From 9df9569f3484116381aa60683a296ddf5e46bfb4 Mon Sep 17 00:00:00 2001 From: edoapra Date: Tue, 21 Jan 2025 18:07:11 -0800 Subject: [PATCH] build_mpich for nvfortran 2024 --- .github/workflows/github_actions.yml | 2 +- travis/build_env.sh | 2 ++ travis/nwchem.bashrc | 6 +++--- 3 files changed, 6 insertions(+), 4 deletions(-) diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml index 5b76cfda08..6c8b8b7dc4 100644 --- a/.github/workflows/github_actions.yml +++ b/.github/workflows/github_actions.yml @@ -281,7 +281,7 @@ jobs: use_simint: 1 - os: ubuntu-latest experimental: true - mpi_impl: mpich + mpi_impl: build_mpich armci_network: MPI-TS nwchem_modules: "nwdft solvation driver" fc: nvfortran diff --git a/travis/build_env.sh b/travis/build_env.sh index 331b8151e2..106c65728c 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -317,9 +317,11 @@ if [[ "$os" == "Linux" ]]; then fi fi # check for mpif90 command and exit if not present + if [[ "$MPI_IMPL" != "build_mpich" ]]; then if [[ ! $(command -v mpif90) ]]; then echo "mpif90 not present"; exit 1; fi echo "mpif90 -show output is " `mpif90 -show` || true echo "which mpif90 output is " `which mpif90` || true + fi # try to use ubuntu flaky GA pkg if [[ "$ARMCI_NETWORK" == "GA_DEBIAN" ]]; then $MYSUDO apt-get install -y libglobalarrays-dev libarmci-mpi-dev diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc index 79592bc420..f33d3289e7 100644 --- a/travis/nwchem.bashrc +++ b/travis/nwchem.bashrc @@ -107,6 +107,9 @@ if [[ -f "$IONEAPI_ROOT"/mpi/latest/env/vars.sh ]]; then source /opt/intel/oneapi/mkl/latest/env/vars.sh fi fi +if [[ "$MPI_IMPL" == "build_mpich" ]]; then + export BUILD_MPICH=1 +fi if [[ "$os" == "Darwin" ]]; then export NWCHEM_TARGET=MACX64 export DYLD_FALLBACK_LIBRARY_PATH=$TRAVIS_BUILD_DIR/lib:$DYLD_FALLBACK_LIBRARY_PATH @@ -116,9 +119,6 @@ if [[ "$os" == "Darwin" ]]; then if [[ "$MPI_IMPL" == "mpich" ]]; then export PATH=/usr/local/opt/mpich/bin/:$PATH fi - if [[ "$MPI_IMPL" == "build_mpich" ]]; then - export BUILD_MPICH=1 - fi fi if [[ "$os" == "Linux" ]]; then