mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-25 12:35:15 -04:00
81 lines
2.1 KiB
Bash
Executable file
81 lines
2.1 KiB
Bash
Executable file
#!/bin/bash
|
|
|
|
# author: Ole Schuett
|
|
|
|
if (($# != 2)); then
|
|
echo "Usage: test_regtest.sh <ARCH> <VERSION>"
|
|
exit 1
|
|
fi
|
|
|
|
ARCH=$1
|
|
VERSION=$2
|
|
|
|
ulimit -c 0 # Disable core dumps as they can take a very long time to write.
|
|
|
|
# Check available shared memory - needed for MPI inter-process communication.
|
|
SHM_AVAIL=$(df --output=avail -m /dev/shm | tail -1)
|
|
if ((SHM_AVAIL < 1024)); then
|
|
echo "ERROR: Not enough shared memory. If you're running docker use --shm-size=1g."
|
|
exit 1
|
|
fi
|
|
|
|
# shellcheck disable=SC1091
|
|
source /opt/cp2k-toolchain/install/setup
|
|
|
|
# Make OpenMPI happy.
|
|
export OMPI_MCA_plm_rsh_agent=/bin/false
|
|
export OMPI_ALLOW_RUN_AS_ROOT=1
|
|
export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
|
|
|
|
# Use keepalive mode for GPU tests.
|
|
if [[ "${ARCH}" == *cuda* ]] || [[ "${ARCH}" == *hip* ]]; then
|
|
TESTOPTS="--keepalive ${TESTOPTS}"
|
|
fi
|
|
|
|
# Flag slow tests in debug runs.
|
|
if [[ "${ARCH}" == "local" ]] && [[ "${VERSION}" == *dbg* ]]; then
|
|
TESTOPTS="--flagslow ${TESTOPTS}"
|
|
fi
|
|
|
|
# Switch to stable DBCSR version if requested.
|
|
if [ -n "${USE_STABLE_DBCSR}" ]; then
|
|
echo "Switching to stable DBCSR version..."
|
|
if ! git -C cp2k/exts/dbcsr checkout v2.1.0-rc16; then
|
|
echo -e "\nSummary: Could not checkout stable DBCSR version."
|
|
echo -e "Status: FAILED\n"
|
|
exit 0
|
|
fi
|
|
ln -fs python3 /usr/bin/python # DBCSR v2.1.0-rc16 needs the python binary.
|
|
fi
|
|
|
|
# Compile cp2k.
|
|
echo -en "\nCompiling cp2k... "
|
|
cd /opt/cp2k || exit 1
|
|
if make -j ARCH="${ARCH}" VERSION="${VERSION}" &> make.out; then
|
|
echo "done."
|
|
else
|
|
echo -e "failed.\n\n"
|
|
tail -n 100 make.out
|
|
mkdir -p /workspace/artifacts/
|
|
cp make.out /workspace/artifacts/
|
|
echo -e "\nSummary: Compilation failed."
|
|
echo -e "Status: FAILED\n"
|
|
exit 0
|
|
fi
|
|
|
|
# Improve code coverage on COSMA.
|
|
export COSMA_DIM_THRESHOLD=0
|
|
|
|
# Extend stack size only for Intel compiler - otherwise it breaks tests on i386.
|
|
if "./exe/${ARCH}/cp2k.${VERSION}" --version | grep -q "compiler: Intel"; then
|
|
ulimit -s unlimited
|
|
export OMP_STACKSIZE=64m
|
|
fi
|
|
|
|
# Run regtests.
|
|
echo -e "\n========== Running Regtests =========="
|
|
make ARCH="${ARCH}" VERSION="${VERSION}" TESTOPTS="${TESTOPTS}" test
|
|
|
|
exit 0 # Prevent CI from overwriting do_regtest's summary message.
|
|
|
|
#EOF
|