[gmx-users] MDrun append...
lloyd.riggs at gmx.ch
Fri Mar 2 13:06:34 CET 2012
Since the latest version, I have to use -noappend and then just concantenate them when they are finished. I gave up as no mater how many paths to files, listening to the error messages, I supplied to the mdrun it still complained. Dont know if this is a personalized bug or more general, but figured the former and was not such a big deal, so never wrote here.
-------- Original-Nachricht --------
> Datum: Fri, 02 Mar 2012 17:31:49 +1100
> Von: Mark Abraham <Mark.Abraham at anu.edu.au>
> An: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Betreff: Re: [gmx-users] MDrun append...
> On 2/03/2012 3:59 PM, rama david wrote:
> > Dear GROMACS Friends,
> > my MD run get crashed , I foollow following command ..
> > mdrun -s protein_md.tpr -c protein_md.trr -e protein_md.edr -g
> > protein_md.log -cpi -append -v
> > the system respond in a way..
> > Fatal error:
> > The original run wrote a file called 'traj.trr' which is larger than 2
> > GB, but mdrun did not support large file offsets. Can not append. Run
> > mdrun with -noappend
> > What to do ???
> Update whichever of your filesystem or mdrun is outdated, or use
> -noappend and resign yourself to concatenation after the simulation
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