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https://github.com/cp2k/cp2k.git
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46 lines
1.7 KiB
Bash
Executable file
46 lines
1.7 KiB
Bash
Executable file
#!/bin/bash
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# vim: dict+=/usr/share/beakerlib/dictionary.vim cpt=.,w,b,u,t,i,k
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# shellcheck disable=all
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source /usr/share/beakerlib/beakerlib.sh || exit 1
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rlJournalStart
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rlPhaseStartTest
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[[ -z "${CP2K_VARIANT}" ]] && rlDie "No CP2K_VARIANT environment variable set"
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rlRun "pushd tests" 0 "cd to cp2k tests folder"
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workdir="/tmp/cp2k-regtest-${CP2K_VARIANT}"
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rlRun "rm -rf ${workdir}" 0 "Clean previous workdir"
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rlRun "args=\"--workbasedir ${workdir} --maxtasks $(nproc) --ompthreads 2\"" 0 "Set base arguments"
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[[ "${CP2K_SKIP_UNITTEST,,}" == "true" ]] && rlRun "args=\"\$args --skip_unittests\"" 0 "Skip unit tests"
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[[ "${CP2K_SKIP_REGTEST,,}" == "true" ]] && rlRun "args=\"\$args --skip_regtests\"" 0 "Skip regression tests"
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[[ "${CP2K_SMOKE_ONLY,,}" == "true" ]] && rlRun "args=\"\$args --smoketest\"" 0 "Set smoketest flag"
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if [[ "${CP2K_VARIANT}" != "serial" ]]; then
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rlRun "module avail" 0 "Show available modules"
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rlRun "module load mpi/${CP2K_VARIANT}-$(arch)" 0 "Load MPI module: ${CP2K_VARIANT}"
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rlRun "args=\"\$args --mpiranks 2\"" 0 "Set MPI arguments"
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rlRun "args=\"\$args $MPI_BIN psmp\"" 0 "Set run specific arguments"
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else
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rlRun "args=\"\$args /usr/bin ssmp\"" 0 "Set run specific arguments"
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fi
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if [[ "${CP2K_VARIANT}" != "serial" ]]; then
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rlRun "ls ${MPI_BIN}/cp2k.psmp" 0 "Verify CP2K MPI binary exists"
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else
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rlRun "ls /usr/bin/cp2k.ssmp" 0 "Verify CP2K serial binary exists"
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fi
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rlRun "./do_regtest.py $args" 0 "Run regression tests"
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if [[ -d "${workdir}" ]]; then
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for file in ${workdir}/TEST-*/status.txt regtest-${CP2K_VARIANT}-status.txt; do
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rlFileSubmit $file
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done
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fi
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rlRun "popd"
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rlPhaseEnd
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rlJournalEnd
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