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Add benchmarks #77
Description
Following #65, we should add benchmarks for possible future performance investigations.
Feel free to add to the list of functions to benchmark.
- direct calls to the residual Helmholtz energy function given a
StateHD(circumventing closure construction and cache) [Add benchmarks and Cargo profile using link-time optimization #89 ].- Helmholtz energy
- first derivative using
Dual64 - second derivative using
HyperDual64 - third derivative using
Dual3
- Properties of
State(creating aStateinside benchmark or manually clearing cache) [Add benchmarks and Cargo profile using link-time optimization #89] - functions including algorithms / solver
-
PhaseEquilibrium: constructors - critical point
-
- DFT
- surface tension
- pores
- Python
- identifying overhead
Notes
- Compare impact of compiler options
lto = "thin"versuslto = truetarget-cpu=native- and more?
Activity
prehner commentedon Dec 29, 2022
I added DFT benchmarks in #103. Comparing different solvers in a benchmark is not useful imo, because it gives a very limited insight into the capabilities of the solver.
Do you have a specific thought on how to identify Python overhead? For DFT it appears to be of the order of 2-3 ms, but very difficult to assess property.
g-bauer commentedon Jan 2, 2023
I am note sure. There are options to run Python code using pyo3 (
run,eval,from_code, etc.) but I am not sure if we can use these to make proper comparisons or get an idea of the overhead of a function/method. 2-3 ms seems to be a lot, though. Does that include calling a property that returns a numpy array?