[gmx-users] Gromacs can't run on AIX system!

David spoel at xray.bmc.uu.se
Tue Dec 7 18:47:29 CET 2004


On Wed, 2004-12-08 at 00:46 +0800, PeiQuan Chen wrote:
> Dear gmx-users,
> 
> I have successfully compile the gromacs-3.2.1 on a cluster of AIX 4 system.
> It can run the program, for example, on the server node which I compile the code. But when I change to the compute node, 
> this following errors occur:
> 
> Could not load program ./mdrun
> Symbol _posix_getpwuid_r in csh is undefined
> Symbol _posix_getpwnam_r in csh is undefined
> Symbol __nsl_init in csh is undefined
> Error was: Exec format error
> 
does your server have another architecture than the compute nodes?
(e.g. power4 vs power3)?

> Have anybody experience this phenomenon? How I can resolve these problem?
check that you are using the correct architecture flags for gromacs AND
FOR fftw!

> Thank you  in advance.
> 
> Sincerely yours
> ----
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen, Ph.D Student, Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone:	(86)2223507510(HOME) (86)23505264 Mobile Phone: (+86)13920675030
> pqchen at mail.nankai.edu.cn
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> 
> 
> 
> 
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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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