Adds the rocm-mpich-base container.

mpi/rocm-mpich-base/README.md

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+# Building the rocm container
+
+This recipe can be built with the following build args 
+* `OS_VERSION` (default value is 22.04)
+* `LINUX_KERNEL` (default is 5.15.0-91)
+*  `ROCM_VERSION` (default is 6.0.2)
+
+This container provides:
+* libfabric
+* luster
+* luster aware mpi build with libfabric
+* rocm
+* rccl 
+* osu microbenchmarks that provide tests for checking the mpi works
+
+

mpi/rocm-mpich-base/buildrocm-mpich-base.dockerfile

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+ARG OS_VERSION="22.04"
+FROM ubuntu:${OS_VERSION}
+# redefine after FROM to ensure it is defined
+ARG OS_VERSION="22.04"
+
+#libfabric version 
+ARG LIBFABRIC_VERSION=1.18.1
+# mpich version
+ARG MPICH_VERSION="3.4.3"
+# lustre version
+ARG LUSTRE_VERSION="2.15.0-RC4"
+# mpi4py version
+ARG MPI4PY_VERSION="3.1.4"
+
+
+#define some metadata 
+LABEL org.opencontainers.image.created="2024-02"
+LABEL org.opencontainers.image.authors="Cristian Di Pietratonio <[email protected]>, Pascal Elahi <[email protected]>"
+LABEL org.opencontainers.image.documentation="https://github.com/PawseySC/pawsey-containers/"
+LABEL org.opencontainers.image.source="https://github.com/PawseySC/pawsey-containers/mpi/mpich-base/buildmpich.dockerfile"
+LABEL org.opencontainers.image.vendor="Pawsey Supercomputing Research Centre"
+LABEL org.opencontainers.image.licenses="GNU GPL3.0"
+LABEL org.opencontainers.image.title="Setonix compatible MPICH + ROCM base"
+LABEL org.opencontainers.image.description="Common base image providing mpi + rocm compatible with cray-mpich used on Setonix"
+LABEL org.opencontainers.image.base.name="pawsey/mpibase:ubuntu${OS_VERSION}-mpich-${MPICH_VERSION}.setonix"
+
+# Install required packages and dependencies
+ARG LINUX_KERNEL=5.15.0-91
+# for newer ubuntu might want to use newer kernels like 6.2.0-39
+ENV DEBIAN_FRONTEND="noninteractive"
+RUN echo "Install apt packages" \
+    && apt-get update -qq \
+    && apt-get -y --no-install-recommends install \
+        build-essential \
+        gnupg gnupg2 \
+        ca-certificates \
+        gdb \
+        gcc-12 g++-12 gfortran-12 \
+        wget \
+        git \
+        python3-six python3-setuptools \
+        patchelf strace ltrace \
+        libcrypt-dev \ 
+        libcurl4-openssl-dev \
+        libpython3-dev \
+        libreadline-dev \
+        libssl-dev \
+        sudo \
+        autoconf \
+        automake \
+        bison \
+        curl \
+        flex \
+        gcovr \
+        gdb \
+        libtool \
+        m4 \
+        make \
+        openssh-server \
+        patch \
+        python3-numpy \
+        python3-pip \
+        python3-scipy \
+        subversion \
+        tzdata \
+        valgrind \
+        vim \
+        wget \
+        xsltproc \
+        zlib1g-dev \
+        ninja-build \
+        libnuma-dev \
+        swig \
+        linux-tools-generic \
+        linux-source \
+        software-properties-common \
+        libkeyutils-dev libnl-genl-3-dev libyaml-dev \
+        # get the headers as well 
+        linux-headers-${LINUX_KERNEL}-generic linux-headers-${LINUX_KERNEL} \
+        libmount-dev pkg-config \
+        && echo "Done"
+
+# now to ensure we get very new cmake to make sure it will work with rocm
+RUN echo "Adding cmake " \
+    && apt -y remove --purge --auto-remove cmake \
+    && wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null \
+        | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null \
+    && apt-add-repository -y "deb https://apt.kitware.com/ubuntu/ jammy main" \
+    && apt -y update \
+    && apt -y --no-install-recommends install cmake \
+    && apt-get clean all \
+    && rm -r /var/lib/apt/lists/* \
+    && cmake --version \
+    && echo "Finished apt-get installs"
+
+# generate a kernel config for building luster
+RUN echo "Generate kernel config file" \
+    && cd /usr/src/linux-source-$(echo ${LINUX_KERNEL} | awk -F"-" '{print $1}')/ \ 
+    && ./debian/scripts/misc/annotations \
+        --arch amd64 --flavour generic --export > .config \
+    && echo "Finished"
+
+# Build and install libfabric, required for adding rccl
+RUN echo "Build libfabric" \
+    && (if [ -e /tmp/build ]; then rm -rf /tmp/build; fi;) \
+    && mkdir -p /tmp/build \
+    && cd /tmp/build \
+    && wget https://github.com/ofiwg/libfabric/archive/refs/tags/v${LIBFABRIC_VERSION}.tar.gz \
+    && tar xf v${LIBFABRIC_VERSION}.tar.gz \
+    && cd libfabric-${LIBFABRIC_VERSION} \ 
+    && ./autogen.sh \
+    && ./configure \
+    && make -j 16 \ 
+    && make install \
+    && rm -rf /tmp/build/v${LIBFABRIC_VERSION}.tar.gz \
+    && rm -rf /tmp/build/libfabric-${LIBFABRIC_VERSION} \
+    && echo "Done"
+
+# Build lustre and lustre aware mpich
+ARG LUSTRE_CONFIG_ARGS="--with-linux=/usr/lib/modules/${LINUX_KERNEL}-generic/build --disable-tests CFLAGS=-Wno-error=attribute-warning"
+RUN echo "Building lustre" \
+    && mkdir -p /tmp/lustre-build \
+    && cd /tmp/lustre-build \
+    && git clone git://git.whamcloud.com/fs/lustre-release.git \
+    && cd lustre-release \
+    # there appears to be an odd error with some release not being able to configure. 
+    # for the moment, just use the main branch rather than a particular version.
+    # && git fetch --tags && git checkout ${LUSTRE_VERSION} \
+    && chmod +x ./autogen.sh && ./autogen.sh \
+    && ./configure --disable-server --enable-client ${LUSTRE_CONFIG_ARGS}\
+    && make -j8 && make install \
+    && cd / \
+    && rm -rf /tmp/lustre-build \
+    && echo "Finished installing lustre"
+
+# Build MPICH
+ARG MPICH_CONFIGURE_OPTIONS="--without-mpe --enable-fortran=all --enable-shared --enable-sharedlibs=gcc --enable-debuginfo --enable-yield=sched_yield \
+--enable-g=mem --with-device=ch4:ofi --with-namepublisher=file \
+--with-shared-memory=sysv \
+--disable-allowport \
+--with-pm=gforker \
+--with-file-system=ufs+lustre+nfs \
+--enable-threads=runtime \
+--enable-fast=O2 \
+--enable-thread-cs=global \
+CC=gcc-12 CXX=g++-12 FC=gfortran-12 FFLAGS=-fallow-argument-mismatch"
+ARG MPICH_MAKE_OPTIONS=-j16
+COPY mpich_patches.tgz /tmp/
+RUN echo "Building MPICH ... " \
+    && mkdir -p /tmp/mpich-build \
+    && cd /tmp/mpich-build \
+    && wget http://www.mpich.org/static/downloads/${MPICH_VERSION}/mpich-${MPICH_VERSION}.tar.gz \
+    && tar xf mpich-${MPICH_VERSION}.tar.gz \
+    && cd mpich-${MPICH_VERSION}  \
+    # apply patches to get luster working (only relevant for mpich 3.4.3)
+    && tar xf /tmp/mpich_patches.tgz \
+    && patch -p0 < csel.patch \
+    && patch -p0 < ch4r_init.patch \
+    && ./configure ${MPICH_CONFIGURE_OPTIONS} \
+    && make ${MPICH_MAKE_OPTIONS} && make install \
+    && ldconfig \
+    && cp -p /tmp/mpich-build/mpich-${MPICH_VERSION}/examples/cpi /usr/bin/ \
+    && cd / \
+    && rm -rf /tmp/mpich-build \
+    && echo "Finished building MPICH" 
+
+# add mpi4py in the container 
+#RUN pip install --break-system-packages mpi4py==${MPI4PY_VERSION}
+RUN pip install mpi4py==${MPI4PY_VERSION}
+
+# Install ROCm (note that version to installer version incomplete)
+ARG ROCM_VERSION=6.0.2
+RUN echo "Building rocm ${ROCM_VERSION}" \
+    && rocm_major=$(echo ${ROCM_VERSION} | sed "s/\./ /g" | awk '{print $1}') \
+    && rocm_minor=$(echo ${ROCM_VERSION} | sed "s/\./ /g" | awk '{print $2}') \
+    && ROCM_INSTALLER_VERSION=$(echo ${ROCM_VERSION} | sed "s/\./0/g") \
+    # if rocm version does not list minor patch version number add 00 to end of installer version
+    && if [ $(echo ${ROCM_VERSION} | sed "s/\./\n/g" | wc -l) -eq "2" ]; then ROCM_INSTALLER_VERSION=${ROCM_INSTALLER_VERSION}"00"; fi \
+    && ROCM_INSTALLER_VERSION=${ROCM_INSTALLER_VERSION}"-1" \
+    && ROCM_INSTALLER_VERSION=${rocm_major}.${rocm_minor}.${ROCM_INSTALLER_VERSION} \
+    && cd /tmp/build \
+    # && wget https://bootstrap.pypa.io/get-pip.py \
+    # && python3 get-pip.py \
+    && roc_url="https://repo.radeon.com/amdgpu-install/"${ROCM_VERSION}"/ubuntu/jammy/amdgpu-install_"${ROCM_INSTALLER_VERSION}"_all.deb" \
+    && echo ${roc_url} \
+    && wget ${roc_url} \
+    && apt -y install ./amdgpu-install_${ROCM_INSTALLER_VERSION}_all.deb \
+    && amdgpu-install -y --usecase=hiplibsdk,rocm,hip,opencl \
+    && cd /tmp/build && rm -rf amdgpu-install_${ROCM_INSTALLER_VERSION}_all.deb \
+    && echo "Done"
+
+# Install aws-ofi-rccl
+ARG RCCL_CONFIGURE_OPTIONS="--prefix=/usr --with-mpi=/usr --with-libfabric=/usr --with-hip=/opt/rocm --with-rccl=/opt/rocm CC=gcc-12 CXX=g++-12"
+RUN echo "Build aws-ofi-rccl" \
+    && rocm_major=$(echo ${ROCM_VERSION} | sed "s/\./ /g" | awk '{print $1}') \
+    && gitrepo=https://github.com/ROCmSoftwarePlatform/aws-ofi-rccl.git \
+    # before rccl was not compatible with 6.0.2 till there was a PR that was merged. Leaving this to document that something similar could be ncessary in the future
+    #&& if [ "${rocm_major}" = "6" ]; then gitrepo=https://github.com/teojgo/aws-ofi-rccl.git; RCCL_CONFIGURE_OPTIONS=${RCCL_CONFIGURE_OPTIONS}" CFLAGS=-D__HIP_PLATFORM_AMD__ CXXFLAGS=-D__HIP_PLATFORM_AMD__"; fi \
+    # now just need to ensure that adding __HIP_PLATFORM_AMD__ to compilation as that was not being set in the 6.0.2 installation
+    && if [ "${rocm_major}" = "6" ]; then RCCL_CONFIGURE_OPTIONS=${RCCL_CONFIGURE_OPTIONS}" CFLAGS=-D__HIP_PLATFORM_AMD__ CXXFLAGS=-D__HIP_PLATFORM_AMD__"; fi \
+    && git clone ${gitrepo} \
+    && cd aws-ofi-rccl \
+    # this is only valid when was grabbing a fork for a fix. 
+    # && if [ "${rocm_major}" = "6" ]; then git checkout rocm60_memorytype_fix; fi \
+    && ./autogen.sh \
+    && ./configure ${RCCL_CONFIGURE_OPTIONS}} \
+    && make -j 16 \
+    && make install \
+    && cd /tmp \
+    && rm -rf /tmp/build \
+    && echo "Done"
+
+# Build OSU Benchmarks
+ARG OSU_VERSION="7.3"
+ARG OSU_CONFIGURE_OPTIONS="--prefix=/usr/local CC=mpicc CXX=mpicxx CFLAGS=-O3 --enable-rocm --with-rocm=/opt/rocm"
+ARG OSU_MAKE_OPTIONS="-j16"
+RUN echo "Building OSU" \
+    && rocm_major=$(echo ${ROCM_VERSION} | sed "s/\./ /g" | awk '{print $1}') \
+	&& mkdir -p /tmp/osu-benchmark-build \
+	&& cd /tmp/osu-benchmark-build \
+	&& wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-${OSU_VERSION}.tar.gz \
+	&& tar xzvf osu-micro-benchmarks-${OSU_VERSION}.tar.gz \
+	&& cd osu-micro-benchmarks-${OSU_VERSION} \
+    && if [ "${rocm_major}" = "6" ]; then OSU_CONFIGURE_OPTIONS=${OSU_CONFIGURE_OPTIONS}" CFLAGS=-D__HIP_PLATFORM_AMD__ CXXFLAGS=-D__HIP_PLATFORM_AMD__"; fi \
+	&& ./configure ${OSU_CONFIGURE_OPTIONS} \
+	&& make ${OSU_MAKE_OPTIONS} \
+	&& make install \
+	&& cd / \
+	&& rm -rf /tmp/osu-benchmark-build \
+	&& echo "Done"
+ENV PATH="/usr/local/libexec/osu-micro-benchmarks/mpi/collective:/usr/local/libexec/osu-micro-benchmarks/mpi/one-sided:/usr/local/libexec/osu-micro-benchmarks/mpi/pt2pt:/usr/local/libexec/osu-micro-benchmarks/mpi/startup:$PATH"
+
+# For the moment, not adding the more complex mpi tests as this can be added later
+# Add a more complex set of tests for MPI as well 
+# RUN echo "Adding some extra mpi tests " \
+#     && mkdir -p /opt/ \
+#     && cd /opt/ \
+#     && git clone https://github.com/pelahi/profile_util \
+#     && cd profile_util  \
+#     && sed -i "s:CXX=CC:CXX=g++:g" ./build_cpu.sh \
+#     && sed -i "s:MPICXX=CC:MPICXX=mpic++:g" ./build_cpu.sh \
+#     && sed -i "s:MPICXX=CC:MPICXX=mpic++:g" ./build_hip.sh \
+#     && ./build_hip.sh \
+#     && cd examples/mpi/ \
+#     && make MPICXX=mpic++ \
+#     && cd ../../examples/openmp \
+#     && make CXX=g++ bin/openmpvec_cpp \
+#     && cd ../../examples/gpu-mpi/ \
+#     && make \ 
+#     && echo "Done"
+
+# Set some environment variables related to gpu communication and libfabric
+ENV NCCL_SOCKET_IFNAME=hsn
+ENV CXI_FORK_SAFE=1
+ENV CXI_FORK_SAFE_HP=1
+ENV HSA_FORCE_FINE_GRAIN_PCIE=1
+ENV FI_CXI_DISABLE_CQ_HUGETLB=1
+
+# Singularity: will execute scripts in /.singularity.d/env/ at startup (and ignore those in /etc/profile.d/).
+#              Standard naming of "environment" scripts is 9X-environment.sh
+RUN mkdir -p /.singularity.d/env/
+RUN echo "export NCCL_SOCKET_IFNAME=hsn"  >> /.singularity.d/env/91-environment.sh \
+    && echo "export CXI_FORK_SAFE=1"  >> /.singularity.d/env/91-environment.sh \
+    && echo "export CXI_FORK_SAFE_HP=1" >> /.singularity.d/env/91-environment.sh \
+    && echo "export HSA_FORCE_FINE_GRAIN_PCIE=1" >> /.singularity.d/env/91-environment.sh \
+    && echo "export FI_CXI_DISABLE_CQ_HUGETLB=1" >> /.singularity.d/env/91-environment.sh
+
+# and copy the recipe into the docker recipes directory
+RUN mkdir -p /opt/docker-recipes/
+COPY buildrocm-mpich-base.dockerfile /opt/docker-recipes/