[gmx-users] continuation

[Berk Hess]

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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