[gmx-users] FFTW installation error: cannot compile asimpleFortran program

[Erik Lindahl]

Hi,

On Apr 20, 2006, at 12:25 PM, Ge Sunny wrote:

> Dear Florian,
>
> Thanks for your help. The installation of FFTW3 source code does  
> work by setting the prefix. Then, I have set LDFLAGS and CPPFLAGS  
> to install Gromacs from gromacs-3.3.1-1.src.rpm. However, there is  
> an error when installing Gromacs:
>
> $ rpmbuild -rebuild gromacs-3.3.1-1.src.rpm
> ... ...
> checking for fftw3.h... yes
> checking for main in -lfftw3f... no
> configure: error: Cannot find fftw3f library
> error: Bad exit status from /var/tmp/rpm-tmp.67043 (%build)
>
> RPM build errors:
>    user erikli does not exist - using root
>    group el does not exist - using root
>    user erikli does not exist - using root
>    group el does not exist - using root
>    Bad exit status from /var/tmp/rpm-tmp.67043 (%build)
>
>
> I can only find fftw3.f under ./fftw/include. Don't know what  
> fftw3f is.

The single precision FFTW3 library. You probably didn't include "-- 
enable-float". Go through the detailed instructions at

http://www.gromacs.org/installation/prerequisites.php

Cheers,

Erik