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
ICMS - Institute for Computational Molecular Science
1900 N 12 th Street, Philadelphia, PA 19122
work phone: (+1)-215-204-4216
On Wed, Mar 3, 2010 at 10:14 AM, Zumot, Elia Nabil <enz1_at_pitt.edu> 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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