[gmx-users] Re: Gromacs can't run on AIX system!
David van der Spoel
spoel at xray.bmc.uu.se
Wed Dec 8 08:57:47 CET 2004
On Wed, 2004-12-08 at 12:41 +0800, PeiQuan Chen wrote:
> Dear gmx-users，
> Thank you for david responce.
> > 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)?
> Yes. The server is 200MhzPowerPC3 CPU, the compute nodes are 333MhzPowerPC604e.
> And the AIX system on server is AIX server2 3 4 00001946E800, the compute nodes are AIX warrior1 2 4 0034ADF9E200.
> And I can only compile gromacs on the server node, because the compute nodes haven't the gcc compile.
> Do you think that I can compile gromacs on the server and run the program on the compute node?
> >check that you are using the correct architecture flags for gromacs AND
> >FOR fftw!
> Could you tell me which correct architecture flags I should use in this suitations?
the one appropriate for your compute nodes. check the compiler manual
don't you have IBM compilers?
> 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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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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