[gmx-users] Fatal error : Domain Decomposition

Mark Abraham mark.j.abraham at gmail.com
Mon Sep 11 09:50:25 CEST 2017


There is a URL in the error message that gives us you some suggestions, but
the primary one is in the message: use fewer nodes. A small simulation
cannot be usefully parallelised over large amounts of hardware.


On Mon, 11 Sep 2017 08:47 Juriti Rajbangshi <raj.juriti13 at gmail.com> wrote:

> Hi,
>          I have found an error when running simulation of an ionic liquid
> using 256 nodes.
>          So, how can I change the mdrun options  to run the simulation in
> higher nodes?
> Fatal error:
> There is no domain decomposition for 192 nodes that is compatible with the
> given box and a minimum cell size of 0.955625 nm
> Change the number of nodes or mdrun option -rcon or -dds or your LINCS
> settings
> Thank You.
> Regards
> Juriti Rajbangshi
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