[gmx-users] Problem in energy minimization and domain decomposition

[Justin Lemkul]

On 2/18/20 3:57 PM, Sadaf Rani wrote:
> Dear Gromacs users
>
> I am getting the following message while running an energy minimization:-
>
> There is no domain decomposition for 32 ranks that is compatible with the
> given box and a minimum cell size of 1.85723 nm
> I am not using any distance restraint, and selecting box size by the
> following command :
> gmx editconf -f rescloselig.gro -o rescloseligbox.gro -bt cubic -d 1.2
>
> Can you please suggest me how should I fix it.

Use fewer processors. Your system is too small to be decomposed the way 
you have requested.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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jalemkul at vt.edu | (540) 231-3129
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