Merge branch 'main' of github.com:hmeiland/amlhpc into main

hmeiland · Jan 11, 2024 · e6a9263 · e6a9263
2 parents 2e80f87 + 0044bdb
commit e6a9263
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diff --git a/README.md b/README.md
@@ -66,4 +66,4 @@ optional arguments:
   -w WRAP, --wrap WRAP  command line to be executed, should be enclosed with quotes
 ```
 
-If you encounter a scenario or option that is not supoprted yet or behaves unexpected, please create an issue and explain the option and the scenario.
+If you encounter a scenario or option that is not supported yet or behaves unexpected, please create an issue and explain the option and the scenario.
diff --git 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 
 ```