = timingREFPROP.size();
+ std::vector<double> timesteqp, timesREFPROP;
+ for (auto i = 0; i < N; ++i) {
+ timesteqp.push_back(timingteqp[i].sec_per_call);
+ timesREFPROP.push_back(timingREFPROP[i].sec_per_call);
+ }
for (auto i = 1; i < 6; ++i) {
std::cout << timingteqp[N-i].sec_per_call << ", " << timingREFPROP[N-i].sec_per_call << std::endl;
}
+ nlohmann::json j = {
+ {"timeteqp",timesteqp},
+ {"timeREFPROP",timesREFPROP},
+ {"model", modelname},
+ {"itau", itau},
+ {"idelta", idelta}
+ };
+ return j;
}
int main()
@@ -133,50 +153,6 @@ int main()
FLAGSdll(hflag, jFlag, kFlag, ierr, herr, 255, 255);
std::cout << kFlag << std::endl;
}
-
- {
- auto model = build_multifluid_model({ "Methane","Ethane","n-Propane","n-Butane"}, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
- auto tic = std::chrono::high_resolution_clock::now();
- using id = IsochoricDerivatives<decltype(model), double>;
- double T = 300;
- int N = 1000;
- auto rhovec = (Eigen::ArrayXd(4) << 0.1, 0.2, 0.3, 0.4).finished();
- for (auto j = 0; j < N; ++j) {
- auto val = id::build_d2PsirdTdrhoi_autodiff(model, T, rhovec);
- }
- auto toc = std::chrono::high_resolution_clock::now();
- double elap_us = std::chrono::duration<double>(toc - tic).count()/N*1e6;
- std::cout << elap_us << " us/call for temperature derivative of residual part of chemical potential" << std::endl;
- }
- {
- auto model = build_multifluid_model({ "Methane","Ethane","n-Propane","n-Butane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
- auto tic = std::chrono::high_resolution_clock::now();
- using id = IsochoricDerivatives<decltype(model), double>;
- double T = 300;
- int N = 1000;
- auto rhovec = (Eigen::ArrayXd(4) << 0.1, 0.2, 0.3, 0.4).finished();
- for (auto j = 0; j < N; ++j) {
- auto val = id::build_Psir_gradient_autodiff(model, T, rhovec);
- }
- auto toc = std::chrono::high_resolution_clock::now();
- double elap_us = std::chrono::duration<double>(toc - tic).count() / N * 1e6;
- std::cout << elap_us << " us/call for residual part of chemical potential" << std::endl;
- }
- {
- auto model = build_multifluid_model({ "Methane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
- auto tic = std::chrono::high_resolution_clock::now();
- using id = IsochoricDerivatives<decltype(model), double>;
- double T = 300;
- int N = 1000;
- auto rhovec = (Eigen::ArrayXd(1) << 1.0).finished();
- for (auto j = 0; j < N; ++j) {
- auto val = id::build_Psir_gradient_autodiff(model, T, rhovec);
- }
- auto toc = std::chrono::high_resolution_clock::now();
- double elap_us = std::chrono::duration<double>(toc - tic).count() / N * 1e6;
- std::cout << elap_us << " us/call for residual part of chemical potential" << std::endl;
- }
-
if (ierr != 0) printf("This ierr: %d herr: %s\n", ierr, herr);
{
auto model = build_multifluid_model({ "n-Propane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
@@ -186,7 +162,7 @@ int main()
//
std::default_random_engine re;
- std::valarray<double> taus(100000);
+ std::valarray<double> taus(10000);
{
std::uniform_real_distribution<double> unif(2.0941098901098902, 2.1941098901098902);
std::transform(std::begin(taus), std::end(taus), std::begin(taus), [&unif, &re](double x) { return unif(re); });
@@ -200,10 +176,47 @@ int main()
auto rhos = deltas * rhoc;
obtainablethings thing = obtainablethings::PHIX;
- one_deriv<0, 0>(thing, taus, deltas, model, Ts, rhos);
- one_deriv<0, 1>(thing, taus, deltas, model, Ts, rhos);
- one_deriv<0, 2>(thing, taus, deltas, model, Ts, rhos);
- one_deriv<0, 3>(thing, taus, deltas, model, Ts, rhos);
+
+ nlohmann::json outputs = nlohmann::json::array();
+
+ auto build_vdW = [](auto Ncomp) {
+ std::valarray<double> Tc_K(Ncomp), pc_Pa(Ncomp);
+ for (int i = 0; i < Ncomp; ++i) {
+ Tc_K[i] = 100.0 + 10.0 * i;
+ pc_Pa[i] = 1e6 + 0.1e6 * i;
+ }
+ return vdWEOS(Tc_K, pc_Pa);
+ };
+ auto vdW = build_vdW(1);
+ outputs.push_back(one_deriv<0, 0>(thing, taus, deltas, vdW, "vdW", Ts, rhos));
+ outputs.push_back(one_deriv<0, 1>(thing, taus, deltas, vdW, "vdW", Ts, rhos));
+ outputs.push_back(one_deriv<0, 2>(thing, taus, deltas, vdW, "vdW", Ts, rhos));
+ outputs.push_back(one_deriv<0, 3>(thing, taus, deltas, vdW, "vdW", Ts, rhos));
+
+ auto build_PCSAFT = [](auto Ncomp) {
+ SAFTCoeffs coeff;
+ std::vector<SAFTCoeffs> coeffs(1);
+ auto &c = coeffs[0];
+ c.m = 2.0020;
+ c.sigma_Angstrom = 3.6184;
+ c.epsilon_over_k = 208.11;
+ c.name = "propane";
+ c.BibTeXKey = "Gross-IECR-2001";
+ return PCSAFTMixture(coeffs);
+ };
+ auto SAFT = build_PCSAFT(1);
+ outputs.push_back(one_deriv<0, 0>(thing, taus, deltas, SAFT, "PCSAFT", Ts, rhos));
+ outputs.push_back(one_deriv<0, 1>(thing, taus, deltas, SAFT, "PCSAFT", Ts, rhos));
+ outputs.push_back(one_deriv<0, 2>(thing, taus, deltas, SAFT, "PCSAFT", Ts, rhos));
+ outputs.push_back(one_deriv<0, 3>(thing, taus, deltas, SAFT, "PCSAFT", Ts, rhos));
+
+ outputs.push_back(one_deriv<0, 0>(thing, taus, deltas, model, "multifluid", Ts, rhos));
+ outputs.push_back(one_deriv<0, 1>(thing, taus, deltas, model, "multifluid", Ts, rhos));
+ outputs.push_back(one_deriv<0, 2>(thing, taus, deltas, model, "multifluid", Ts, rhos));
+ outputs.push_back(one_deriv<0, 3>(thing, taus, deltas, model, "multifluid", Ts, rhos));
+
+ std::ofstream file("Ar0n_timings.json");
+ file << outputs;
}
return EXIT_SUCCESS;
}
\ No newline at end of file
--
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