From 7f1d62d6b96c06e6d239c83af6a58d250e519ea1 Mon Sep 17 00:00:00 2001
From: Martin Schroschk <martin.schroschk@tu-dresden.de>
Date: Wed, 31 Aug 2022 14:17:33 +0200
Subject: [PATCH] Make example collapsable
---
doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md | 4 +++-
1 file changed, 3 insertions(+), 1 deletion(-)
diff --git a/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md b/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
index db2765935..e16ec8bdb 100644
--- a/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
+++ b/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
@@ -117,7 +117,7 @@ We have a general description about
[how to utilize workspaces for your I/O intensive jobs](../data_lifecycle/workspaces.md).
However hereafter we have an example on how that might look like for Gaussian:
-!!! example "Using Workspaces with Gaussian"
+???+ example "Using workspaces with Gaussian"
```
#!/bin/bash
@@ -146,9 +146,11 @@ However hereafter we have an example on how that might look like for Gaussian:
# Check allocation.
test -z "${GAUSS_SCRDIR}" && echo "Error: Cannot allocate workspace ${COMPUTE_DIR}" && exit 1
+ # Change to workspace directory and execute application
cd ${GAUSS_SCRDIR}
srun g16 < "${INPUTFILE}" > logfile.log
+ # Save result files into user home
# Compress results with bzip2 (which includes CRC32 Checksums)
bzip2 --compress --stdout -4 "${GAUSS_SRCDIR}" > ${HOME}/gaussian_job-${SLURM_JOB_ID}.bz2
RETURN_CODE=$?
--
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