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#!/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
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