[gmx-users] tpr older version message

Mark Abraham Mark.Abraham at anu.edu.au
Sun Dec 27 05:57:44 CET 2009

Jack Shultz wrote:
> I preped this ligand using acpypi followed by grompp
> grompp -f em.mdp -c ligand_GMX.gro -p ligand_GMX.top
> I tested this .tpr file on my server. WheI had another computer run it
> I get the following message. However we are using the same versions of
> gromacs.
> Back Off! I just backed up md.log to ./#md.log.2#
> -------------------------------------------------------
> Program mdrun, VERSION 4.0.5
> Source code file: tpxio.c, line: 1643
> Fatal error:
> Can not read file topol.tpr,
>              this file is from a Gromacs version which is older than 2.0
>              Make a new one with grompp or use a gro or pdb file, if possible
> -------------------------------------------------------

I'd say it's evident that if the file is not corrupted (use gmxcheck), 
the GROMACS installations weren't the same (unmodified) version. 
Reproduce the conditions and run grompp -h to inspect the version.

Perhaps you are having a problem with a shared-library mismatch.

If you have such an old version of GROMACS around, either uninstall it 
and retire the sysadmin, or send the computer to a museum :-)


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