[gmx-users] A few general questions on Gromacs

[David van der Spoel]

Martin Höfling wrote:
> Am Dienstag, 26. Juni 2007 schrieb Corina Stratan:
> 
>> I would like to thank you and David for the answers. By "multiple
>> programs", I meant batch scripts that contain other
> 
> Oh yes, we have runtime limitation of 144h on serial and 24 or 48h on the 
> large machines. I had to setup  several runs over 2 month or so.
> 
> So the submitted script was basically calling a python script, calling the 
> necessary tools to check output, and run the next step. This can be 
> cumbersome, if it comes to errorhandling (hardware failures etc.)
> 
actually most queueing systems have support for chaining jobs, but if 
your hardware fails you're out of luck of course.

> Best
> 	Martin
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++