[gmx-users] REMD problems

[Diego Nolasco]

Thank you very much Marcus and Berk, it's running!!!

2008/6/6, Marcus Kubitzki <mkubitz at gwdg.de>:
>
> Hi Diego,
>
> during initialization of an REMD run, GMX checks if certain
> properties are equal among replicas. If not, this incompatibility
> errors occurs. Check the log files, for there is written what
> is not identical in one of your replicas. Look for
> "XXX is not equal for all subsystems"
>
> Marcus
>
>
> Diego Nolasco wrote:
> > Dear gmx-users,
> >
> > I am facing some problems with replica exchange.
> > Few seconds after the job submission it ends with the error below:
> >
> > "
> > Error on node 0, will try to stop all the nodes
> > Halting parallel program mdrun on CPU 0 out of 8
> >
> > -------------------------------------------------------
> > Program mdrun, VERSION 3.3.3
> > Source code file: main.c, line: 177
> >
> > Fatal error:
> > The 8 subsystems are not compatible
> > "
> >
> > I am using a single topology for all configurations, but it still
> > doesn't work.
> > Does anyone have any tip over this problem?
> >
> > Thanks in advance,
> > Diego.
> >
> >
> >
>
> > ------------------------------------------------------------------------
> >
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> --
> Dr. Marcus Kubitzki
> Max Planck Institute for Biophysical Chemistry
> Computational Biomolecular Dynamics Group
> Am Fassberg 11
> D-37077 Göttingen
> Germany
> phone: ++49-551-2012312
> fax: ++49-551-2012302
> Email: mkubitz[at]gwdg.de
> www: http://www.mpibpc.mpg.de/groups/de_groot/
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