[gmx-developers] git gromacs and -dlb

[hess at sbc.su.se]

Hi,

But does dlb get turned on at some point without -dlb?

Berk

> Hi,
>
> there appears to be an issue with the -dlb flag when turned on
> from the very beginning in mdrun. For at least two different
> MD systems (incl. dppc with PME) I get errors like
>
> Fatal error:
> 248 particles communicated to PME node 3 are more than 2/3 times the
> cut-off out of the domain decomposition cell of their charge group in
> dimension y.
>
> when started with
> mpirun -np 4 mdrun -s ../tpr/ap_1ps.tpr -dlb yes.
>
> With -dlb no everything works fine.
>
> Carsten
>
> --
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.
>