Table of Contents

Internal information

Access to our computer cluster

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

Step 1

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

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

Step 2

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

Step 3

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

Some useful scripts to access the cluster

access the cluster with ssh

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

(replace * with your uni id)

mount the cluster such that you can access the drive locally

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)

submit jobs to the cluster

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
#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 "-----------------"

create new workspaces

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