[gmx-users] problem with energy minimization

Anushree Tripathi anushritripathi at gmail.com
Tue Jan 31 07:53:01 CET 2012


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 *Anushree Tripathi
> *Sent:* Tuesday, 31 January 2012 4:11 PM
> *To:* Discussion list for GROMACS users
> *Subject:* [gmx-users] problem with energy minimization****
>
> ** **
>
> When I run the command (i.e., mdrun -v -deffnm em) for energy
> minimization.
>
> I am getting the error:
>
> There is no domain decomposition for 4 nodes that is compatible with the
> given box and a minimum cell size of 4.07513 nm.
>
> Please guide me.****
>
> ** **
>
> Did you run it on a cluster? Or on a multiple CPUs? ****
>
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