Northwest Indiana Computational Grid

NWICG User Guides

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Running VASP at Purdue West Lafayette

You may currently run VASP at Purdue West Lafayette via gatekeeper.purdue.nwicgrid.org. The path to VASP is “/opt/vasp/bin/vasp” and you will also need to preload your environment via “module load vasp”.

Here is a simple example of a Condor-G script for invoking VASP:

executable = /opt/vasp/bin/vasp
transfer_executable = false
globusscheduler = gatekeeper.purdue.nwicgrid.org/jobmanager-pbs
universe = globus
output = vasp.out
log = vasp.log
queue

For more details and examples on how to issue jobs via Condor-G or Globus is available on this site here.

Last modified: September 5, 2007 9:28am EDT

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