centos-openmpi.def

Bootstrap: yum 
OSVersion: 7
MirrorURL: http://mirror.centos.org/centos-7/7/os/x86_64/
Include: yum

%labels

    APPLICATION_NAME centos + openmpi
    APPLICATION_VERSION 7.7.1908 + 3.1.4
    APPLICATION_URL https://www.open-mpi.org/

    SINGULARITY_VERSION 2.6.1
    SINGULARITY_IMAGE_SIZE 4096

    AUTHOR_NAME Marty Kandes
    AUTHOR_EMAIL mkandes@sdsc.edu

    LAST_UPDATED 20200228

%setup

%environment

    # Set system locale
    export LC_ALL=C

    # Set paths to OpenMPI binaries and libraries
    export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
    export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"

    # Set paths to OSU Microbenchmarks binaries
    export PATH="/opt/omb-5.6.2/collective:${PATH}"
    export PATH="/opt/omb-5.6.2/one-sided:${PATH}"
    export PATH="/opt/omb-5.6.2/pt2pt:${PATH}"
    export PATH="/opt/omb-5.6.2/startup:${PATH}"

    # Set default miniconda environment
    export PATH="/opt/miniconda3/bin:${PATH}"

%post -c /bin/bash

    # Set system locale
    export LC_ALL=C

    # Add repositories
    yum -y install epel-release

    # Install system metapackages
    yum -y groupinstall "Development Tools"
    yum -y groupinstall "Additional Development"
    yum -y groupinstall "Compatibility Libraries"

    # Update all packages to their latest versions
    yum -y update

    # Install common packages
    yum -y install bc
    yum -y install cmake
    yum -y install curl
    yum -y install mlocate
    yum -y install rsync
    yum -y install time
    yum -y install wget
    yum -y install which

    # Install expect to automate responses for interactive build questions
    yum -y install expect

    # Use /tmp to store temporary files within the container during the
    # bootstraping process
    cd /tmp

    # Install miniconda3
    wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
    chmod +x Miniconda3-latest-Linux-x86_64.sh
    ./Miniconda3-latest-Linux-x86_64.sh -b -p /opt/miniconda3

    # Install basic drivers for user space access to Ethernet, RDMA,
    # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
    yum -y install dkms
    yum -y install infiniband-diags
    yum -y install infiniband-diags-devel
    yum -y install libibverbs
    yum -y install libibverbs-devel
    yum -y install ibacm
    yum -y install librdmacm
    yum -y install librdmacm-devel
    yum -y install libmlx4
    yum -y install libmlx5
    yum -y install msflint
    yum -y install libibcm
    yum -y install libibmad
    yum -y install libibmad-devel
    yum -y install libibumad
    yum -y install libibumad-devel
    yum -y install opensm
    yum -y install srptools

    # Install additional tools
    yum -y install ibutils
    yum -y install libibverbs-utils
    yum -y install rdmacm-utils
    yum -y install librdmacm-utils
    yum -y install perftest
    yum -y install numactl

    # Install libnl
    yum -y install libnl3
    yum -y install libnl3-devel

    # Install OpenMPI dependencies
    yum -y install zlib
    yum -y install zlib-devel

    # Download, build, and install OpenMPI
    wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz
    tar -xzvf openmpi-3.1.4.tar.gz
    cd openmpi-3.1.4
    ./configure --prefix=/opt/openmpi-3.1.4
    make all install

    # Set paths to OpenMPI binaries and libraries
    export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
    export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"

    cd /tmp

    # Download, build, and install OSU Microbenchmarks
    wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.2.tar.gz
    tar -xzvf osu-micro-benchmarks-5.6.2.tar.gz
    cd osu-micro-benchmarks-5.6.2
    ./configure --prefix='/opt/omb-5.6.2' CC='mpicc' CXX='mpicxx'
    make
    make install

    # Reorganize OSU Microbenchmarks directory structure
    cd /opt/omb-5.6.2
    mv libexec/osu-micro-benchmarks/mpi/collective ./
    mv libexec/osu-micro-benchmarks/mpi/one-sided ./
    mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
    mv libexec/osu-micro-benchmarks/mpi/startup ./
    rm -rf libexec

    # Set paths to OSU Microbenchmarks binaries
    export PATH="/opt/omb-5.6.2/collective:${PATH}"
    export PATH="/opt/omb-5.6.2/one-sided:${PATH}"
    export PATH="/opt/omb-5.6.2/pt2pt:${PATH}"
    export PATH="/opt/omb-5.6.2/startup:${PATH}"

    # Clean up /tmp directory
    cd /tmp
    rm Miniconda3-latest-Linux-x86_64.sh
    rm *.deb
    rm -rf openmpi-3.1.4*
    rm -rf osu-micro-benchmarks-5.6.2*

    # Update database for mlocate
    updatedb

%files

%runscript

%test