[gmx-developers] can GROMACS 3.2.1 work with fftw 3.0
David
spoel at xray.bmc.uu.se
Fri Oct 1 23:35:24 CEST 2004
On Fri, 2004-10-01 at 23:06, MailList wrote:
> Hi, all,
>
> I tried to build GROMACS 3.2.1 on an IA-64 Linux cluster. Since fftw 3.0 has
> been installed on such cluster, so I tried to use it to build GROMACS, but
> the GROMACS configure process says: cannot find sfftw.h or fftw.h, while
> actually fftw 3.0 provides fftw3.h.
> Can anyone tell me whether GROMACS 3.2.1 work with fftw 3.0?
No
>
> Actually, I tried to build fftw 2.1.3 on that cluster myself, but it says:
> "Invalid configuration `ia64-unknown-linux-gnu': machine `ia64-unknown' not
> recognized". Could anyone help me out of such problem?
Have you tried fftw-2.1.5 ? If that doesn't work try the FFTW
developers.
>
> Thanks in advance.
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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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