From da2105d12f1d883f9c6cbcf288d300af54b04f87 Mon Sep 17 00:00:00 2001
From: Natalie Breidenbach <natalie.breidenbach@tu-dresden.de>
Date: Tue, 28 Nov 2023 13:24:07 +0100
Subject: [PATCH] Update nanoscale_simulations.md
---
.../docs/software/nanoscale_simulations.md | 7 ++++---
1 file changed, 4 insertions(+), 3 deletions(-)
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 d34fa04fa..8775f51cf 100644
--- a/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
+++ b/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
@@ -64,6 +64,8 @@ please look at the [GAMESS home page](https://www.msg.chem.iastate.edu/gamess/in
GAMESS is available as [modules](modules.md) within the classic environment. Available packages can
be listed and loaded with the following commands:
+_The module environments /hiera, /scs5, /classic and /ml originated from the taurus system are momentarily under construction. The script will be updated after completion of the redesign accordingly_
+
```console
marie@login$ module load modenv/classic
[...]
@@ -89,8 +91,8 @@ For runs with [Slurm](../jobs_and_resources/slurm.md), please use a script like
module load modenv/classic
module load gamess
-rungms.slurm cTT_M_025.inp /scratch/ws/0/marie-gamess
-# the third parameter is the location of your scratch directory
+rungms.slurm cTT_M_025.inp /data/horse/ws/0/marie-gamess
+# the third parameter is the location of your horse directory
```
*GAMESS should be cited as:* "General Atomic and Molecular Electronic Structure System",
@@ -122,7 +124,6 @@ However hereafter we have an example on how that might look like for Gaussian:
```
#!/bin/bash
- #SBATCH --partition=haswell
#SBATCH --time=96:00:00
#SBATCH --nodes=1
#SBATCH --ntasks=1
--
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