Add/Update CASTEP benchmarks

ukri-excalibur / excalibur-tests

Performance benchmarks and regression tests for the ExCALIBUR project

https://ukri-excalibur.github.io/excalibur-tests/

Apache License 2.0

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Add/Update CASTEP benchmarks #64

Open tkoskela opened 1 year ago

tkoskela commented 1 year ago

Phil Hasnip works with CASTEP in the PAX-HPC project and expressed interest in collaborating on benchmarks. We have CASTEP benchmarks in apps/legacy, we should bring those up to date, or replace them with better benchmarks.

[x] Contact Phil
[ ] Assess validity of legacy benchmarks
[ ] Develop spack recipe
[ ] Develop/Update ReFrame scripts

tkoskela commented 2 months ago

Met with Phil, he is going to start working on this :partying_face: