[gmx-users] mdrun error

[Mark Abraham]

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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