[gmx-users] Could anyone precisely help me with my error

Justin Lemkul jalemkul at vt.edu
Tue Apr 9 17:38:00 CEST 2019

On 4/9/19 11:19 AM, banijamali_fs wrote:
> Hi there,
> when I type the command
> gmx grompp -f nvt.mdp -c min.gro -p topol.top -o nvt.tpr
> and in continuation, this command:
> gmx mdrun -v -deffnm nvt
> I get this error:
> There is no domain decomposition for 24 ranks that is compatible with
> the
> given box and a minimum cell size of 3.33469 nm
> Change the number of ranks or mdrun option -rdd or -dds
> Look in the log file for details on the domain decomposition
> Could anyone precisely explain me what should I do? and explain me about
> the numbers and the abbreviations that have mentioned in this error, I
> don't understand anymore from this error.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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