From ac97505bc7b296e89f6621270f080b3358c5cc81 Mon Sep 17 00:00:00 2001 From: edoapra Date: Fri, 9 Dec 2022 10:34:19 -0800 Subject: [PATCH] APPTAINERENV [ci skip] --- contrib/git.nwchem/github_actions_tahoma.txt | 3 +++ 1 file changed, 3 insertions(+) diff --git a/contrib/git.nwchem/github_actions_tahoma.txt b/contrib/git.nwchem/github_actions_tahoma.txt index cfa86958cf..e9d1aa5783 100644 --- a/contrib/git.nwchem/github_actions_tahoma.txt +++ b/contrib/git.nwchem/github_actions_tahoma.txt @@ -36,6 +36,9 @@ jobs: SINGULARITYENV_NWCHEM_BASIS_LIBRARY: /cluster/apps/nwchem/nwchem/src/basis/libraries/ SINGULARITYENV_SCRATCH_DIR: /big_scratch SINGULARITYENV_UCX_LOG_LEVEL: DIAG + APPTAINERENV_NWCHEM_BASIS_LIBRARY: /cluster/apps/nwchem/nwchem/src/basis/libraries/ + APPTAINERENV_SCRATCH_DIR: /big_scratch + APPTAINERENV_UCX_LOG_LEVEL: DIAG MPIRUN_NPOPT: -n NWCHEM_EXECUTABLE: "singularity exec /big_scratch/nwchems.img nwchem " steps: