[gmx-users] mdrun error

[Lovika Moudgil]

Thanks for quick reply Mark...what information you are asking for?Should I
search for this my .mdp file??

Thanks
 Lovika


On Sat, May 17, 2014 at 11:35 AM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Your simulation seems too small to parallelize in the way you/mdrun tried.
> But we need more information to be sure.
>
> Mark
> On May 17, 2014 7:33 AM, "Lovika Moudgil" <lovikamoudgil at gmail.com> wrote:
>
> > Hi Everyone ....
> > I need some help. With my mdrun command I am getting this following error
> >  .
> >
> > Program mdrun, VERSION 4.6.5
> > Source code file:
> > /home/itlab/Documents/gromacs/gromacs-4.6.5/src/mdlib/domdec_con.c, line:
> > 722
> >
> > Fatal error:
> > DD cell 0 0 1 could only obtain 1 of the 2 atoms that are connected via
> > constraints from the neighboring cells. This probably means your
> constraint
> > lengths are too long compared to the domain decomposition cell size.
> > Decrease the number of domain decomposition grid cells or lincs-order.
> > For more information and tips for troubleshooting, please check the
> GROMACS
> > website at http://www.gromacs.org/Documentation/Errors
> > -------------------------------------------------------
> >
> > Please help me to understand this error.What this error is all about ?
> > Where should I search to resolve this error ?
> >
> > Thanks
> > Lovika
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