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reframe-hpc / reframe

A powerful Python framework for writing and running portable regression tests and benchmarks for HPC systems.
https://reframe-hpc.readthedocs.org
BSD 3-Clause "New" or "Revised" License
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[testlib] Added QuantumESPRESSO scalability test for `pw.x` #3134

Closed Crivella closed 4 months ago

Crivella commented 4 months ago

This PR adds a reframe reusable test for QuantumESPRESSO, aimed at testing the scaling pw.x executable.

The parameters ecut and nbnd can be tuned in order to increase the usage of either FFTW or diagonalization routines.

For now the input file is baked into the source code, but it could be easily moved to a separate repo, like for the GROMACS test

pep8speaks commented 4 months ago

Hello @Crivella, Thank you for updating!

Cheers! There are no PEP8 issues in this Pull Request!Do see the ReFrame Coding Style Guide

Comment last updated at 2024-03-13 10:34:31 UTC
jenkins-cscs commented 4 months ago

Can I test this patch?

victorusu commented 4 months ago

@crivella, the only thing I think it misses is the documentation associated to the hpctestlib. If you don't have time to write let me know.

codecov[bot] commented 4 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 86.66%. Comparing base (f2419e8) to head (091d253).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #3134 +/- ## ======================================== Coverage 86.66% 86.66% ======================================== Files 61 61 Lines 12092 12092 ======================================== Hits 10480 10480 Misses 1612 1612 ```

:umbrella: View full report in Codecov by Sentry.
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Crivella commented 4 months ago

@victorusu Let me know if what I've added with the last 2 commits is enough. I see there is a test failing but it does not seem to be related to my changes?

vkarak commented 4 months ago

@Crivella Could you also fix the styling issues listed here?

Hello @Crivella, Thank you for updating!

Line 56:1: W293 blank line contains whitespace Line 59:77: W291 trailing whitespace Line 62:66: W291 trailing whitespace Line 69:80: E501 line too long (100 > 79 characters) Line 87:50: W291 trailing whitespace

Do see the ReFrame Coding Style Guide

Comment last updated at 2024-03-05 09:25:49 UTC
Crivella commented 4 months ago

@vkarak Done! Sorry didn't realize the bot updated it's old message