From 4d46df0eb15c98cf16357c45094a0737ae807796 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Tue, 12 Oct 2021 10:12:50 -0400
Subject: [PATCH] Add benchmarking script with Catch2
---
src/bench.cpp | 88 +++++++++++++++++++++++++++++++++++++++++++++++++++
1 file changed, 88 insertions(+)
create mode 100644 src/bench.cpp
diff --git a/src/bench.cpp b/src/bench.cpp
new file mode 100644
index 0000000..9e25ac4
--- /dev/null
+++ b/src/bench.cpp
@@ -0,0 +1,88 @@
+#define CATCH_CONFIG_ENABLE_BENCHMARKING
+#define CATCH_CONFIG_MAIN
+#include <catch/catch.hpp>
+
+#include "teqp/models/eos.hpp"
+#include "teqp/models/pcsaft.hpp"
+
+#include "teqp/derivs.hpp"
+
+TEST_CASE("vdW derivatives", "[vdW]")
+{
+ double Omega_b = 1.0 / 8, Omega_a = 27.0 / 64;
+ double Tcrit = 150.687, pcrit = 4863000.0; // Argon
+ double R = get_R_gas<double>(); // Universal gas constant
+ double b = Omega_b * R * Tcrit / pcrit;
+ double ba = Omega_b / Omega_a / Tcrit / R;
+ double a = b / ba;
+ auto model = vdWEOS1(a, b);
+ double T = 300, rho = 2;
+ std::valarray<double> z(2, 1.0);
+ using tdx = TDXDerivatives<decltype(model), double, decltype(z)>;
+
+ BENCHMARK("alphar") {
+ return model.alphar(T, rho, z);
+ };
+ BENCHMARK("alphar via get_Ar00") {
+ return tdx::get_Ar00(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ autodiff") {
+ return tdx::get_Ar01(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ multicomplex") {
+ return tdx::get_Ar01<ADBackends::multicomplex>(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ complex step") {
+ return tdx::get_Ar01<ADBackends::complex_step>(model, T, rho, z);
+ };
+ BENCHMARK("rho^2*d^2alphar/drho^2 w/ autodiff") {
+ return tdx::get_Ar02(model, T, rho, z);
+ };
+ BENCHMARK("rho^2*d^2alphar/drho^2 w/ multicomplex") {
+ return tdx::get_Ar02<ADBackends::multicomplex>(model, T, rho, z);
+ };
+ BENCHMARK("(1/T)*dalphar/d(1/T) w/ autodiff") {
+ return tdx::get_Ar10(model, T, rho, z);
+ };
+ BENCHMARK("(1/T)*dalphar/d(1/T) w/ mcx") {
+ return tdx::get_Ar10<ADBackends::multicomplex>(model, T, rho, z);
+ };
+}
+
+TEST_CASE("PCSAFT derivatives", "[PCSAFT]")
+{
+ std::vector<std::string> names = { "Methane", "Ethane" };
+ auto model = PCSAFTMixture(names);
+
+ double T = 300, rho = 2;
+ Eigen::ArrayX<double> z(2); z.fill(1.0);
+ using tdx = TDXDerivatives<decltype(model), double, decltype(z)>;
+
+ BENCHMARK("alphar") {
+ return model.alphar(T, rho, z);
+ };
+ BENCHMARK("alphar via get_Ar00") {
+ return tdx::get_Ar00(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ autodiff") {
+ return tdx::get_Ar01(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ multicomplex") {
+ return tdx::get_Ar01<ADBackends::multicomplex>(model, T, rho, z);
+ };
+ BENCHMARK("rho*dalphar/drho w/ complex step") {
+ return tdx::get_Ar01<ADBackends::complex_step>(model, T, rho, z);
+ };
+ BENCHMARK("rho^2*d^2alphar/drho^2 w/ autodiff") {
+ return tdx::get_Ar02(model, T, rho, z);
+ };
+ BENCHMARK("rho^2*d^2alphar/drho^2 w/ multicomplex") {
+ return tdx::get_Ar02<ADBackends::multicomplex>(model, T, rho, z);
+ };
+ BENCHMARK("(1/T)*dalphar/d(1/T) w/ autodiff") {
+ return tdx::get_Ar10(model, T, rho, z);
+ };
+ /*BENCHMARK("(1/T)*dalphar/d(1/T) w/ mcx") {
+ return tdx::get_Ar10<ADBackends::multicomplex>(model, T, rho, z);
+ };*/
+}
\ No newline at end of file
--
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