RE: job script for Kraken

From: Zumot, Elia Nabil (
Date: Thu Mar 11 2010 - 16:04:56 CST

Hi Giacomo,

I'd really appreciate it if you could still send me an example file.
It would help me a lot since I haven't been able to find sufficiently clear descriptions on this matter on NICS website.

Thank you


From: Giacomo Fiorin []
Sent: Wednesday, March 03, 2010 2:15 PM
To: Zumot, Elia Nabil
Subject: Re: namd-l: job script for Kraken

Hi Elia, there aren't any special issues to take care of ("aprun -n $PBS_NODES /xxx/yyy/namd2" will work). But there is something to know about its filesystem:


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Giacomo Fiorin
  ICMS - Institute for Computational Molecular Science
    Temple University
    1900 N 12 th Street, Philadelphia, PA 19122
work phone: (+1)-215-204-4216
mobile: (+1)-267-324-7676
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On Wed, Mar 3, 2010 at 10:14 AM, Zumot, Elia Nabil <<>> wrote:

Could anybody send me an example job script for running NAMD on XT5 Kraken on teragrid?

Thanks in advance


P.S. I could not find the /nics/d/home/jphillip/NAMD_scripts/runbatch/ directory proposed in another thread on the same issue.

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