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Disable unfinished tests, change binary name
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jhenin committed Jan 4, 2024
1 parent 0e4ab24 commit b0c154d
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6 changes: 3 additions & 3 deletions gromacs/tests/interface/010_MPI_multi-sim/run.sh
Original file line number Diff line number Diff line change
Expand Up @@ -8,12 +8,12 @@
# if script called from `run_tests.sh` in the parent folder, retrieve the correct command binary from the argument
if [ "$1" ]
then
COMMAND=$1
BINARY=$1
else
COMMAND="mpirun -np 16 -oversubscribe gmx_mpi_d mdrun"
BINARY="gmx_mpi_d"
fi

$COMMAND -multidir a b c d -s test.tpr -deffnm test -replex 10 -reseed 376 2>&1 | tee test.out
mpirun -np 16 -oversubscribe $BINARY mdrun -multidir a b c d -s test.tpr -deffnm test -replex 10 -reseed 376 2>&1 | tee test.out

# Copy result files to be tested in the main folder
cp a/test.colvars.traj a/test.colvars.state .
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2 changes: 1 addition & 1 deletion gromacs/tests/library/run_tests.sh
Original file line number Diff line number Diff line change
Expand Up @@ -61,7 +61,7 @@ if echo $BINARY | grep -q gmx_mpi ; then
MPI_BUILD=yes
if source ${TOPDIR}/devel-tools/load-openmpi.sh ; then
MPIRUN_CMD="mpirun -n ${NUM_TASKS} -oversubscribe"
echo "Will run mdrun as: ${MPIRUN_CMD} mdrun"
echo "Will run mdrun as: ${MPIRUN_CMD} ${BINARY} mdrun"
TMPI_TASKS=""
fi
fi
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