[gmx-users] Version error running mdrun
David van der Spoel
spoel at xray.bmc.uu.se
Sun Mar 20 21:32:18 CET 2005
On Sun, 2005-03-20 at 21:13 +0100, Jordi Camps wrote:
> Hello!
>
> I gave a try to you advise to use .tpb file format, and it worked! But the
> question is: why the .tpr format is not recognized???
Does your system have a 64bit OS? There could be an incompatibility with
libraries that is only noted at run time.
The tpb file is not portable (in contrast to the tpr format), so regard
it as a workaround only.
You could also try to read a tpr file from your cluster on a PC, and
vice versa, such that we know whether the problem is in reading files,
writing them, or both.
> >
--
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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--
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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