[gmx-users] run g_cover in parallel

Itamar Kass itamar.kass at gmail.com
Wed Oct 14 02:20:02 CEST 2009


This is strange, 'cause on the site under installing (using MPI) it is
written "*In GROMACS 4.x, some of the utility programs are also MPI-aware,
but these will only be for compute-intensive utilities (e.g. that
diagonalize large matrices, or calculate autocorrelations, etc.).*".
So I guess there are more parallel things then just MD.


On Wed, Oct 14, 2009 at 10:48 AM, Mark Abraham <Mark.Abraham at anu.edu.au>
> Itamar Kass wrote:
>> Hi,
>> I wonder if there a way to run g_cover in paralel in order to make
>> things run faster?
> No. Obviously you can use -dt to reduce the number of frames you analyze.
>> Also, what analysis programs can run in parallel?
> None in 4.0.x. Not sure about future plans.
> Matk
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.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
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091014/afce039c/attachment.html>

More information about the gromacs.org_gmx-users mailing list