openmpi-5.0.6.def

Bootstrap: docker
From: ubuntu:22.04

%environment
    # Basic OpenMPI paths
    export OMPI_DIR=/opt/ompi
    export PATH="/opt/ompi/bin:$PATH"
    export LD_LIBRARY_PATH="/opt/ompi/lib:$LD_LIBRARY_PATH"
    export MANPATH="/opt/ompi/share/man:$MANPATH"
    export PKG_CONFIG_PATH="/opt/ompi/lib/pkgconfig:$PKG_CONFIG_PATH"

    # UCX/OpenMPI specific settings
    export UCX_IB_ENABLE_CUDA_AFFINITY=n
    export UCX_NET_DEVICES=mlx5_0:1
    export UCX_IB_REG_METHODS=direct
    export OMPI_MCA_btl_openib_allow_ib=1
    export OMPI_MCA_btl_openib_if_include="mlx5_0:1"
    export OMPI_MCA_pml=ucx
    export OMPI_MCA_osc=ucx
    export OMPI_MCA_btl=^openib

    # PMIx settings
    export PMIX_MCA_psec=native
    export OMPI_MCA_btl_vader_single_copy_mechanism=none

    # Make sure we have reasonable default paths
    export PATH="/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:$PATH"

%post
    # Install essential build tools and dependencies
    apt-get update && apt-get install -y --no-install-recommends \
        build-essential \
        ca-certificates \
        wget \
        git \
        tar \
        gzip \
        perl \
        python3 \
        python-is-python3 \
        automake \
        autoconf \
        libtool \
        flex \
        hwloc \
        libhwloc-dev \
        pkg-config \
        zlib1g-dev \
        libnuma-dev \
        libslurm-dev \
        slurm-wlm \
        rdma-core \
        libibverbs1 \
        libibverbs-dev \
        ibverbs-providers \
        librdmacm1 \
        librdmacm-dev \
        perftest \
        libevent-dev \
        libevent-core-2.1-7 \
        libevent-extra-2.1-7 \
        libevent-openssl-2.1-7 \
        libevent-pthreads-2.1-7 \
        libev-dev \
        libssl-dev \
        openssl \
        gfortran \
        && rm -rf /var/lib/apt/lists/*

    # Create IB related symlinks if they don't exist
    mkdir -p /etc/libibverbs.d
    ln -sf /usr/lib/x86_64-linux-gnu/libibverbs.so.1 /usr/lib/libibverbs.so
    ln -sf /usr/lib/x86_64-linux-gnu/librdmacm.so.1 /usr/lib/librdmacm.so

    # Install libevent from source to ensure all components are available
    cd /tmp
    wget https://github.com/libevent/libevent/releases/download/release-2.1.12-stable/libevent-2.1.12-stable.tar.gz
    tar xzf libevent-2.1.12-stable.tar.gz
    cd libevent-2.1.12-stable
    ./configure --prefix=/usr
    make -j$(nproc)
    make install
    ldconfig

    # Install UCX with proper IB support
    export UCX_VERSION=1.14.1
    cd /tmp
    wget https://github.com/openucx/ucx/releases/download/v${UCX_VERSION}/ucx-${UCX_VERSION}.tar.gz
    tar -xvf ucx-${UCX_VERSION}.tar.gz
    cd ucx-${UCX_VERSION}
    ./configure --prefix=/usr \
        --enable-optimizations \
        --enable-mt \
        --enable-numa \
        --with-verbs \
        --with-rdmacm \
        --enable-gdr \
        --enable-mlx5-dv
    make -j$(nproc)
    make install
    ldconfig

    # Install PMIx
    cd /tmp
    wget https://github.com/openpmix/openpmix/releases/download/v4.2.7/pmix-4.2.7.tar.gz
    tar -xvf pmix-4.2.7.tar.gz
    cd pmix-4.2.7
    ./configure --prefix=/usr \
        --disable-python-bindings \
        --with-libevent=/usr \
        --with-libevent-libdir=/usr/lib
    make -j$(nproc)
    make install
    ldconfig

    # Install hwloc from source
    cd /tmp
    wget https://download.open-mpi.org/release/hwloc/v2.9/hwloc-2.9.3.tar.gz
    tar xzf hwloc-2.9.3.tar.gz
    cd hwloc-2.9.3
    ./configure --prefix=/usr
    make -j$(nproc)
    make install
    ldconfig

    # Build and install OpenMPI
    cd /tmp
    wget https://download.open-mpi.org/release/open-mpi/v5.0/openmpi-5.0.6.tar.gz
    tar -xvf openmpi-5.0.6.tar.gz
    cd openmpi-5.0.6

    # Configure OpenMPI with updated options for PMIx support
    ./configure --prefix=/opt/ompi \
        --with-ucx=/usr \
        --with-slurm=/usr \
        --with-pmix=/usr \
        --with-verbs=/usr \
        --with-verbs-libdir=/usr/lib/x86_64-linux-gnu \
        --enable-mpirun-prefix-by-default \
        --enable-orterun-prefix-by-default \
        --enable-mpi1-compatibility \
        --with-hwloc=/usr \
        --enable-builtin-atomics \
        --with-zlib \
        --enable-heterogeneous \
        --enable-mpi-fortran=yes \
        --enable-static=no

    make -j$(nproc)
    make install

    # Cleanup
    cd /
    rm -rf /tmp/ompi /tmp/pmix* /tmp/ucx* /tmp/libevent*

%labels
    Author Dinindu Senanayake
    Version v1.0
    OpenMPI_Version 5.0.6

%help
    This container provides OpenMPI 5.0.6 built with:
    - Slurm support with PMIx
    - PMIx v4.2.7 support
    - Infiniband support
    - UCX support
    - Hardware locality (hwloc) support

    To build:
    $ apptainer build openmpi.sif openmpi.def

    To run:
    $ srun --mpi=pmix apptainer exec openmpi.sif ./your_mpi_program