[gmx-users] Fatal error: domain decomposition

Justin Lemkul jalemkul at vt.edu
Sat Sep 9 15:34:06 CEST 2017

On 9/9/17 7:15 AM, Tamisra Pal wrote:
> HI,
> I got a fatal error which running an Ionic liquid simulation under NPT
> ensemble.
> What does this error mean and how can I resolve it?
> Fatal error:
> There is no domain decomposition for 20 nodes that is compatible with the
> given box and a minimum cell size of 1.5975 nm
> Change the number of nodes or mdrun option -rcon or -dds or your LINCS
> settings
> Look in the log file for details on the domain decomposition

Your system is too small to divide over that many nodes.



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

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

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


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