[gmx-users] Error mesage

Mark Abraham Mark.Abraham at anu.edu.au
Fri Sep 23 19:20:14 CEST 2011

On 23/09/2011 11:18 PM, Tanos Franca wrote:
> Dear gmx users,
> Does someone know how to deal with the error mesage bellow ?
> With my best regards,
> Tanos C. C. Franca.
> Program mdrun, VERSION 4.5.4
> Source code file: domdec_con.c, line: 693
> Fatal error:
> DD cell 2 1 0 could only obtain 273 of the 275 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.

Your simulation system is probably too small for the number of 
processors you are trying to use. However we don't know anything about 
what you're trying to do, and guessing is fruitless.


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