[gmx-users] Configuration on an IBM power computer
David van der Spoel
spoel at xray.bmc.uu.se
Mon Aug 28 19:45:03 CEST 2006
Volker Knecht wrote:
> Dear all,
>
> I have a problem with the configuration of gmx3.3 on an IBM power
> computer which was reported in here in the mailing list previously by
> Xie Yinghong. When trying to configure a parallel version of gmx on an
> IBM power computer with operating system AIX, I recieve the error
>
> "cannot compute sizeof (int)".
>
> I have contacted Xie Yinghong who told me that this problem only occurs
> with the parallel and not with the sequential version. He could not
> solve the problem, but, rather, uses gmx3.2 now for which the problem
> does not occur. This is, however, no option for me, as I want to use a
> feature not implemented in gmx3.2 yet.
>
> Does anyone have any idea how to solve this problem?
>
> Your help would be greatly appreciated.
>
> Kind regards,
> Volker
>
Since you're at a Max Planck address I'd suggest you contact the staff
at the Rechenzentrum in Garching, they have been involved in some
GROMACS developments as well and they know the machine.
--
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://folding.bmc.uu.se
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