From: Chris Harrison (charris5_at_gmail.com)
Date: Wed Mar 17 2010 - 00:54:50 CDT
Elia,
Look in:
/nics/c/home/char/pub/bin/runbatch
AND for namd 2.7b2 look in:
/nics/c/home/char/pub/bin/runbatch_27b2
Chris
On Thu, Mar 11, 2010 at 5:04 PM, Zumot, Elia Nabil <enz1_at_pitt.edu> wrote:
> 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
>
> Elia
>
> ________________________________________
> From: Giacomo Fiorin [giacomo.fiorin_at_gmail.com]
> Sent: Wednesday, March 03, 2010 2:15 PM
> To: Zumot, Elia Nabil
> Cc: namd-l_at_ks.uiuc.edu
> 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:
>
> 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<mailto:giacomo.fiorin_at_gmail.com>
> ---- ----
>
>
> On Wed, Mar 3, 2010 at 10:14 AM, Zumot, Elia Nabil <enz1_at_pitt.edu<mailto:
> 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.
>
>
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078
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