[gmx-users] problem with energy minimization

[Tsjerk Wassenaar]

Hi Anushree,

You're not using a single cpu, although you probably think you do. Is this
em in vacuum or just a small system? Either way, you can enforce running on
a single cpu by adding '-nt 1' to the mdrun options.

Cheers,

Tsjerk

On Jan 31, 2012 7:53 AM, "Anushree Tripathi" <anushritripathi at gmail.com>
wrote:

I am using single CPU for this simulation.

On Tue, Jan 31, 2012 at 11:09 AM, Emanuel Birru <Emanuel.Birru at monash.edu>
wrote:

> > >   > > From: gmx-users-bounces at gromacs.org [mailto:
> gmx-users-bounces at gromacs.org] On Behalf Of An...
> --
> 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/Support/Mailing_Lists/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/Support/Mailing_Lists
>


--
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/Support/Mailing_Lists/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/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120131/f296ddeb/attachment.html>