[gmx-users] queue up simulations

David van der Spoel spoel at xray.bmc.uu.se
Fri Oct 26 08:19:16 CEST 2007


sarbani chattopadhyay wrote:
>   hi,
> 
>     I want to know is there any way to 'queue up mdrun jobs' so that 
> once one job is
> finished, the next starts automaticaly?
>  
yes. check the docs for your queueing system. e.g. Torque, or Gridengine.

> Thanks in advance.
>                                                                         
>                           Sarbani
> 
> 
> 
> Naukri 
> <http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198@Middle5/1503566_1496716/1502982/1?PARTNER=3&OAS_QUERY=null 
> target=new >
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se



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