diff --git a/examples/QuantumESPRESSO/README.md b/examples/QuantumESPRESSO/README.md index 7fc688b..4d6cfaf 100644 --- a/examples/QuantumESPRESSO/README.md +++ b/examples/QuantumESPRESSO/README.md @@ -26,12 +26,10 @@ The runscript.sh is still pretty simple: #!/bin/bash echo "I'm running..." -mount -t cvmfs pilot.eessi-hpc.org /cvmfs/pilot.eessi-hpc.org +sudo mount -t cvmfs pilot.eessi-hpc.org /cvmfs/pilot.eessi-hpc.org source /cvmfs/pilot.eessi-hpc.org/latest/init/bash ml load QuantumESPRESSO export OMP_NUM_THREADS=4 -export OMPI_ALLOW_RUN_AS_ROOT=1 -export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 mpirun -n 30 pw.x -npool 2 -input ausurf.in ```