Cluster 3

Revision as of 15:59, 19 August 2009 by Kolb (Talk)

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Information about the cluster (specs, queues, flags, ...) can be found in the QB3 cluster wiki. It is password-protected and will be accessible once you have obtained an account.

Obtaining an account

The individual steps are also described in this document.

Setting up a run

Scripts can be obtained from Peter and are located in ~kolb/Scripts/Cluster.

  • copy files with
  • unzip them with
  • it is possible to use the standard docking scripts (after copying them over).
  • major difference: more than one queue. The queue is selected based on the CPU time requirements.
#$ -l mem_free=1G                  #-- submits on nodes with enough free memory
#$ -l  arch=lx24-amd64             #-- SGE resources (CPU type)
#$ -l panqb3=1G,scratch=1G         #-- SGE resources (home and scratch disks)
#$ -l h_rt=24:00:00                #-- runtime limit (see above; this requests 24 hours)
  • additionally one can make use of the /scratch partition which is available on most of the nodes.
  • ZINC is visible through at /bks/raid6, so you don't have to copy db files over.