[gmx-users] Version error running mdrun

[David]

On Sat, 2005-03-19 at 18:46 +0100, Jordi Camps wrote:
> Hello,
> 
> I just compiled FFTW and GROMACS from scratch on a system like:
> 	-PPC970 (G5)
> 	-Linux
> 	-MPICH
> 	-GM (Myrinet)
> 	-IBM compilers
> 
> Now I'm trying to run gmxdemo and the benchmarcks but keep obtaining a very
> strange complaint bout the version of the files used. Mdrun say that the
> *.tpr files are of a version of gromacs older than 2.0, but I just generated
> this files with my own compiled version of grompp V.3.2.1. And if I execute
> a "strings topol.tpr | head -1" I get the next string: "VERSION 3.2.1". It
> seems that the file has the correct extension.

Very weird. Try using a tpb file. (grompp -o file.tpb)

I suspect a problem in compilation however. What optimization did you
use? Maybe lwoer optimzation would help

Please report back to the list.
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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