From 5ec6e75276cd96ef8186a074a387dcc15b9901e7 Mon Sep 17 00:00:00 2001 From: edoapra Date: Tue, 29 Mar 2022 17:26:30 -0700 Subject: [PATCH] github actions step for armci_network=ARMCI --- .github/workflows/github_actions.yml | 7 +++++++ travis/compile_nwchem.sh | 8 ++++++++ 2 files changed, 15 insertions(+) diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml index 39f5ca1793..a13bc34512 100644 --- a/.github/workflows/github_actions.yml +++ b/.github/workflows/github_actions.yml @@ -41,6 +41,13 @@ jobs: mpi_impl: mpich nwchem_modules: "qmandpw qmd" include: + - os: ubuntu-18.04 + experimental: true + mpi_impl: mpich + armci_network: ARMCI + nwchem_modules: "all" + fc: gfortran + blas: "internal" - os: ubuntu-18.04 experimental: true mpi_impl: mpich diff --git a/travis/compile_nwchem.sh b/travis/compile_nwchem.sh index 35689e2fe3..c39c744d8d 100755 --- a/travis/compile_nwchem.sh +++ b/travis/compile_nwchem.sh @@ -64,7 +64,15 @@ else # FOPT="-O2 -tp haswell" fi fi +fi +# install armci-mpi if needed +if [[ "$ARMCI_NETWORK" == "ARMCI" ]]; then + cd $NWCHEM_TOP/src/tools + ./install-armci-mpi + export EXTERNAL_ARMCI_PATH=$NWCHEM_TOP/external-armci fi + +#compilation if [[ "$os" == "Darwin" ]]; then if [[ "$NWCHEM_MODULES" == "tce" ]]; then FOPT="-O1 -fno-aggressive-loop-optimizations"