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Docker: Fix and update Intel oneAPI test

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Ole Schütt 2022-09-16 23:08:18 +02:00 • committed by Ole Schütt
parent 561bb86211
commit e711b3afaf
2 changed files with 12 additions and 19 deletions
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15
tools/docker/Dockerfile.test_intel-psmp
View file

@ -3,13 +3,12 @@
# Usage: docker build -f ./Dockerfile.test_intel-psmp ../../
#
FROM intel/oneapi-hpckit:2021.4-devel-ubuntu18.04
FROM intel/oneapi-hpckit:2022.2-devel-ubuntu20.04
# Without this cp2k segfaults right after startup.
# See https://github.com/cp2k/cp2k/issues/1936
ENV I_MPI_FABRICS='shm'
ENV PATH=/opt/intel/oneapi/compiler/2021.4.0/linux/bin/intel64:/opt/intel/oneapi/mpi/2021.4.0/bin:${PATH}
ENV LD_LIBRARY_PATH=/opt/intel/oneapi/mpi/2021.4.0/lib/release:/opt/intel/oneapi/mpi/2021.4.0/lib:/opt/intel/oneapi/mpi/2021.4.0/libfabric/lib:/opt/intel/oneapi/mkl/2021.4.0/lib/intel64:/opt/intel/oneapi/compiler/2021.4.0/linux/compiler/lib/intel64_lin:${LD_LIBRARY_PATH}
ENV MKLROOT=/opt/intel/oneapi/mkl/2021.4.0
ENV I_MPI_ROOT=/opt/intel/oneapi/mpi/2021.4.0
ENV FI_PROVIDER_PATH='/opt/intel/oneapi/mpi/2021.4.0/libfabric/lib/prov'
# Install requirements for the toolchain.
WORKDIR /opt/cp2k-toolchain
COPY ./tools/toolchain/install_requirements*.sh ./
@ -69,8 +68,6 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
./scripts/
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
# TODO: Remove --mpiranks=1, see github.com/cp2k/cp2k/issues/2103
# Install CP2K using local.psmp.
WORKDIR /opt/cp2k
COPY ./Makefile .
@ -89,7 +86,7 @@ COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
# Run regression tests.
ARG TESTOPTS="--mpiranks=1"
ARG TESTOPTS=""
COPY ./tools/docker/scripts/test_regtest.sh ./
RUN /bin/bash -o pipefail -c " \
TESTOPTS="${TESTOPTS}" \

16
tools/docker/generate_dockerfiles.py
View file

@ -31,9 +31,7 @@ def main() -> None:
f.write(toolchain_full(mpi_mode="openmpi", gcc="install") + regtest("psmp"))
with OutputFile(f"Dockerfile.test_intel-psmp", args.check) as f:
f.write(toolchain_intel())
f.write("\n# TODO: Remove --mpiranks=1, see github.com/cp2k/cp2k/issues/2103\n")
f.write(regtest("psmp", testopts="--mpiranks=1"))
f.write(toolchain_intel() + regtest("psmp"))
with OutputFile(f"Dockerfile.test_minimal", args.check) as f:
f.write(toolchain_full() + regtest("sdbg", "minimal"))
@ -416,15 +414,13 @@ RUN ln -sf /usr/bin/gcc-{gcc_version} /usr/local/bin/gcc && \
# ======================================================================================
def toolchain_intel() -> str:
# See https://github.com/cp2k/cp2k/issues/1936
return rf"""
FROM intel/oneapi-hpckit:2021.4-devel-ubuntu18.04
FROM intel/oneapi-hpckit:2022.2-devel-ubuntu20.04
# Without this cp2k segfaults right after startup.
# See https://github.com/cp2k/cp2k/issues/1936
ENV I_MPI_FABRICS='shm'
ENV PATH=/opt/intel/oneapi/compiler/2021.4.0/linux/bin/intel64:/opt/intel/oneapi/mpi/2021.4.0/bin:${{PATH}}
ENV LD_LIBRARY_PATH=/opt/intel/oneapi/mpi/2021.4.0/lib/release:/opt/intel/oneapi/mpi/2021.4.0/lib:/opt/intel/oneapi/mpi/2021.4.0/libfabric/lib:/opt/intel/oneapi/mkl/2021.4.0/lib/intel64:/opt/intel/oneapi/compiler/2021.4.0/linux/compiler/lib/intel64_lin:${{LD_LIBRARY_PATH}}
ENV MKLROOT=/opt/intel/oneapi/mkl/2021.4.0
ENV I_MPI_ROOT=/opt/intel/oneapi/mpi/2021.4.0
ENV FI_PROVIDER_PATH='/opt/intel/oneapi/mpi/2021.4.0/libfabric/lib/prov'
""" + install_toolchain(
base_image="ubuntu",
with_intel="",