2022-01-06 SingularityCE Communit Call MPI Demo

mpitest.c

#include <mpi.h>
#include <stdio.h>
#include <stdlib.h>

int main (int argc, char **argv) {
        int rc;
        int size;
        int myrank;

        rc = MPI_Init (&argc, &argv);
        if (rc != MPI_SUCCESS) {
                fprintf (stderr, "MPI_Init() failed");
                return EXIT_FAILURE;
        }

        rc = MPI_Comm_size (MPI_COMM_WORLD, &size);
        if (rc != MPI_SUCCESS) {
                fprintf (stderr, "MPI_Comm_size() failed");
                goto exit_with_error;
        }

        rc = MPI_Comm_rank (MPI_COMM_WORLD, &myrank);
        if (rc != MPI_SUCCESS) {
                fprintf (stderr, "MPI_Comm_rank() failed");
                goto exit_with_error;
        }

        fprintf (stdout, "Hello, I am rank %d/%d\n", myrank, size);

        MPI_Finalize();

        return EXIT_SUCCESS;

 exit_with_error:
        MPI_Finalize();
        return EXIT_FAILURE;
}

openmpi-bind.def

Bootstrap: docker
From: fedora

%files
      mpitest /opt/mpitest

%runscript
      /opt/mpitest

openmpi-hybrid.def

Bootstrap: docker
From: ubuntu:18.04

%files
    mpitest.c /opt

%environment
    # Point to OMPI binaries, libraries, man pages
    export OMPI_DIR=/opt/ompi
    export PATH="$OMPI_DIR/bin:$PATH"
    export LD_LIBRARY_PATH="$OMPI_DIR/lib:$LD_LIBRARY_PATH"
    export MANPATH="$OMPI_DIR/share/man:$MANPATH"

%post
    echo "Installing required packages..."
    apt-get update && apt-get install -y wget git bash gcc gfortran g++ make file munge libmunge-dev libevent-dev libhwloc-dev zlib1g-dev

    echo "Installing PMIx"
    export PMIX_DIR=/opt/pmix
    export PMIX_VERSION=3.2.2
    export PMIX_URL="https://github.com/openpmix/openpmix/releases/download/v$PMIX_VERSION/pmix-$PMIX_VERSION.tar.bz2"
    mkdir -p /tmp/pmix
    cd /tmp/pmix && wget -O pmix-$PMIX_VERSION.tar.bz2 $PMIX_URL && tar -xjf pmix-$PMIX_VERSION.tar.bz2
    cd pmix-$PMIX_VERSION && ./configure --with-munge --prefix=$PMIX_DIR && make -j48 install
    unset PMIX_VERSION
    unset PMIX_URL	
    
    echo "Installing Open MPI"
    export OMPI_DIR=/opt/ompi
    export OMPI_VERSION=4.1.1
    export OMPI_URL="https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-$OMPI_VERSION.tar.bz2"
    mkdir -p /tmp/ompi
    mkdir -p /opt
    # Download
    cd /tmp/ompi && wget -O openmpi-$OMPI_VERSION.tar.bz2 $OMPI_URL && tar -xjf openmpi-$OMPI_VERSION.tar.bz2
    # Compile and install
    cd /tmp/ompi/openmpi-$OMPI_VERSION && ./configure --prefix=$OMPI_DIR --with-pmix=$PMIX_DIR && make -j48 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

    echo "Compiling the MPI application..."
    cd /opt && mpicc -o mpitest mpitest.c

%runscript
    /opt/mpitest

run.sh

#!/bin/sh
singularity run -B /usr/lib64/openmpi,/usr/lib64/pmix,/usr/share/pmix,/usr/lib64/libhwloc.so.15,/usr/lib64/libevent_core-2.1.so.7,/usr/lib64/libevent_pthreads-2.1.so.7,/usr/lib64/libfabric.so.1,/usr/lib64/librdmacm.so.1,/usr/lib64/libucp.so.0,/usr/lib64/libpsm_infinipath.so.1,/usr/lib64/libpsm2.so.2,/usr/lib64/libefa.so.1,/usr/lib64/libosmcomp.so.5,/usr/lib64/libuct.so.0,/usr/lib64/libinfinipath.so.4,/usr/lib64/libnuma.so.1,/usr/lib64/libnl-3.so.200,/usr/lib64/libibverbs.so.1,/usr/lib64/libucm.so.0,/usr/lib64/libnl-route-3.so.200,/usr/lib64/libibumad.so.3,/usr/lib64/libucs.so.0,/usr/lib64/libpmix.so.2,/usr/lib64/libmunge.so.2 openmpi-bind.sif