containers: add entire google set

Signed-off-by: vsoch <vsoch@users.noreply.github.com>
converged-computing · Sep 25, 2024 · 9cd7eab · 9cd7eab
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diff --git a/README.md b/README.md
@@ -29,8 +29,9 @@ For this first stage of work, I'm going to build a ton of containers. I am scopi
 ## Containers
 
 - [aws](aws): these are typically oriented to have libfabric.
+- [google](google): the same, but without libfabric
 
-All containers will also have oras for pushing and saving artifacts.
+All containers also have oras for pushing and saving artifacts.
 
 ## License
 

diff --git a/aws/stream/Dockerfile b/aws/stream/Dockerfile
@@ -4,8 +4,8 @@ ENV DEBIAN_FRONTEND=noninteractive
 FROM ubuntu:22.04
 
 # Build command
-#  docker build -t ghcr.io/converged-computiong/ensemble-lammps:libfabric .
-#  docker push ghcr.io/converged-computiong/ensemble-lammps:libfabric
+#  docker build -t ghcr.io/converged-computing/ensemble-stream:libfabric .
+#  docker push ghcr.io/converged-computing/ensemble-stream:libfabric
 
 ENV DEBIAN_FRONTEND=noninteractive
 RUN apt-get update && \

diff --git a/google/README.md b/google/README.md
@@ -0,0 +1,23 @@
+# Containers
+
+Note that these are all CPU containers. I would not have the funds, and I doubt the cloud have the capacity, to use GPU.
+I am also taking greater care in designing the layers.
+
+### AWS 
+
+> This typically means libfabric
+
+
+| Container                                               |  Dockerfile                          |
+|---------------------------------------------------------|--------------------------------------|
+| ghcr.io/converged-computing/ensemble-amg2023  | [Dockerfile](amg2023/Dockerfile)     |
+| ghcr.io/converged-computing/ensemble-lammps   | [Dockerfile](lammps/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-stream   | [Dockerfile](stream/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-kripke   | [Dockerfile](kripke/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-laghos   | [Dockerfile](laghos/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-minife   | [Dockerfile](minife/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-mixbench | [Dockerfile](mixbench/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-mt-gemm  | [Dockerfile](mt-gemm/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-osu      | [Dockerfile](osu/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-quicksilver   | [Dockerfile](quicksilver/Dockerfile)      |
+| ghcr.io/converged-computing/ensemble-stream   | [Dockerfile](stream/Dockerfile)      |
diff --git a/google/kripke/Dockerfile b/google/kripke/Dockerfile
@@ -0,0 +1,91 @@
+FROM ubuntu:22.04
+ENV DEBIAN_FRONTEND=noninteractive
+
+FROM ubuntu:22.04
+
+# Build command
+#  docker build -t ghcr.io/converged-computing/ensemble-kripke .
+#  docker push ghcr.io/converged-computing/ensemble-kripke
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && \
+    apt-get -qq install -y --no-install-recommends \
+        apt-utils \
+        autotools-dev \
+        autoconf \
+        automake \
+        bzip2 \
+        build-essential \
+        ca-certificates \
+        clang \
+        clang-tidy \
+        curl \
+        dnsutils \
+        gcc \
+        g++ \
+        git \
+        gfortran \
+        jq \ 
+        libibverbs-dev \
+        librdmacm-dev \
+        libtool \
+	libffi-dev \
+        locales \
+        make \
+        pkg-config \
+        python3-dev \
+        python3-pip \
+        rdma-core \
+        sudo \
+        strace \
+        telnet \
+        unzip \
+        wget && \
+    apt-get clean && \
+    rm -rf /var/lib/apt/lists/*
+
+RUN locale-gen en_US.UTF-8
+ENV LANG=C.UTF-8
+
+WORKDIR /opt
+RUN wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.gz && \
+    tar -xzvf openmpi-4.1.2.tar.gz && \
+    cd openmpi-4.1.2 && \
+    ./configure && \
+    make -j 4 && make install && ldconfig
+
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
+ENV PATH=/usr/local/pancakes/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
+ENV LD_LIBRARY_PATH=/usr/local/pancakes/lib:/usr/local/lib
+
+RUN apt-get update && apt-get install -y openssh-client openssh-server cmake && apt-get clean
+RUN echo "        LogLevel ERROR" >> /etc/ssh/ssh_config && \
+    echo "        StrictHostKeyChecking no" >> /etc/ssh/ssh_config && \
+    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config && \
+    cd /root && \
+    mkdir -p /run/sshd && \
+    ssh-keygen -t rsa -N "" -f /root/.ssh/id_rsa && chmod og+rX . && \
+    cd .ssh && cat id_rsa.pub > authorized_keys && chmod 644 authorized_keys
+EXPOSE 22
+
+WORKDIR /opt
+COPY ./gke.cmake /opt/gke.cmake
+
+RUN git clone /~https://github.com/LLNL/Kripke && \
+    cd Kripke && \
+    git submodule update --init --recursive && \
+    mkdir build && \
+    mv /opt/gke.cmake /opt/Kripke/host-configs/gke.cmake && \
+    cd /opt/Kripke/build && \
+    cmake  -C../host-configs/gke.cmake ../ && make && \
+    mv /opt/Kripke/build/kripke.exe /usr/local/bin/kripke && \
+    rm -rf /opt/Kripke
+
+# Put those bad bois on the path!
+ENV PATH=/opt/Kripke:/opt/Kripke/build/bin:$PATH
+WORKDIR /opt/Kripke
diff --git a/google/kripke/gke.cmake b/google/kripke/gke.cmake
@@ -0,0 +1,29 @@
+##
+## Copyright (c) 2016, Lawrence Livermore National Security, LLC.
+##
+## Produced at the Lawrence Livermore National Laboratory.
+##
+## All rights reserved.
+##
+##
+
+set(RAJA_COMPILER "RAJA_COMPILER_GNU" CACHE STRING "")
+set(RAJA_HOST_CONFIG_LOADED On CACHE Bool "")
+
+set(CMAKE_C_COMPILER   "gcc" CACHE PATH "")
+set(CMAKE_CXX_COMPILER "g++" CACHE PATH "")
+set(CMAKE_LINKER       "g++" CACHE PATH "")
+
+set(CMAKE_CXX_FLAGS "" CACHE STRING "")
+set(CMAKE_CXX_FLAGS_RELEASE "-O3" CACHE STRING "")
+set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O3 -g" CACHE STRING "")
+set(CMAKE_CXX_FLAGS_DEBUG "-O0 -g" CACHE STRING "")
+
+set(ENABLE_OPENMP Off CACHE BOOL "")
+set(ENABLE_CHAI On CACHE BOOL "")
+set(ENABLE_MPI On CACHE BOOL "")
+set(ENABLE_MPI_WRAPPER Off CACHE BOOL "")
+
+set(RAJA_HOST_CONFIG_LOADED On CACHE Bool "")
+set(CMAKE_BUILD_TYPE "Release" CACHE STRING "")
+set(CMAKE_EXE_LINKER_FLAGS "-lstdc++ -pthread" CACHE STRING "")
diff --git a/google/laghos/Dockerfile b/google/laghos/Dockerfile
@@ -0,0 +1,115 @@
+FROM ubuntu:22.04
+
+# Build command
+#  docker build -t ghcr.io/converged-computing/ensemble-laghos:libfabric .
+#  docker push ghcr.io/converged-computing/ensemble-laghos:libfabric
+
+# Compilers, autotools
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && \
+    apt-get -qq install -y --no-install-recommends \
+        apt-utils \
+        autotools-dev \
+        autoconf \
+        automake \
+        bzip2 \
+        build-essential \
+        ca-certificates \
+        clang \
+        clang-tidy \
+        curl \
+        dnsutils \
+        gcc \
+        g++ \
+        git \
+        gfortran \
+        jq \ 
+        libibverbs-dev \
+        librdmacm-dev \
+        libtool \
+	libffi-dev \
+        locales \
+        make \
+        pkg-config \
+        python3-dev \
+        python3-pip \
+        rdma-core \
+        sudo \
+        strace \
+        telnet \
+        unzip \
+        wget && \
+    apt-get clean && \
+    rm -rf /var/lib/apt/lists/*
+
+RUN locale-gen en_US.UTF-8
+ENV LANG=C.UTF-8
+
+WORKDIR /opt
+RUN git clone -b v1.21.1 /~https://github.com/ofiwg/libfabric.git /opt/libfabric && \
+    cd /opt/libfabric && ./autogen.sh && \
+    ./configure --enable-efa=yes --enable-tcp=yes --enable-udp=yes --enable-sockets=yes --enable-verbs=yes --enable-shm=yes --enable-mrail=yes --enable-rxd=yes --enable-rxm=yes && \
+    make -j 4 && make install
+
+RUN wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.gz && \
+    tar -xzvf openmpi-4.1.2.tar.gz && \
+    cd openmpi-4.1.2 && \
+    ./configure --with-ofi=/usr/local && \
+    make -j 4 && make install && ldconfig
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
+ENV PATH=/usr/local/pancakes/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
+ENV LD_LIBRARY_PATH=/usr/local/pancakes/lib:/usr/local/lib
+
+RUN apt-get update && apt-get install -y openssh-client openssh-server cmake && apt-get clean
+RUN echo "        LogLevel ERROR" >> /etc/ssh/ssh_config && \
+    echo "        StrictHostKeyChecking no" >> /etc/ssh/ssh_config && \
+    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config && \
+    cd /root && \
+    mkdir -p /run/sshd && \
+    ssh-keygen -t rsa -N "" -f /root/.ssh/id_rsa && chmod og+rX . && \
+    cd .ssh && cat id_rsa.pub > authorized_keys && chmod 644 authorized_keys
+EXPOSE 22
+
+WORKDIR /opt
+
+ENV MAKE_CXX_FLAG="MPICXX=mpic++"
+
+# Install hypre
+RUN apt-get install -y libc6-dev && \
+    export hypre_options="--disable-fortran --without-fei --enable-bigint" && \
+    wget --no-verbose /~https://github.com/hypre-space/hypre/archive/v2.31.0.tar.gz && \
+    tar -xzf v2.31.0.tar.gz && \
+    mv hypre-2.31.0 hypre && \
+    cd hypre/src && \
+   ./configure ${hypre_options} CC=mpicc CXX=mpic++ && \
+    make -j 4
+
+# Metis
+RUN wget --no-verbose /~https://github.com/mfem/tpls/raw/gh-pages/metis-4.0.3.tar.gz && \
+    tar -xzf metis-4.0.3.tar.gz && \
+    mv metis-4.0.3 metis-4.0 && \
+    make -j 4 -C metis-4.0/Lib CC=mpicc OPTFLAGS="-Wno-error=implicit-function-declaration -O2"
+
+RUN wget /~https://github.com/mfem/mfem/archive/refs/tags/v4.7.tar.gz && \
+    tar -xzvf v4.7.tar.gz && \
+    mv mfem-4.7 /opt/mfem && \
+    cd /opt/mfem && \
+    unset LD_LIBRARY_PATH && \
+    make config MFEM_USE_MPI=YES MPICXX=mpiCC MFEM_MPI_NP=2 MFEM_DEBUG=${DEBUG} CPPFLAGS="${CPPFLAGS}" && \
+    make -j 4
+
+WORKDIR /opt
+RUN wget /~https://github.com/CEED/Laghos/archive/refs/tags/v3.1.tar.gz && \ 
+    tar -xzvf v3.1.tar.gz && \
+    mv Laghos-3.1 /opt/laghos && \
+    cd /opt/laghos && \
+    make -j 4
+
+WORKDIR /opt/laghos
diff --git a/google/lammps/Dockerfile b/google/lammps/Dockerfile
@@ -0,0 +1,90 @@
+FROM ubuntu:22.04
+
+# Build command
+#  docker build -t ghcr.io/converged-computing/ensemble-lammps .
+#  docker push ghcr.io/converged-computing/ensemble-lammps
+
+# Compilers, autotools
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && \
+    apt-get -qq install -y --no-install-recommends \
+        apt-utils \
+        autotools-dev \
+        autoconf \
+        automake \
+        bzip2 \
+        build-essential \
+        ca-certificates \
+        clang \
+        clang-tidy \
+        curl \
+        dnsutils \
+        gcc \
+        g++ \
+        git \
+        gfortran \
+        jq \ 
+        libibverbs-dev \
+        librdmacm-dev \
+        libtool \
+	libffi-dev \
+        locales \
+        make \
+        pkg-config \
+        python3-dev \
+        python3-pip \
+        rdma-core \
+        sudo \
+        strace \
+        telnet \
+        unzip \
+        wget && \
+    apt-get clean && \
+    rm -rf /var/lib/apt/lists/*
+
+RUN locale-gen en_US.UTF-8
+ENV LANG=C.UTF-8
+
+WORKDIR /opt
+RUN wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.gz && \
+    tar -xzvf openmpi-4.1.2.tar.gz && \
+    cd openmpi-4.1.2 && \
+    ./configure && \
+    make -j 4 && make install && ldconfig
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
+ENV PATH=/usr/local/pancakes/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
+ENV LD_LIBRARY_PATH=/usr/local/pancakes/lib:/usr/local/lib
+
+RUN apt-get update && apt-get install -y openssh-client openssh-server cmake && apt-get clean
+RUN echo "        LogLevel ERROR" >> /etc/ssh/ssh_config && \
+    echo "        StrictHostKeyChecking no" >> /etc/ssh/ssh_config && \
+    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config && \
+    cd /root && \
+    mkdir -p /run/sshd && \
+    ssh-keygen -t rsa -N "" -f /root/.ssh/id_rsa && chmod og+rX . && \
+    cd .ssh && cat id_rsa.pub > authorized_keys && chmod 644 authorized_keys
+EXPOSE 22
+
+WORKDIR /opt
+RUN mkdir lammps && \
+   cd lammps && \
+   git init && \
+   git remote add origin /~https://github.com/lammps/lammps.git && \
+   git fetch --depth 1 origin a8687b53724b630fb5f454c8d7be9f9370f8bb3b && \
+   git checkout FETCH_HEAD && \
+   mkdir build && \
+   cd build && \
+    cmake ../cmake -D PKG_REAXFF=yes -D BUILD_MPI=yes -D PKG_OPT=yes -D FFT=FFTW3 \
+    -D CMAKE_INSTALL_PREFIX=/usr \
+    && make && make install 
+
+WORKDIR /code
+RUN cp -R /opt/lammps/examples/reaxff/HNS/* /code/ && \
+    chown -R 1000 /code /opt/lammps