Add Singularity.ubuntu-18.04-cuda-11.2-mlnx-ofed-4.7-3.2.9.0-openmpi-3.1.6

Currently working on an updated version of the DeepBench container in
the naked-singularity archive. DeepBench's OMB benchmarks require the
C++ language bindings for MPI, which were depreacted from the MPI
standard and removed from OpenMPI starting with the OpenMPI v4.x.x
series.

The DeepBench container will be used to help prepare acceptance tests
for Voyager on Expanse. Several of the proposed microbenchmark
acceptance tests for Voyager are based on the DeepBench GEMM, CONV, and
ALL-REDUCE benchmarks.

README.md

@@ -60,8 +60,8 @@ University of California, San Diego
 
 ## Version
 
-1.9.8
+1.9.9
 
 ## Last Updated
 
-Sunday, October 3rd, 2021
+Friday, October 22nd, 2021

definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-11.2-mlnx-ofed-4.7-3.2.9.0-openmpi-3.1.6

+Bootstrap: oras
+From: ghcr.io/mkandes/naked-singularity:ubuntu-18.04-cuda-11.2-mlnx-ofed-4.7-3.2.9.0
+
+%labels
+
+    APPLICATION_NAME ubuntu + cuda + mlnx-ofed + openmpi
+    APPLICATION_VERSION 18.04 + 11.2 + 4.7-3.2.9.0 + 3.1.6
+    APPLICATION_URL https://www.open-mpi.org
+
+    AUTHOR_NAME Marty Kandes
+    AUTHOR_EMAIL mkandes@sdsc.edu
+
+    LAST_UPDATED 20211022
+
+%setup
+
+%environment
+
+    # Set OpenMPI major, minor, and revision numbers, root and
+    # installation directories
+    export OMPI_MAJOR='3'
+    export OMPI_MINOR='1'
+    export OMPI_REVISION='6'
+    export OMPI_VERSION="${OMPI_MAJOR}.${OMPI_MINOR}.${OMPI_REVISION}"
+    export OMPI_ROOT_DIR='/opt/openmpi'
+    export OMPI_INSTALL_DIR="${OMPI_ROOT_DIR}/${OMPI_VERSION}"
+
+    # Set paths to OpenMPI binaries and libraries
+    export PATH="${OMPI_INSTALL_DIR}/bin:${PATH}"
+    export LD_LIBRARY_PATH="${OMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+    # Set operating system mirror URL
+    export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+    # Set operating system version
+    export OSVERSION='bionic'
+
+    # Set system locale
+    export LC_ALL='C'
+
+    # Set debian frontend interface
+    export DEBIAN_FRONTEND='noninteractive'
+
+    # Set NVIDIA driver and CUDA versions
+    export CUDA_DRIVER_MAJOR='460'
+    export CUDA_DRIVER_MINOR='32'
+    export CUDA_DRIVER_REVISION='03'
+    export CUDA_DRIVER_VERSION="${CUDA_DRIVER_MAJOR}.${CUDA_DRIVER_MINOR}.${CUDA_DRIVER_REVISION}"
+
+    export CUDA_MAJOR='11'
+    export CUDA_MINOR='2'
+    export CUDA_REVISION='2'
+    export CUDA_VERSION="${CUDA_MAJOR}.${CUDA_MINOR}.${CUDA_REVISION}"
+
+    export CUDNN_MAJOR='8'
+    export CUDNN_MINOR='1'
+    export CUDNN_REVISION='1.33'
+    export CUDNN_VERSION="${CUDNN_MAJOR}.${CUDNN_MINOR}.${CUDNN_REVISION}"
+
+    export NCCL_MAJOR='2'
+    export NCCL_MINOR='8'
+    export NCCL_REVISION='4'
+    export NCCL_VERSION="${NCCL_MAJOR}.${NCCL_MINOR}.${NCCL_REVISION}"
+
+    export TENSORRT_MAJOR='8'
+    export TENSORRT_MINOR='0'
+    export TENSORRT_REVISION='3'
+    export TENSORRT_VERSION="${TENSORRT_MAJOR}.${TENSORRT_MINOR}.${TENSORRT_REVISION}"
+
+    # Set paths to CUDA binaries and libraries
+    export CUDA_HOME="/usr/local/cuda-${CUDA_MAJOR}.${CUDA_MINOR}"
+
+    export CUDNN_INCLUDE='/usr/include'
+    export CUDNN_LIB='/usr/lib/x86_64-linux-gnu'
+
+    export NCCL_INCLUDE='/usr/include'
+    export NCCL_LIB='/usr/lib/x86_64-linux-gnu'
+
+    export TENSORRT_INCLUDE='/usr/include'
+    export TENSORRT_LIB='/usr/lib/x86_64-linux-gnu'
+
+    export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+    export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+    export LD_LIBRARY_PATH="${CUDNN_LIB}:${LD_LIBRARY_PATH}"
+    export LD_LIBRARY_PATH="${NCCL_LIB}:${LD_LIBRARY_PATH}"
+    export LD_LIBRARY_PATH="${TENSORRT_LIB}:${LD_LIBRARY_PATH}"
+
+    # DO NOT Upgrade all software packages to their latest versions
+    # apt-get -y update && apt-get -y upgrade
+
+    # Install OpenMPI dependencies
+    apt-get -y install zlib1g-dev
+
+    # Set OpenMPI major, minor, and revision numbers, root and
+    # installation directories
+    export OMPI_ROOT_URL='https://download.open-mpi.org/release/open-mpi'
+    export OMPI_MAJOR='3'
+    export OMPI_MINOR='1'
+    export OMPI_REVISION='6'
+    export OMPI_VERSION="${OMPI_MAJOR}.${OMPI_MINOR}.${OMPI_REVISION}"
+    export OMPI_ROOT_DIR='/opt/openmpi'
+    export OMPI_INSTALL_DIR="${OMPI_ROOT_DIR}/${OMPI_VERSION}"
+
+    cd /tmp
+
+    # Download, build, and install OpenMPI
+    wget "${OMPI_ROOT_URL}/v${OMPI_MAJOR}.${OMPI_MINOR}/openmpi-${OMPI_VERSION}.tar.gz"
+    tar -xf "openmpi-${OMPI_VERSION}.tar.gz"
+    cd "openmpi-${OMPI_VERSION}"
+    ./configure --prefix="${OMPI_INSTALL_DIR}" --enable-shared \
+      --disable-silent-rules --disable-builtin-atomics --enable-static \
+      --without-hcoll --without-psm --without-knem --without-psm2 \
+      --with-verbs=/usr --without-ofi --without-mxm --without-fca \
+      --without-xpmem --without-ucx --without-cma --without-slurm \
+      --without-tm --without-loadleveler --without-alps --without-lsf \
+      --without-sge --disable-memchecker --disable-java \
+      --disable-mpi-java --with-cuda --enable-mpi-cxx \
+      --enable-cxx-exceptions
+    make all install
+
+    cd /tmp
+
+    # Remove OpenMPI build directory and source tarball
+    rm -rf "openmpi-${OMPI_VERSION}"
+    rm "openmpi-${OMPI_VERSION}.tar.gz"
+
+    # Cleanup
+    apt-get -y autoremove --purge
+    apt-get -y clean
+
+    # Update database for mlocate
+    updatedb
+
+%files
+
+%runscript
+
+%test