From 2585774e4c08a449554bf4d4be8a19147a6005d0 Mon Sep 17 00:00:00 2001
From: Jan Siwiec <jan.siwiec@vsb.cz>
Date: Tue, 14 Apr 2020 13:37:48 +0200
Subject: [PATCH] Update orca.md
---
docs.it4i/software/chemistry/orca.md | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/docs.it4i/software/chemistry/orca.md b/docs.it4i/software/chemistry/orca.md
index 33aa111a4..9a9d50b46 100644
--- a/docs.it4i/software/chemistry/orca.md
+++ b/docs.it4i/software/chemistry/orca.md
@@ -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.
--
GitLab