[gmx-users] Parallel run on a Quad Core

[Chitrita Dutta Roy]

But i can visually see that only one of my cores is running to 100% but i
want 4 of them to work simultaneously giving me a guranteed 6-8 Gflops
whereas right now i am just getting 2 .How can i achieve that...???

On Sun, Dec 21, 2008 at 6:05 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Chitrita Dutta Roy wrote:
>
>> Thanks to all for helping me previously.
>> Now i am unable to arrange the .tpr file for position restraint mdrun on a
>> quad core as in version 4.0.2 grompp -np is not a valid comand can anybody
>> help me in building a tpr file for parallel run on 4 cores of a quad core
>> machine .I have installed gromacs using Open MPI Library and my files are
>> suffixed as _mpi.
>>
>
> There is no need for grompp -np in 4.0 and above, as has been discussed
> several times on this list.  Then execute mdrun as usual.
>
> -Justin
>
>
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> 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
>>
>
> --
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
> _______________________________________________
> 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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081221/e8f5a57d/attachment.html>