[gmx-users] configuration error

Cherry Y. Yates yappik4050 at yahoo.com
Tue Dec 26 23:38:15 CET 2006


Thanks for your suggestions. I did all you guys said, but still got the same configuration error. Very frustrated. And the gromacs.org website is unreachable since Friday:

Fatal error:  main() [function.require]: Failed opening required '/includes/version.php' (include_path='.:/usr/share/pear') in /data/gmx/www-gmx/includes/joomla.php on line 71

So I cannot access the mailing archive.......

Helps needed!

Cherry

Michael John Hanby <mhanby at uab.edu> wrote: Also, verify you compile gromacs with the same compiler used for FFTW.
If you've already done that, you might try setting

export LD_LIBRARY_PATH=$FFTWINSTALL/lib:$LD_LIBRARY_PATH

And add the $FFTWINSTALL/include and lib to your CPPFLAGS and LDFLAGS
etc...

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of David van der Spoel
Sent: Tuesday, December 26, 2006 9:10 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] configuration error

Cherry Y. Yates wrote:
> Dear gromacs developlers,
> 
> When I tried to parallelize GROMACS with intel
> fortran/C compiler on a Athlon cluster, I met this
> kind of error:
> 
> $ ./configure --enable-mpi
> .........
> checking size of int... configure: error: cannot
> compute sizeof (int), 77
> 
> What is wrong? Needs help!
> Thanks,
> 
> Cherry 
> 
> 
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check archives. you probably need to upgrade the fftw libraries.

-- 
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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