[gmx-users] PME node

Justin A. Lemkul jalemkul at vt.edu
Thu Dec 31 13:11:46 CET 2009

Vitaly V. Chaban wrote:
> Hi,
> What conditions could cause the following error?
> =====
> Fatal error:
> 2 particles communicated to PME node 7 are more than a cell length out 
> of the domain decomposition cell of their charge group   
> =====

Please check the wiki for such things, many errors are explained there:


> With the same system, sometimes is appears, but sometimes everything 
> goes smoothly (starting from the same start point).

Sounds like there is something unstable about the system, such that you're 
seeing sporadic crashes.


> -- 
> Vitaly V. Chaban, Ph.D.
> http://www-rmn.univer.kharkov.ua/chaban.html


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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