Commit 6dc40f54 authored by Yakubov, Sergey's avatar Yakubov, Sergey
Browse files

update to the latest version

parent 8e7cac89

.gitlab-ci.yml

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stages:

  - build



variables:

  GIT_STRATEGY: clone

  IMAGE_NAME: ${CI_REGISTRY_IMAGE}

  IMAGE_NAME_GPU: ${CI_REGISTRY_IMAGE}/gpu



before_script:

  - curl https://code.ornl.gov/rse-deployment/rse-sharables/raw/master/rse-bash-modules.sh -O

  - docker login -u $CI_REGISTRY_USER -p $CI_REGISTRY_PASSWORD $CI_REGISTRY

  - source rse-bash-modules.sh

  - func_rse_docker_cleanup



after_script:

  - curl https://code.ornl.gov/rse-deployment/rse-sharables/raw/master/rse-bash-modules.sh -O

  - source rse-bash-modules.sh

  - func_rse_docker_cleanup

  - sudo chown -R gitlab-runner .



build-dca-cpu:

  stage: build

  variables:

    TAG: "0.1"

    FORCE_TAGS: "false"

  when: manual

  script:

    - docker build -f dockerfiles/Dockerfile.cpu -t image .

    - docker tag image ${IMAGE_NAME}:$CI_COMMIT_SHORT_SHA

    - docker push ${IMAGE_NAME}:$CI_COMMIT_SHORT_SHA

    - >

      if [ "$CI_COMMIT_BRANCH" == "$CI_DEFAULT_BRANCH" ] || [ "$FORCE_TAGS" == "true" ]; then

        docker tag image ${IMAGE_NAME}:latest

        docker push ${IMAGE_NAME}:latest

        docker pull ${IMAGE_NAME}:${TAG} || docker tag image ${IMAGE_NAME}:${TAG} &&  docker push ${IMAGE_NAME}:${TAG}

      fi

  tags:

    - rse-multi-builder





build-dca-gpu:

  stage: build

  variables:

    TAG: "0.1"

    FORCE_TAGS: "false"

  when: manual

  script:

    - docker build -f dockerfiles/Dockerfile.gpu -t image .

    - docker tag image ${IMAGE_NAME_GPU}:$CI_COMMIT_SHORT_SHA

    - docker push ${IMAGE_NAME_GPU}:$CI_COMMIT_SHORT_SHA

    - >

      if [ "$CI_COMMIT_BRANCH" == "$CI_DEFAULT_BRANCH" ] || [ "$FORCE_TAGS" == "true" ]; then

        docker tag image ${IMAGE_NAME_GPU}:latest

        docker push ${IMAGE_NAME_GPU}:latest

        docker pull ${IMAGE_NAME_GPU}:${TAG} || docker tag image ${IMAGE_NAME_GPU}:${TAG} &&  docker push ${IMAGE_NAME_GPU}:${TAG}

      fi

  tags:

    - rse-multi-builder

dockerfiles/Dockerfile.cpu

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FROM ubuntu:20.04 as build



RUN DEBIAN_FRONTEND="noninteractive" apt-get update && apt-get -y install tzdata



RUN apt-get update \

  && apt-get install -y ssh \

      build-essential \

      wget \

      gcc \

      g++ \

      gdb \

      clang \

      make \

      ninja-build \

      autoconf \

      automake \

      locales-all \

      dos2unix \

      rsync \

      tar \

      python \

      openmpi-bin \

      libopenmpi-dev \

      libblas-dev \

      liblapack-dev \

      fftw3-dev \

      libhdf5-dev \

      git \

  && apt-get clean



RUN wget https://github.com/Kitware/CMake/releases/download/v3.20.0/cmake-3.20.0.tar.gz \

 && tar -zxvf cmake-3.20.0.tar.gz \

 && cd cmake-3.20.0 \

 && ./bootstrap -- -DCMAKE_USE_OPENSSL=OFF && make && make install && cd .. && rm -rf cmake-3.20.0



ENV ADIOS2_DIR=/opt/adios2

RUN mkdir -p $ADIOS2_DIR

COPY dockerfiles/install_adios2.sh /install_adios2.sh

RUN bash /install_adios2.sh



COPY . /DCA



RUN mkdir /DCA/build && cd  /DCA/build  \

 && cmake \

    -DCMAKE_BUILD_TYPE=Release \

    -DDCA_WITH_CUDA=off \

    -DDCA_WITH_ADIOS2=on  \

    -DDCA_CLUSTER_SOLVER=CT-INT \

    .. \

 && make



FROM ubuntu:20.04 as runtime



RUN DEBIAN_FRONTEND="noninteractive" apt-get update && apt-get -y install tzdata



RUN apt-get update \

  && apt-get install -y \

      openmpi-bin \

      libblas-dev\

      liblapack-dev \

      fftw3-dev \

      libhdf5-dev \

  && apt-get clean



COPY --from=build /opt/adios2 /opt/adios2

COPY --from=build /DCA/build/applications/analysis/chi_q_omega /dca/chi_q_omega

COPY --from=build /DCA/build/applications/dca/main_dca /dca/main_dca





CMD ["mpiexec","--allow-run-as-root","--map-by","socket:PE=2","-n","2","/dca/chi_q_omega","/input/input_file.json"]
 
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dockerfiles/Dockerfile.gpu

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FROM ubuntu:20.04 as build



ARG DEBIAN_FRONTEND=noninteractive



RUN apt-get update && apt-get -y install tzdata apt-utils



RUN apt-get update \

    && apt-get install -y ssh \

      build-essential \

      wget \

      gcc \

      g++ \

      gdb \

      clang \

      make \

      ninja-build \

      autoconf \

      automake \

      locales-all \

      dos2unix \

      rsync \

      tar \

      python \

      openmpi-bin \

      libopenmpi-dev \

      libblas-dev \

      liblapack-dev \

      fftw3-dev \

      libhdf5-dev \

      git > /dev/null \

  && apt-get clean > /dev/null



RUN wget -nv https://github.com/Kitware/CMake/releases/download/v3.20.0/cmake-3.20.0.tar.gz > /dev/null \

 && tar -zxvf cmake-3.20.0.tar.gz  > /dev/null \

 && cd cmake-3.20.0 \

 && ./bootstrap -- -DCMAKE_USE_OPENSSL=OFF > /dev/null && make > /dev/null && make install > /dev/null && cd .. \

 && rm -rf cmake-3.20.0 cmake-3.20.0.tar.gz \

 && echo cmake installed



RUN wget -nv https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/cuda-ubuntu2004.pin > /dev/null \

  && mv cuda-ubuntu2004.pin /etc/apt/preferences.d/cuda-repository-pin-600 \

  && wget -nv https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda-repo-ubuntu2004-11-4-local_11.4.0-470.42.01-1_amd64.deb > /dev/null \

  && dpkg -i cuda-repo-ubuntu2004-11-4-local_11.4.0-470.42.01-1_amd64.deb > /dev/null \

  && apt-key add /var/cuda-repo-ubuntu2004-11-4-local/7fa2af80.pub > /dev/null \

  && apt-get update > /dev/null \

  && apt-get -y install cuda > /dev/null \

  && apt-get clean > /dev/null \

  && rm cuda-repo-ubuntu2004-11-4-local_11.4.0-470.42.01-1_amd64.deb \

  && rm -rf ./var/cuda-repo-ubuntu2004-11-4-local \

  && echo cuda installed



COPY dockerfiles/install_magma.sh /install_magma.sh

RUN bash /install_magma.sh > /dev/null && echo magma installed



ENV ADIOS2_DIR=/opt/adios2

RUN mkdir -p $ADIOS2_DIR

COPY dockerfiles/install_adios2.sh /install_adios2.sh

RUN bash /install_adios2.sh > /dev/null && echo adios2 installed



ARG CUDA_HOME=/usr/local/cuda

ARG PATH=$PATH:$CUDA_HOME/bin



COPY . /DCA



RUN mkdir /DCA/build && cd  /DCA/build  \

 && cmake \

    -DCMAKE_PREFIX_PATH=/usr/local/magma \

    -DCMAKE_BUILD_TYPE=Release \

    -DDCA_WITH_CUDA=on \

    -DDCA_WITH_ADIOS2=on  \

    -DDCA_CLUSTER_SOLVER=CT-INT \

    .. \

 && make



RUN mkdir /dca && mv /DCA/build/applications/analysis/chi_q_omega /dca/chi_q_omega \

 && mv /DCA/build/applications/dca/main_dca /dca/main_dca

dockerfiles/Dockerfile.summit

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FROM code.ornl.gov:4567/olcfcontainers/olcfbaseimages/mpiimage-centos-cuda



RUN fakeroot dnf install -y \

      dos2unix \

      rsync \

      tar \

      cmake \

      python3 blas-devel lapack-devel fftw3-devel hdf5-devel python3-numpy \

      libffi-devel



RUN python3 -m pip install mpi4py



COPY dockerfiles/install_magma.sh /install_magma.sh

RUN bash /install_magma.sh #> /dev/null && echo magma installed



ENV ADIOS2_DIR=/opt/adios2

RUN mkdir -p $ADIOS2_DIR



COPY dockerfiles/install_adios2.sh /install_adios2.sh

RUN bash /install_adios2.sh



COPY . /DCA

RUN mkdir /DCA/build && cd  /DCA/build  \

 && cmake \

    -DCMAKE_PREFIX_PATH=/usr/local/magma \

    -DCMAKE_BUILD_TYPE=Release \

    -DDCA_WITH_CUDA=on \

    -DDCA_WITH_ADIOS2=on  \

    -DDCA_CLUSTER_SOLVER=CT-INT \

    .. \

 && make



RUN mkdir /dca && mv /DCA/build/applications/analysis/chi_q_omega /dca/chi_q_omega \

 && mv /DCA/build/applications/dca/main_dca /dca/main_dca

dockerfiles/install_adios2.sh

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#!/usr/bin/env bash

set -e



export CUDA_HOME=/usr/local/cuda

export PATH=$PATH:$CUDA_HOME/bin

git clone --branch v2.8.3 https://github.com/ornladios/ADIOS2.git ADIOS2

mkdir adios2-build && cd adios2-build



cmake ../ADIOS2 -DCMAKE_INSTALL_PREFIX=$ADIOS2_DIR -DADIOS2_USE_MPI=ON .



# stupid workaround because gcc inside Podman on Summit includes wring config.h

cat thirdparty/EVPath/EVPath/config.h >> thirdparty/dill/dill/config.h

cat thirdparty/ffs/ffs/config.h >> thirdparty/dill/dill/config.h

cat thirdparty/EVPath/EVPath/config.h >> thirdparty/ffs/ffs/config.h

cat thirdparty/EVPath/EVPath/config.h >> thirdparty/atl/atl/config.h





make

make install

cd ..

rm -rf ADIOS2 adios2-build
 
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