From 31fbe30866a0db1e92cca235bbc03e01ec1e3437 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 29 Jul 2021 16:30:19 -0400
Subject: [PATCH] Add a timing test for B12
---
interface/pybind11_wrapper.hpp | 1 +
notebooks/time_Ar0n.py | 25 +++++++++++++++++++++++++
2 files changed, 26 insertions(+)
diff --git a/interface/pybind11_wrapper.hpp b/interface/pybind11_wrapper.hpp
index 13e7ff9..107c1a6 100644
--- a/interface/pybind11_wrapper.hpp
+++ b/interface/pybind11_wrapper.hpp
@@ -36,6 +36,7 @@ void add_derivatives(py::module &m, Wrapper &cls) {
using vd = VirialDerivatives<Model, double, Eigen::Array<double,Eigen::Dynamic,1>>;
m.def("get_B2vir", &vd::get_B2vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
+ cls.def("get_B2vir", [](const Model& m, const double T, const RAX molefrac) { return vd::get_B2vir(m, T, molefrac); }, py::arg("T"), py::arg("molefrac").noconvert());
m.def("get_B12vir", &vd::get_B12vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
using ct = CriticalTracing<Model, double, Eigen::Array<double, Eigen::Dynamic, 1>>;
diff --git a/notebooks/time_Ar0n.py b/notebooks/time_Ar0n.py
index d16f6f6..fb13070 100644
--- a/notebooks/time_Ar0n.py
+++ b/notebooks/time_Ar0n.py
@@ -91,6 +91,30 @@ def time(*, model, n, Nrep, use_gen):
elap = (toc-tic)/Nrep
return elap
+def time_virials(*, Ncomp, Nrep):
+ T = 300
+ molefrac = np.array([1.0])
+
+ model = teqp.vdWEOS(
+ np.linspace(150.687, 160, Ncomp).tolist(),
+ np.linspace(4863000.0, 4.9e6, Ncomp).tolist()
+ )
+
+ f = getattr(model, f"get_B2vir")
+ # Warm up the core with some useless calls
+ for i in range(Nrep):
+ f(T, molefrac)
+ # Do the calculations
+ tic = timeit.default_timer()
+ for i in range(Nrep):
+ f(T, molefrac)
+ toc = timeit.default_timer()
+ elap = (toc-tic)/Nrep
+ return elap
+
+for Ncomp in np.arange(1, 20, 1):
+ print(Ncomp, time_virials(Nrep=10000, Ncomp=Ncomp))
+
def timeall(*, models, Nrep):
o = []
for use_gen in [True,False]:
@@ -138,6 +162,7 @@ def timeall(*, models, Nrep):
plt.close()
if __name__ == '__main__':
+
timeall(models=build_models(), Nrep= 10000)
def time_overhead(x):
--
GitLab