mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-21 06:25:15 -04:00
Use pdbg for Rawhide tester (#5419)
This commit is contained in:
SY Wang
GitHub
parent
12598fa817
commit
adc2cbe104
11 changed files with 42 additions and 230 deletions
|
|
@ -82,19 +82,27 @@ add_compile_options(
|
|||
)
|
||||
|
||||
# Debug
|
||||
|
||||
# TODO: Replace deprecated MASTER constructs with MASKED (only available since
|
||||
# GCC 12) and remove "-Wno-error=deprecated-openmp" once GCC 11 support is
|
||||
# dropped.
|
||||
add_compile_options(
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-O1;${_CP2K_GNU_NATIVE_TUNE}>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:CXX,GNU>>:-O1;${_CP2K_GNU_NATIVE_TUNE}>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O1;${_CP2K_GNU_NATIVE_TUNE};-Wall;-Wextra;-Werror>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,GNU>,$<VERSION_GREATER_EQUAL:$<C_COMPILER_VERSION>,16>>:-Wno-error=deprecated-openmp>"
|
||||
)
|
||||
# FIXME: GCC 16 diagnoses legacy character-length mismatches that were not
|
||||
# reported by earlier GCC versions. Restore "-Werror=character-truncation" after
|
||||
# auditing and resolving them.
|
||||
add_compile_options(
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-fsanitize=leak;-Werror=realloc-lhs>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-fcheck=all,no-array-temps;-finline-matmul-limit=0>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-ffpe-trap=invalid,zero,overflow>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-finit-derived;-finit-real=snan;-finit-integer=-42>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=character-truncation;-Werror=intrinsic-shadow>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=intrinsics-std;-Werror=intrinsic-shadow>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=unused-dummy-argument;-Werror=unused-parameter>"
|
||||
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-Werror=unused-label;-Werror=conversion;-Werror=zerotrip>"
|
||||
|
|
|
|||
|
|
@ -312,23 +312,17 @@ timeout: 170
|
|||
host: GCP
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_fedora-psmp_report.txt
|
||||
|
||||
[rawhide-psmp]
|
||||
name: Rawhide Toolchain (psmp)
|
||||
[rawhide-pdbg]
|
||||
name: Rawhide Toolchain (pdbg)
|
||||
timeout: 170
|
||||
host: GCP
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_rawhide-psmp_report.txt
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_rawhide-pdbg_report.txt
|
||||
|
||||
[spack-ssmp-rawhide]
|
||||
name: Spack (ssmp, rawhide)
|
||||
[spack-pdbg-rawhide]
|
||||
name: Spack (pdbg, rawhide)
|
||||
timeout: 170
|
||||
host: GCP
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-ssmp-rawhide_report.txt
|
||||
|
||||
[spack-psmp-rawhide]
|
||||
name: Spack (psmp, rawhide)
|
||||
timeout: 170
|
||||
host: GCP
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-rawhide_report.txt
|
||||
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-pdbg-rawhide_report.txt
|
||||
|
||||
[spack-psmp-fedora]
|
||||
name: Spack (psmp, fedora)
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: podman build --shm-size=1g -f ./Dockerfile.test_rawhide-psmp ../../
|
||||
# Usage: podman build --shm-size=1g -f ./Dockerfile.test_rawhide-pdbg ../../
|
||||
#
|
||||
|
||||
FROM fedora:rawhide
|
||||
|
|
@ -70,7 +70,7 @@ COPY ./CMakeLists.txt .
|
|||
|
||||
# Compile CP2K.
|
||||
COPY ./tools/docker/scripts/build_cp2k.sh .
|
||||
RUN ./build_cp2k.sh toolchain psmp
|
||||
RUN ./build_cp2k.sh toolchain pdbg
|
||||
|
||||
# Run regression tests.
|
||||
ARG TESTOPTS=""
|
||||
|
|
@ -78,7 +78,7 @@ COPY ./tests ./tests
|
|||
COPY ./tools/docker/scripts/test_regtest.sh ./
|
||||
RUN /bin/bash -o pipefail -c " \
|
||||
TESTOPTS='${TESTOPTS}' \
|
||||
./test_regtest.sh toolchain psmp |& tee report.log && \
|
||||
./test_regtest.sh toolchain pdbg |& tee report.log && \
|
||||
rm -rf regtesting"
|
||||
|
||||
# Output the report if the image is old and was therefore pulled from the build cache.
|
||||
|
|
@ -1,6 +1,6 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: ./spack_cache_start.sh; podman build --shm-size=1g -t spack_psmp-rawhide -f ./Dockerfile.test_spack_psmp-rawhide ../../
|
||||
# Usage: ./spack_cache_start.sh; podman build --shm-size=1g -t spack_pdbg-rawhide -f ./Dockerfile.test_spack_pdbg-rawhide ../../
|
||||
#
|
||||
|
||||
ARG BASE_IMAGE="fedora:rawhide"
|
||||
|
|
@ -14,6 +14,7 @@ RUN dnf -qy install \
|
|||
g++ gcc gfortran \
|
||||
git \
|
||||
libffi-devel \
|
||||
liblsan \
|
||||
libtool \
|
||||
make \
|
||||
patch \
|
||||
|
|
@ -28,7 +29,7 @@ RUN dnf -qy install \
|
|||
&& dnf clean -q all
|
||||
|
||||
ARG IMAGE_TAG
|
||||
ENV IMAGE_TAG=${IMAGE_TAG:-spack_psmp-rawhide}
|
||||
ENV IMAGE_TAG=${IMAGE_TAG:-spack_pdbg-rawhide}
|
||||
|
||||
ARG SPACK_CACHE
|
||||
ENV SPACK_CACHE="${SPACK_CACHE:-s3://spack-cache --s3-endpoint-url=http://host.containers.internal:9000}"
|
||||
|
|
@ -39,13 +40,13 @@ COPY . cp2k/
|
|||
|
||||
# Build CP2K dependencies
|
||||
WORKDIR /opt/cp2k
|
||||
RUN ./make_cp2k.sh -bd_only -cv psmp -gpu none -mpi mpich -ue -ef openpmd
|
||||
RUN ./make_cp2k.sh -bd_only -cv pdbg -gpu none -mpi mpich -ue -ef openpmd
|
||||
|
||||
###### Stage 2: Build CP2K ######
|
||||
|
||||
FROM build_deps AS build_cp2k
|
||||
|
||||
RUN ./make_cp2k.sh -cv psmp -gpu none -mpi mpich -ef openpmd
|
||||
RUN ./make_cp2k.sh -cv pdbg -gpu none -mpi mpich -ef openpmd
|
||||
|
||||
###### Stage 3: Install CP2K ######
|
||||
|
||||
|
|
@ -54,6 +55,7 @@ FROM "${BASE_IMAGE}" AS install_cp2k
|
|||
RUN dnf -qy install \
|
||||
g++ gcc gfortran \
|
||||
python3 \
|
||||
liblsan \
|
||||
&& dnf clean -q all
|
||||
|
||||
WORKDIR /opt/cp2k
|
||||
|
|
@ -1,94 +0,0 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: ./spack_cache_start.sh; podman build --shm-size=1g -t spack_psmp -f ./Dockerfile.test_spack_psmp ../../
|
||||
#
|
||||
|
||||
ARG BASE_IMAGE="ubuntu:26.04"
|
||||
|
||||
###### Stage 1: Build CP2K dependencies ######
|
||||
|
||||
FROM "${BASE_IMAGE}" AS build_deps
|
||||
|
||||
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
||||
bzip2 \
|
||||
ca-certificates \
|
||||
cmake \
|
||||
g++ g++-14 gcc gcc-14 gfortran gfortran-14 \
|
||||
git \
|
||||
gnupg \
|
||||
libssh-dev \
|
||||
libssl-dev \
|
||||
libtool \
|
||||
libtool-bin \
|
||||
lsb-release \
|
||||
make \
|
||||
patch \
|
||||
pkgconf \
|
||||
python3 \
|
||||
python3-dev \
|
||||
python3-pip \
|
||||
python3-venv \
|
||||
unzip \
|
||||
wget \
|
||||
xxd \
|
||||
xz-utils \
|
||||
zlib1g \
|
||||
zlib1g-dev \
|
||||
zstd \
|
||||
&& rm -rf /var/lib/apt/lists/*
|
||||
|
||||
ARG IMAGE_TAG
|
||||
ENV IMAGE_TAG=${IMAGE_TAG:-spack_psmp}
|
||||
|
||||
ARG SPACK_CACHE
|
||||
ENV SPACK_CACHE="${SPACK_CACHE:-s3://spack-cache --s3-endpoint-url=http://host.containers.internal:9000}"
|
||||
|
||||
# Copy CP2K repository into container
|
||||
WORKDIR /opt
|
||||
COPY . cp2k/
|
||||
|
||||
# Build CP2K dependencies
|
||||
WORKDIR /opt/cp2k
|
||||
RUN ./make_cp2k.sh -bd_only -cv psmp -gpu none -gv 14 -mpi mpich -ue -ef openpmd
|
||||
|
||||
###### Stage 2: Build CP2K ######
|
||||
|
||||
FROM build_deps AS build_cp2k
|
||||
|
||||
RUN ./make_cp2k.sh -cv psmp -gv 14 -gpu none -mpi mpich -ef openpmd
|
||||
|
||||
###### Stage 3: Install CP2K ######
|
||||
|
||||
FROM "${BASE_IMAGE}" AS install_cp2k
|
||||
|
||||
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
||||
g++ g++-14 gcc gcc-14 gfortran gfortran-14 \
|
||||
python3 \
|
||||
&& rm -rf /var/lib/apt/lists/*
|
||||
|
||||
WORKDIR /opt/cp2k
|
||||
|
||||
# Install CP2K dependencies built with spack
|
||||
COPY --from=build_cp2k /opt/cp2k/spack/spack/opt/spack ./spack/spack/opt/spack
|
||||
|
||||
# Install CP2K
|
||||
COPY --from=build_cp2k /opt/cp2k/install ./install
|
||||
|
||||
# Install CP2K regression tests
|
||||
COPY --from=build_cp2k /opt/cp2k/tests ./tests
|
||||
COPY --from=build_cp2k /opt/cp2k/src/grid/sample_tasks ./src/grid/sample_tasks
|
||||
|
||||
# Install CP2K/Quickstep CI benchmarks
|
||||
COPY --from=build_cp2k /opt/cp2k/benchmarks/CI ./benchmarks/CI
|
||||
|
||||
# Do not rely only on LD_LIBRARY_PATH because it is fragile
|
||||
COPY --from=build_cp2k /etc/ld.so.conf.d/cp2k.conf /etc/ld.so.conf.d/cp2k.conf
|
||||
RUN ldconfig
|
||||
|
||||
# Run CP2K regression test
|
||||
RUN /opt/cp2k/install/bin/launch /opt/cp2k/install/bin/run_tests --keepalive || echo "ERROR: Tests failed"
|
||||
|
||||
# Create entrypoint and finalise container build
|
||||
WORKDIR /mnt
|
||||
ENTRYPOINT ["/opt/cp2k/install/bin/launch"]
|
||||
CMD ["cp2k", "--help", "--version"]
|
||||
|
|
@ -14,6 +14,7 @@ RUN dnf -qy install \
|
|||
g++ gcc gfortran \
|
||||
git \
|
||||
libffi-devel \
|
||||
liblsan \
|
||||
libtool \
|
||||
make \
|
||||
patch \
|
||||
|
|
@ -54,6 +55,7 @@ FROM "${BASE_IMAGE}" AS install_cp2k
|
|||
RUN dnf -qy install \
|
||||
g++ gcc gfortran \
|
||||
python3 \
|
||||
liblsan \
|
||||
&& dnf clean -q all
|
||||
|
||||
WORKDIR /opt/cp2k
|
||||
|
|
|
|||
|
|
@ -1,84 +0,0 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: ./spack_cache_start.sh; podman build --shm-size=1g -t spack_ssmp-rawhide -f ./Dockerfile.test_spack_ssmp-rawhide ../../
|
||||
#
|
||||
|
||||
ARG BASE_IMAGE="fedora:rawhide"
|
||||
|
||||
###### Stage 1: Build CP2K dependencies ######
|
||||
|
||||
FROM "${BASE_IMAGE}" AS build_deps
|
||||
|
||||
RUN dnf -qy install \
|
||||
cmake \
|
||||
g++ gcc gfortran \
|
||||
git \
|
||||
libffi-devel \
|
||||
libtool \
|
||||
make \
|
||||
patch \
|
||||
perl-core \
|
||||
pkg-config \
|
||||
python3 \
|
||||
python3-devel \
|
||||
unzip \
|
||||
wget \
|
||||
zlib-devel \
|
||||
zlib-static \
|
||||
&& dnf clean -q all
|
||||
|
||||
ARG IMAGE_TAG
|
||||
ENV IMAGE_TAG=${IMAGE_TAG:-spack_ssmp-rawhide}
|
||||
|
||||
ARG SPACK_CACHE
|
||||
ENV SPACK_CACHE="${SPACK_CACHE:-s3://spack-cache --s3-endpoint-url=http://host.containers.internal:9000}"
|
||||
|
||||
# Copy CP2K repository into container
|
||||
WORKDIR /opt
|
||||
COPY . cp2k/
|
||||
|
||||
# Build CP2K dependencies
|
||||
WORKDIR /opt/cp2k
|
||||
RUN ./make_cp2k.sh -bd_only -cv ssmp -gpu none -mpi no -ue
|
||||
|
||||
###### Stage 2: Build CP2K ######
|
||||
|
||||
FROM build_deps AS build_cp2k
|
||||
|
||||
RUN ./make_cp2k.sh -cv ssmp -gpu none -mpi no
|
||||
|
||||
###### Stage 3: Install CP2K ######
|
||||
|
||||
FROM "${BASE_IMAGE}" AS install_cp2k
|
||||
|
||||
RUN dnf -qy install \
|
||||
g++ gcc gfortran \
|
||||
python3 \
|
||||
&& dnf clean -q all
|
||||
|
||||
WORKDIR /opt/cp2k
|
||||
|
||||
# Install CP2K dependencies built with spack
|
||||
COPY --from=build_cp2k /opt/cp2k/spack/spack/opt/spack ./spack/spack/opt/spack
|
||||
|
||||
# Install CP2K
|
||||
COPY --from=build_cp2k /opt/cp2k/install ./install
|
||||
|
||||
# Install CP2K regression tests
|
||||
COPY --from=build_cp2k /opt/cp2k/tests ./tests
|
||||
COPY --from=build_cp2k /opt/cp2k/src/grid/sample_tasks ./src/grid/sample_tasks
|
||||
|
||||
# Install CP2K/Quickstep CI benchmarks
|
||||
COPY --from=build_cp2k /opt/cp2k/benchmarks/CI ./benchmarks/CI
|
||||
|
||||
# Do not rely only on LD_LIBRARY_PATH because it is fragile
|
||||
COPY --from=build_cp2k /etc/ld.so.conf.d/cp2k.conf /etc/ld.so.conf.d/cp2k.conf
|
||||
RUN ldconfig
|
||||
|
||||
# Run CP2K regression test
|
||||
RUN /opt/cp2k/install/bin/launch /opt/cp2k/install/bin/run_tests --keepalive || echo "ERROR: Tests failed"
|
||||
|
||||
# Create entrypoint and finalise container build
|
||||
WORKDIR /mnt
|
||||
ENTRYPOINT ["/opt/cp2k/install/bin/launch"]
|
||||
CMD ["cp2k", "--help", "--version"]
|
||||
|
|
@ -432,29 +432,21 @@ nodepools: pool-main
|
|||
build_path: /
|
||||
dockerfile: /tools/docker/Dockerfile.test_fedora-psmp
|
||||
|
||||
[rawhide-psmp]
|
||||
display_name: Fedora Rawhide
|
||||
[rawhide-pdbg]
|
||||
display_name: Fedora Rawhide (pdbg)
|
||||
tags: weekly-afternoon
|
||||
cpu: 32
|
||||
nodepools: pool-main
|
||||
build_path: /
|
||||
dockerfile: /tools/docker/Dockerfile.test_rawhide-psmp
|
||||
dockerfile: /tools/docker/Dockerfile.test_rawhide-pdbg
|
||||
|
||||
[spack-ssmp-rawhide]
|
||||
display_name: Spack (ssmp, rawhide)
|
||||
[spack-pdbg-rawhide]
|
||||
display_name: Spack (pdbg, rawhide)
|
||||
tags: weekly-afternoon
|
||||
cpu: 32
|
||||
nodepools: pool-main
|
||||
build_path: /
|
||||
dockerfile: /tools/docker/Dockerfile.test_spack_ssmp-rawhide
|
||||
|
||||
[spack-psmp-rawhide]
|
||||
display_name: Spack (psmp, rawhide)
|
||||
tags: weekly-afternoon
|
||||
cpu: 32
|
||||
nodepools: pool-main
|
||||
build_path: /
|
||||
dockerfile: /tools/docker/Dockerfile.test_spack_psmp-rawhide
|
||||
dockerfile: /tools/docker/Dockerfile.test_spack_pdbg-rawhide
|
||||
|
||||
[spack-psmp-fedora]
|
||||
display_name: Spack (psmp, fedora)
|
||||
|
|
|
|||
|
|
@ -37,9 +37,9 @@ def main() -> None:
|
|||
f.write(install_deps_toolchain(base_image="fedora:44"))
|
||||
f.write(regtest("toolchain", "psmp"))
|
||||
|
||||
with OutputFile(f"Dockerfile.test_rawhide-psmp", args.check) as f:
|
||||
with OutputFile(f"Dockerfile.test_rawhide-pdbg", args.check) as f:
|
||||
f.write(install_deps_toolchain(base_image="fedora:rawhide"))
|
||||
f.write(regtest("toolchain", "psmp"))
|
||||
f.write(regtest("toolchain", "pdbg"))
|
||||
|
||||
for version in "ssmp", "psmp":
|
||||
mpi_mode = "intelmpi" if version.startswith("p") else "no"
|
||||
|
|
@ -92,21 +92,10 @@ def main() -> None:
|
|||
)
|
||||
)
|
||||
|
||||
with OutputFile(f"Dockerfile.test_spack_ssmp-rawhide", args.check) as f:
|
||||
with OutputFile(f"Dockerfile.test_spack_pdbg-rawhide", args.check) as f:
|
||||
f.write(
|
||||
install_cp2k_spack(
|
||||
version="ssmp",
|
||||
mpi_mode="no",
|
||||
base_image="fedora:rawhide",
|
||||
testopts=testopts,
|
||||
image_tag=f.image_tag,
|
||||
)
|
||||
)
|
||||
|
||||
with OutputFile(f"Dockerfile.test_spack_psmp-rawhide", args.check) as f:
|
||||
f.write(
|
||||
install_cp2k_spack(
|
||||
version="psmp",
|
||||
version="pdbg",
|
||||
mpi_mode="mpich",
|
||||
base_image="fedora:rawhide",
|
||||
feature_flags="-ef openpmd",
|
||||
|
|
@ -816,6 +805,7 @@ RUN dnf -qy install \
|
|||
{gcc_compilers} \
|
||||
git \
|
||||
libffi-devel \
|
||||
liblsan \
|
||||
libtool \
|
||||
make \
|
||||
patch \
|
||||
|
|
@ -928,6 +918,7 @@ FROM "${{BASE_IMAGE}}" AS install_cp2k
|
|||
RUN dnf -qy install \
|
||||
{gcc_compilers} \
|
||||
python3 \
|
||||
liblsan \
|
||||
&& dnf clean -q all
|
||||
"""
|
||||
elif "opensuse/leap" in base_image:
|
||||
|
|
|
|||
|
|
@ -18,6 +18,7 @@ dnf -qy install \
|
|||
gfortran \
|
||||
git \
|
||||
less \
|
||||
liblsan \
|
||||
libtool \
|
||||
make \
|
||||
nano \
|
||||
|
|
|
|||
|
|
@ -156,8 +156,8 @@ reverse() (
|
|||
get_nprocs() {
|
||||
if [ -n "${NPROCS_OVERWRITE}" ]; then
|
||||
echo ${NPROCS_OVERWRITE} | sed 's/^0*//'
|
||||
elif $(command -v lscpu > /dev/null 2>&1); then
|
||||
echo $(lscpu -p=Core,Socket | grep -v '#' | sort -u | wc -l)
|
||||
elif $(command -v nproc > /dev/null 2>&1); then
|
||||
echo $(nproc --all)
|
||||
elif $(command -v sysctl > /dev/null 2>&1); then
|
||||
echo $(sysctl -n hw.ncpu)
|
||||
else
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue