Master no longer passing tests

[lachlanbelcher]

Hi, my master branch is up to date with Nwchem:master, but it's failing all the tests. If it's an exact copy of the nwchem master, how can it fail?

Thanks

[jeffhammond]

Bad compiler. Bad MPI. Etc. Please share an output file. It will help us help you.

[jeffhammond]

It's also possible somebody pushed a bug but that's relatively rare given the nice CI that Edo built.

[lachlanbelcher]

https://github.com/lachlanbelcher/nwchem/actions/runs/4746154310

Here is a link to the workflow actions. Are you able to access that?

[dmejiar]

@lachlanbelcher there seems to be an issue with the cache of GitHub actions. For some reason, the CI workflow is assigning an Xcode version to an Ubuntu build, but that cache does not exist:

2023-04-19T17:25:10.1086958Z with:
2023-04-19T17:25:10.1087163Z   path: ~/cache

2023-04-19T17:25:10.1087597Z   key: ubuntu-20.04-mpich-gfortran-xcode13.2.1-simint-blasbuild_openblas-blas_size8-libxc-tblite-simdavx512-nwchemcache-v003
2023-04-19T17:25:10.1088055Z   enableCrossOsArchive: false
2023-04-19T17:25:10.1088306Z   fail-on-cache-miss: false
2023-04-19T17:25:10.1088545Z   lookup-only: false

[dmejiar]

That was my mistake, the cache does exist. Still, there seems to be an issue with mpich coming out from the cache file

[edoapra]

@lachlanbelcher you need to clear your caches
Go to https://github.com/lachlanbelcher/nwchem/actions/workflows/clear_cache.yml
and click the "Run workflow" tab to the left of "This workflow has a workflow_dispatch event trigger."

[lachlanbelcher]

Thanks, this helped. On to the next issue!