diff --git a/.github/workflows/linuxWF.yml b/.github/workflows/linuxWF.yml index 0fd2640975..22c97aff4e 100644 --- a/.github/workflows/linuxWF.yml +++ b/.github/workflows/linuxWF.yml @@ -29,7 +29,7 @@ jobs: - -intel- - -pycv-mpi- #this does not install mpi but uses the internal one - - -nvhpc- + - -nvhpc-mpi- steps: - uses: actions/checkout@v4 - uses: actions/cache@v4 @@ -149,17 +149,6 @@ jobs: echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list sudo apt-get update -y sudo apt-get install -y nvhpc-24-3 - printenv >> $GITHUB_ENV - echo "CXX=mpic++" >> $GITHUB_ENV - echo "CC=mpicc" >> $GITHUB_ENV - echo "FC=mpif90" >> $GITHUB_ENV - echo "OMPI_MCA_btl_base_warn_component_unused=0" >> $GITHUB_ENV - echo "OMPI_MCA_btl_base_verbose=0" >> $GITHUB_ENV - echo "OMPI_MCA_plm=isolated" >> $GITHUB_ENV - echo "OMPI_MCA_btl_vader_single_copy_mechanism=none" >> $GITHUB_ENV - echo "OMPI_MCA_rmaps_base_oversubscribe=yes" >> $GITHUB_ENV - # pip install --user mpi4py - # python -c "import mpi4py" # nvhpcinstalls his own mpi compilers - name: Install MPI # install MPI at last since it modifies CC and CXX @@ -177,6 +166,7 @@ jobs: python -c "import mpi4py" - name: Build PLUMED run: | + mpic++ --version ccache -s -M 100M ./configure CXX="ccache $CXX" --enable-boost_serialization --disable-dependency-tracking --enable-modules=all LDFLAGS=-Wl,-rpath,$LD_LIBRARY_PATH $PLUMED_CONFIG --prefix="$HOME/opt" make -j 4