On 11/29/17 5:43 PM, MD wrote:
Hi folks,

I got a fatal error when running em.mdp. Do you think if it is the .mdp
that is causing this issue?


My command line is : gmx mdrun -v -deffnm em

The Fatal error:
"There is no domain decomposition for 40 ranks that is compatible with the
given box and a minimum cell size of 2.42098 nm. Change the number of ranks
or mdrun option -rdd"

Try Google. This error has been asked and answered a hundred times over.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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