In order to register for an account at our cluster hosted at the RZ you need to follow a three step plan.

go to the site: https://www.bwhpc-c5.de/en/ZAS/bwforcluster_collaboration.php Here you select Universität Heidelberg

The Acronym and Password can be obtained from Maurits Haverkort. The institute is ITP

Register for access to the HPC cluster at the university of Heidelberg: https://bwforcluster.urz.uni-heidelberg.de/index.php?p=vor_registrierung

use as a project description and title: Calculations in collaboration with Haverkort

Add the service BWFor cluster MSL/WISO Production to your available services https://bwservices.uni-heidelberg.de/index.xhtml

ssh -Y hd_*****@bwforcluster.bwservices.uni-heidelberg.de

(replace * with your uni id)

sshfs hd_*****@bwforcluster.bwservices.uni-heidelberg.de:/home/hd/hd_hd/hd_***** /Users/*****/bwfor -o volname=BWFOR

(replace * with your uni id and local path where you want to mount the external folder)

Save the following code in a text file and make it executable (chmod +x filename). You submit the script with the command msub filename

#!/bin/bash
#MSUB -l nodes=1:best:ppn=32
#MOAB -A bw17e011
#MSUB -l walltime=5:00:00:00
#MSUB -N myjobname
#MSUB -V

export KMP_AFFINITY=compact,1,0
cd $MOAB_SUBMITDIR 

cat $0

export OMP_NUM_THREADS=32

echo "-----------------"
date
echo "-----------------"

echo "-----------------"
echo "lscpu"
lscpu
echo "-----------------"

Quanty G00_1hole.Quanty

echo "finished"

echo "-----------------"
date
echo "-----------------"

Your main directory is not that large. In order to run calculations one should create a workspace. See:

https://www.bwhpc-c5.de/wiki/index.php/BwForCluster_MLS%26WISO_Production_Filesystems