From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Mar 03 2010 - 13:15:11 CST
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:
http://www.nics.tennessee.edu/computing-resources/kraken/running-jobs
Giacomo
---- ----
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
mail: giacomo.fiorin_at_gmail.com
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On Wed, Mar 3, 2010 at 10:14 AM, Zumot, Elia Nabil <enz1_at_pitt.edu> wrote:
> Hi,
>
> Could anybody send me an example job script for running NAMD on XT5 Kraken
> on teragrid?
>
> Thanks in advance
>
> Elia
>
> 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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