[gmx-users] continuation

[aherz]

Hi,

yes, the trr is 7GB.

Alex

Berk Hess schrieb:
> Hi,
>
> -append yes is incorrect, it should be -append without the yes.
> In this case this error has no effect though.
>
> Is your trr file larger than 2 GB?
> We have fixed a bug with this in the upcoming 4.0.6 release.
>
> Berk
>
> > Date: Fri, 28 Aug 2009 16:48:07 +0200
> > From: alexander.herz at mytum.de
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] continuation
> >
> > Hi,
> >
> > I'm trying to continue a sim using:
> >
> > old cmd line + -cpi state.cpt -append yes
> >
> > where old cmd line =
> > mpirun -np 1 $GROMACS_T37/mdrun -s shear -c shear_final -g shear_final
> > -o shear
> >
> > All files exist.
> >
> > and I get:
> >
> > -------------------------------------------------------
> > Program mdrun, VERSION 4.0.5
> > Source code file: checkpoint.c, line: 1248
> >
> > Fatal error:
> > Truncation of file shear.trr failed.
> > -------------------------------------------------------
> >
> > What's the problem??
> >
> > Thx,
> > Alex
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