[gmx-users] parallelization of processors on single system/node using MPI

[Szilárd Páll]

Yes, you can besides the minor command-line interface differences,
using MPI and thread-MPI works essentially the same way.

http://www.gromacs.org/Documentation/Acceleration_and_parallelization#MPI.2c.c2.a0Thread-MPI
--
Szilárd


On Thu, Nov 28, 2013 at 11:07 AM, Richa Singh
<richa.s.rathorerr at gmail.com> wrote:
> Hi all,
>
> I'm working on a single server with 2 Intel Xeon E5-2660
> processors. Each processor has 8C/16T, so total 16C/32T.
>
> I want to utilize both the processors for my simulation, thread MPI/
> multithreading doesn't work as I'm doing calculations using plumed
> patch which supports the use of only 1 thread, resulting in a very
> poor performance.
>
> Can I use MPI with GROMACS-4.6.x version on single server/machine so
> that my simulation utilizes both the processors and the performance
> gets improved?
>
> if yes, please tell how can I do that?
>
> regards
> Richa
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.