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22d13e016e
Test the latest Intel oneAPI HPC Toolkit version with ssmp and psmp using the new ifx Fortran compiler. The existing Intel tests use still the old ifort compiler.
47 lines
1.5 KiB
Text
47 lines
1.5 KiB
Text
#
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# This file was created by generate_dockerfiles.py.
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# Usage: podman build --shm-size=1g -f ./Dockerfile.test_nvhpc ../../
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#
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FROM ubuntu:22.04
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# Install Ubuntu packages.
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RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
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apt-transport-https \
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ca-certificates \
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dirmngr \
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gnupg2 \
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libopenblas-dev \
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make \
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nano \
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python3 \
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wget \
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&& rm -rf /var/lib/apt/lists/*
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RUN apt-key adv --fetch-keys https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK
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RUN echo 'deb https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' > /etc/apt/sources.list.d/nvhpc.list
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# Install NVIDIA's HPC SDK but only keep the compilers to reduce Docker image size.
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RUN apt-get update -qq && \
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apt-get install -qq --no-install-recommends nvhpc-22-11 && \
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rm -rf /var/lib/apt/lists/* && \
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rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/math_libs && \
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rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/comm_libs && \
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rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/profilers && \
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rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/cuda
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ENV PATH ${PATH}:/opt/nvidia/hpc_sdk/Linux_x86_64/22.11/compilers/bin
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# Install CP2K using Linux-x86-64-nvhpc.ssmp.
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WORKDIR /opt/cp2k
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COPY ./Makefile .
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COPY ./src ./src
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COPY ./exts ./exts
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COPY ./data ./data
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COPY ./tests ./tests
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COPY ./tools/build_utils ./tools/build_utils
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COPY ./tools/regtesting ./tools/regtesting
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COPY ./arch/Linux-x86-64-nvhpc.ssmp /opt/cp2k/arch/
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# This takes over an hour!
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RUN make -j ARCH=Linux-x86-64-nvhpc VERSION=ssmp cp2k
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