Re: Running namd on Apple's XGrid

From: Axel Kohlmeyer (
Date: Sun Jul 25 2010 - 07:19:56 CDT

On Sun, Jul 25, 2010 at 3:16 AM, Ido Gan <> wrote:
> Hello!
> Does anyone have experience in setting up NAMD to run with Xgrid?

no, but can you explain a little bit what you want to get out of it?

do you want to run in parallel across multiple machines, or do you
want to do "cycle stealing" with multiple serial jobs?

from the descriptions on the web, Xgrid seems to be a software
somewhere between condor and boinc. that will make it difficult
if not impossible (parallel classical MD requires tight synchronization),
and it will depend on the size of the jobs and the patience of your
users, if the second usage scenario will work out.


> Thanks,
> Ido
> --
> Ido Gan
> IT Unit
> Life Sciences Faculty
> Tel-Aviv University

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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