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Commit 2585774e authored by Jan Siwiec's avatar Jan Siwiec
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Update orca.md

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4 merge requests!368Update prace.md to document the change from qprace to qprod as the default...,!367Update prace.md to document the change from qprace to qprod as the default...,!366Update prace.md to document the change from qprace to qprod as the default...,!323extended-acls-storage-section
......@@ -84,10 +84,10 @@ TOTAL RUN TIME: 0 days 0 hours 0 minutes 1 seconds 47 msec
## Running ORCA in Parallel
Your serial computation can be easily converted to parallel. Simply specify the number of parallel processes by the **%pal** directive. In this example, 4 nodes, 16 cores each are used.
Your serial computation can be easily converted to parallel. Simply specify the number of parallel processes by the `%pal` directive. In this example, 4 nodes, 16 cores each are used.
!!! warning
Do not use the **! PAL** directive as only PAL2 to PAL8 is recognized.
Do not use the `! PAL` directive as only PAL2 to PAL8 is recognized.
```bash
# Taken from the Orca manual
......@@ -117,7 +117,7 @@ orca orca_parallel.inp > output.out
```
!!! note
When running ORCA in parallel, ORCA should **NOT** be started with mpirun (e.g. mpirun -np 4 orca, etc.) like many MPI programs and has to be called with a full pathname.
When running ORCA in parallel, ORCA should **NOT** be started with `mpirun` (e.g. `mpirun -np 4 orca`, etc.) like many MPI programs and has to be called with a full pathname.
Submit this job to the queue and see the output file.
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