[gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm

[Trayder Thomas]

Assuming you're using LINCS, from the manual:
"With domain decomposition, the cell size is limited by the distance
spanned by *lincs-order*+1 constraints."
Assuming a default lincs-order (4), 0.82nm seems a fairly sane distance for
5 bonds.

Which means that you're probably using too many nodes for the size of your
system.

Hope that helps. If it doesn't you'll need to provide some information
about your system.

-Trayder



On Thu, Oct 17, 2013 at 1:27 PM, Nilesh Dhumal <ndhumal at andrew.cmu.edu>wrote:

> Hello,
>
> I am getting the following error for simulation. I am using Gromacs
> VERSION 4.5.5 and running on 24 processors.
>
> Should I reduce the number of processor or the problem is in bonded
> parameters. If I use -nt 1 option. I could run the simulation.
>
> Fatal error:
> There is no domain decomposition for 16 nodes that is compatible with the
> given box and a minimum cell size of 0.826223 nm
> Change the number of nodes or mdrun option -rdd or -dds
> Look in the log file for details on the domain decomposition
>
>
> Nilesh
>
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