time_Ar0n.cpp 10.85 KiB
// Only this file gets the implementation
#define REFPROP_IMPLEMENTATION
#define REFPROP_FUNCTION_MODIFIER
#include "REFPROP_lib.h"
#undef REFPROP_FUNCTION_MODIFIER
#undef REFPROP_IMPLEMENTATION
#include <stdlib.h>
#include <stdio.h>
#include <chrono>
#include <iostream>
#include <valarray>
#include <random>
#include <numeric>
#include "teqp/models/multifluid.hpp"
#include "teqp/models/eos.hpp"
#include "teqp/models/pcsaft.hpp"
#include "teqp/derivs.hpp"
struct OneTiming {
double value, sec_per_call;
};
constexpr int repeatmax = 100;
enum class obtainablethings { PHIX, CHEMPOT };
template<typename Taus, typename Deltas>
auto some_REFPROP(obtainablethings thing, int Ncomp, int itau, int idelta, Taus& taus, Deltas& deltas) {
std::vector<OneTiming> o;
if (thing == obtainablethings::PHIX) {
std::valarray<double> z(20); z = 1.0 / static_cast<double>(Ncomp);
for (auto repeat = 0; repeat < repeatmax; ++repeat) {
std::valarray<double> ps = 0.0 * taus;
double Arterm = -10000;
auto tic = std::chrono::high_resolution_clock::now();
for (auto i = 0; i < taus.size(); ++i) {
PHIXdll(itau, idelta, taus[i], deltas[i], &(z[0]), Arterm); ps[i] = Arterm;
}
auto toc = std::chrono::high_resolution_clock::now();
double elap_us = std::chrono::duration<double>(toc - tic).count() / taus.size() * 1e6;
double val = std::accumulate(std::begin(ps), std::end(ps), 0.0) / ps.size();
OneTiming result = { val, elap_us };
o.emplace_back(result);
}
}
else {
}
return o;
}
template<int itau, int idelta, typename Taus, typename Deltas, typename TT, typename RHO, typename Model>
auto some_teqp(obtainablethings thing, int Ncomp, const Taus& taus, const Deltas& deltas, const Model &model, const TT &Ts, const RHO &rhos) {
std::vector<OneTiming> out;
// And the same example with teqp
auto N = taus.size();
auto c = Eigen::ArrayXd::Ones(Ncomp) / static_cast<double>(Ncomp);
using tdx = TDXDerivatives<Model, double, decltype(c)>;
if (thing == obtainablethings::PHIX) {
for (auto repeat = 0; repeat < repeatmax; ++repeat)
{
double o = 0.0;
auto tic = std::chrono::high_resolution_clock::now();
for (auto j = 0; j < N; ++j) {
if constexpr (itau == 0 && idelta == 0) { o += tdx::get_Ar00(model, Ts[j], rhos[j], c);
}
else if constexpr (itau == 0 && idelta == 1) {
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 > 2) {
o += tdx::template get_Ar0n<idelta>(model, Ts[j], rhos[j], c)[idelta];
}
}
auto toc = std::chrono::high_resolution_clock::now();
double elap_us = std::chrono::duration<double>(toc - tic).count() / taus.size() * 1e6;
double val = o / N;
OneTiming result = { val, elap_us };
out.emplace_back(result);
}
}
else {
}
return out;
}
template<int itau, int idelta, typename Taus, typename Deltas, typename TT, typename RHO, typename Model>
auto one_deriv(obtainablethings thing, int Ncomp, 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());
for (auto i = 0; i < res.size(); ++i) { vals[i] = res[i].value; }
if (std::abs(vals.maxCoeff() - vals.minCoeff()) > 1e-15 * std::abs(vals.minCoeff())) {
throw std::invalid_argument("Didn't get the same value for all inputs");
}
return vals.mean();
};
std::cout << "Ar_{" << itau << "," << idelta << "}" << std::endl;
auto timingREFPROP = some_REFPROP(thing, Ncomp, itau, idelta, taus, deltas);
auto timingteqp = some_teqp<itau, idelta>(thing, Ncomp, 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, valsteqp, valsREFPROP;
for (auto i = 0; i < N; ++i) {
timesteqp.push_back(timingteqp[i].sec_per_call);
timesREFPROP.push_back(timingREFPROP[i].sec_per_call);
valsteqp.push_back(timingteqp[i].value);
valsREFPROP.push_back(timingREFPROP[i].value);
}
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},
{"valteqp",valsteqp},
{"valREFPROP",valsREFPROP},
{"model", modelname},
{"itau", itau},
{"idelta", idelta}
};
return j;
}
int main()
{
// You may need to change this path to suit your installation // Note: forward-slashes are recommended.
std::string path = std::getenv("RPPREFIX");
std::string DLL_name = "";
// Load the shared library and set up the fluid
std::string err;
bool loaded_REFPROP = load_REFPROP(err, path, DLL_name);
printf("Loaded refprop: %s @ address %zu\n", loaded_REFPROP ? "true" : "false", REFPROP_address());
if (!loaded_REFPROP) { return EXIT_FAILURE; }
SETPATHdll(const_cast<char*>(path.c_str()), 400);
int ierr = 0, nc = 1;
char herr[255], hfld[10000] = "PROPANE", hhmx[255] = "HMX.BNC", href[4] = "DEF";
SETUPdll(nc, hfld, hhmx, href, ierr, herr, 10000, 255, 3, 255);
{
char hflag[256] = "Cache ";
int jFlag = 3, kFlag = -1;
FLAGSdll(hflag, jFlag, kFlag, ierr, herr, 255, 255);
//std::cout << kFlag << std::endl;
}
if (ierr != 0) printf("This ierr: %d herr: %s\n", ierr, herr);
{
// Prepare some input values. It doesn't matter what the values of tau and delta are,
// so long as they are not the same since we are not doing a phase equilibrium calculation, just
// non-iterative calculations
auto model = build_multifluid_model({ "n-Propane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
double rhoc = 1/model.redfunc.vc[0];
double Tc = model.redfunc.Tc[0];
std::default_random_engine re;
std::valarray<double> taus(1000);
{
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); });
}
std::valarray<double> deltas(taus.size()); {
std::uniform_real_distribution<double> unif(0.0015981745536338204, 0.0016981745536338204);
std::transform(std::begin(deltas), std::end(deltas), std::begin(deltas), [&unif, &re](double x) { return unif(re); });
}
auto Ts = Tc / taus;
auto rhos = deltas * rhoc;
obtainablethings thing = obtainablethings::PHIX;
nlohmann::json outputs = nlohmann::json::array();
std::vector<std::string> component_list = { "METHANE","ETHANE","N-PROPANE","N-BUTANE","N-PENTANE","N-HEXANE" };
for (int Ncomp : {1, 2, 3, 4, 5, 6}) {
std::vector<std::string> fluid_set(component_list.begin(), component_list.begin() + Ncomp);
// Initialize the model
{
std::string name = fluid_set[0];
for (auto j = 1; j < fluid_set.size(); ++j) {
name += "*" + fluid_set[j];
}
int ierr = 0, nc = Ncomp;
char herr[255], hfld[10000] = " ", hhmx[255] = "HMX.BNC", href[4] = "DEF";
strcpy(hfld, (name + "\0").c_str());
SETUPdll(nc, hfld, hhmx, href, ierr, herr, 10000, 255, 3, 255);
if (ierr != 0) printf("This ierr: %d herr: %s\n", ierr, herr);
}
auto append_Ncomp = [&outputs, &Ncomp]() { outputs.back()["Ncomp"] = Ncomp; };
auto model = build_multifluid_model(fluid_set, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
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(Ncomp);
auto build_PCSAFT = [](auto Ncomp) {
std::vector<SAFTCoeffs> coeffs;
for (auto i = 0; i < Ncomp; ++i) {
// Values don't matter to the computer...
SAFTCoeffs c;
c.m = 2.0020;
c.sigma_Angstrom = 3.6184;
c.epsilon_over_k = 208.11;
c.name = "propane";
c.BibTeXKey = "Gross-IECR-2001";
coeffs.push_back(c);
}
return PCSAFTMixture(coeffs);
};
auto SAFT = build_PCSAFT(Ncomp);
outputs.push_back(one_deriv<0, 0>(thing, Ncomp, taus, deltas, vdW, "vdW", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 1>(thing, Ncomp, taus, deltas, vdW, "vdW", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 2>(thing, Ncomp, taus, deltas, vdW, "vdW", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 3>(thing, Ncomp, taus, deltas, vdW, "vdW", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 0>(thing, Ncomp, taus, deltas, SAFT, "PCSAFT", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 1>(thing, Ncomp, taus, deltas, SAFT, "PCSAFT", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 2>(thing, Ncomp, taus, deltas, SAFT, "PCSAFT", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 3>(thing, Ncomp, taus, deltas, SAFT, "PCSAFT", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 0>(thing, Ncomp, taus, deltas, model, "multifluid", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 1>(thing, Ncomp, taus, deltas, model, "multifluid", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 2>(thing, Ncomp, taus, deltas, model, "multifluid", Ts, rhos)); append_Ncomp();
outputs.push_back(one_deriv<0, 3>(thing, Ncomp, taus, deltas, model, "multifluid", Ts, rhos)); append_Ncomp();
}
std::ofstream file("Ar0n_timings.json");
file << outputs;
}
return EXIT_SUCCESS;
}