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====== 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 Universität 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 ==== <code> ssh -Y hd_*****@bwforcluster.bwservices.uni-heidelberg.de </code> (replace ***** with your uni id) ==== mount the cluster such that you can access the drive locally ==== <code> sshfs hd_*****@bwforcluster.bwservices.uni-heidelberg.de:/home/hd/hd_hd/hd_***** /Users/*****/bwfor -o volname=BWFOR </code> (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 <code> #!/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 "-----------------" </code> ==== 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