[gmx-users] Domain decomposition error with -rerun

[Sahithya S Iyer]

Hi,

Thanks for the reply. I am only doing a rerun of a trajectory that has
already evolved without any dynamic load balancing problems.
-rerun only recalculates energies right. I don't understand why the same
trajectory is giving decomposition error now.

On Sat, Apr 28, 2018 at 12:11 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
wrote:

> Hi.
>
> That indicates a  problem with dynamic load balancing. Try to build
> different sizes of the box.
>
> On Sat, Apr 28, 2018 at 11:57 AM, Sahithya S Iyer <sah2714 at gmail.com>
> wrote:
>
> > Hi,
> >
> > I am trying to calculate interaction between specific residues using gmx
> > mdrun -rerun flag. The trajectory was in a dcd format, which I converted
> to
> > a trr file. I get the following error -
> >
> > Domain decomposition has not been implemented for box vectors that have
> > non-zero components in directions that do not use domain decomposition:
> > ncells
> > = 1 8 1, box vector[2] = 0.000000 10.536000 0.000000
> >
> > Can someone please tell me what could be going wrong here ?
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>
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
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