graphcore-research / pyscf-ipu

PySCF on IPU
https://github.com/graphcore-research/pyscf-ipu#readme
Apache License 2.0
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Add performance benchmark tests #98

Open hatemhelal opened 1 year ago

hatemhelal commented 1 year ago

As the project evolves and we add more features it will be important to continually check that we aren't regressing on performance metrics. This issue can be used to discuss what we consider important performance metrics, here are a few that have been discussed previously:

Beyond this we may want some microbenchmarks for performance critical steps in the SCF algorithm (e.g. eigensolve, evaluation of ERI)

Ideally we would track this continuously for every PR so we are getting feedback closer to the time when possible regressions are introduced. This may require we run these checks on IPU hardware. Further requirements to be scoped as part of addressing this issue.

AlexanderMath commented 1 year ago

Write a "--benchmark_tracking True" argparse argument.

Goals:

Molecules/hw configuration

hatemhelal commented 1 year ago

We should look at this action:

https://github.com/benchmark-action/github-action-benchmark