From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed Oct 19 2005 - 17:42:20 CDT
Hi,
There's a short script at the bottom of
http://www.ks.uiuc.edu/Training/Workshop/Cluster/files/using_rocks.html
I just added it to the top of:
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdOnGridEngine
There are some more complicated examples further down the page.
-Jim
On Wed, 19 Oct 2005, Mauricio Carrillo Tripp wrote:
> Hi,
>
> could anybody tell me how to submit a job on a cluster
> with SGE to run a parallel NAMD simulation?
>
> Is there a need to set up/configure a PE (Parallel Environment)
> for charm++ (charmrun) in order for it to work?
>
> [>qconf -spl] only reports:
> make
> mpich
> mpi
>
> Examples of a shell script and the way to submit the job
> from the command line will be MUCH appreciated. Thanks!!
>
> --
>
> Mauricio Carrillo Tripp, PhD
> Department of Chemistry
> Wabash College
> trippm_at_wabash.edu
> http://trippm.bajacast.com/
>
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