[gmx-users] Fatal error: no domain decomposition

[Justin Lemkul]

On 10/18/19 6:35 AM, Patricia Saenz Méndez wrote:
> Hi!
> I am trying to run a simple MD simulation as usual, but with this system I
> have got the same error message:
>
>
>
>
>
>
> *Fatal error:There is no domain decomposition for 160 ranks that is
> compatible with thegiven box and a minimum cell size of 1.02425 nmChange
> the number of ranks or mdrun option -rcon or -dds or your LINCSsettingsLook
> in the log file for details on the domain decomposition*

Please consult 
http://manual.gromacs.org/current/user-guide/run-time-errors.html#there-is-no-domain-decomposition-for-n-ranks-that-is-compatible-with-the-given-box-and-a-minimum-cell-size-of-x-nm

One cannot decompose any given system over any arbitrary number of 
processors.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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