[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 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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