[gmx-users] PME node

[Justin A. Lemkul]

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:

http://www.gromacs.org/Documentation/Errors#X_particles_communicated_to_PME_node_Y_are_more_than_a_cell_length_out_of_the_domain_decomposition_cell_of_their_charge_group

> 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.

-Justin

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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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