pcm-coordinator/examples/slurm/submit_example/mpi_container.def

Bootstrap: docker
From: ubuntu:latest

%files
    mpi_pingpong.c /opt

%environment
    export OMPI_DIR=/home0/opt/openmpi
    export SINGULARITY_OMPI_DIR=$OMPI_DIR
    export SINGULARITYENV_APPEND_PATH=$OMPI_DIR/bin
    export SINGULAIRTYENV_APPEND_LD_LIBRARY_PATH=$OMPI_DIR/lib

%post
    echo "Installing required packages..."
    apt-get update && apt-get install -y wget git bash gcc gfortran g++ make file

    echo "Installing Open MPI"
    export OMPI_DIR=/home0/opt/openmpi
    export OMPI_VERSION=4.0.3
    export OMPI_URL="https://download.open-mpi.org/release/open-mpi/v4.0/openmpi-$OMPI_VERSION.tar.bz2"
    mkdir -p /tmp/ompi
    mkdir -p /opt
    chmod a+w /opt/
    chmod a+r /opt/
    ls -la /tmp/ompi
    # Download
    cd /tmp/ompi && wget -O openmpi-$OMPI_VERSION.tar.bz2 $OMPI_URL && tar -xjf openmpi-$OMPI_VERSION.tar.bz2
    ls -la 
    # Compile and install
    cd /tmp/ompi/openmpi-$OMPI_VERSION && ./configure --prefix=$OMPI_DIR && make install
    # Set env variables so we can compile our application
    export PATH=$OMPI_DIR/bin:$PATH
    export LD_LIBRARY_PATH=$OMPI_DIR/lib:$LD_LIBRARY_PATH
    export MANPATH=$OMPI_DIR/share/man:$MANPATH
  #  rm -r tmp/mpi
    echo "Compiling the MPI application..."
    cd /opt  && mpicc -o mpi_pingpong  mpi_pingpong.c