[gmx-users] REMD:subsystems are not compatible.

[Mark Abraham]

Depends what's in the _prev files.

The original problem might be http://redmine.gromacs.org/issues/801, in
which case you should try 4.5.6


On Fri, May 24, 2013 at 1:01 PM, suhani nagpal <suhani.nagpal at gmail.com>wrote:

> Hello Mark
>
> Thanks for the suggestions.
>
> I used gmxcheck on my _prev.cpt files, they all show last time step - 7.3
> ns
>
> but when I resume remd with _prev.cpt files , it's starting from 0 ps.
>
> Did i miss something ?
>
>
> On Fri, May 24, 2013 at 3:37 PM, Mark Abraham <mark.j.abraham at gmail.com
> >wrote:
>
> > Probably your set of state_.cpt files is mutually inconsistent after some
> > crash, because some files were written and some were not. Use gmxcheck to
> > find out the times. The good news is that the _prev.cpt files will allow
> > you to construct a self-consistent set.
> >
> > Mark
> >
> >
> > On Fri, May 24, 2013 at 11:36 AM, suhani nagpal <suhani.nagpal at gmail.com
> > >wrote:
> >
> > > Greetings
> > >
> > > I'm running REMD with 96 replicas.
> > > It has run till 7.3 ns after extending it once using
> > >
> > > mdrun_mpi -s md_.tpr -multi 96 -replex 2000 -cpi state_.cpt -noappend
> > >
> > >
> > > And if i put to restart this again it shows the error:
> > >
> > > -------------------------------------------------------
> > > Program mdrun_mpi, VERSION 4.5.5
> > > Source code file: main.c, line: 249
> > >
> > > Fatal error:
> > > The 96 subsystems are not compatible.
> > >
> > >
> > > Kindly assist me regarding this.
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > > Suhani
> > > SRF
> > > CSIR-IGIB, India
> > > --
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