[gmx-users] FFTW problem for Gromacs4

[Xavier Periole]

On Tue, 11 Nov 2008 14:32:32 +0530 (IST)
  Anirban Ghosh <anirbanz83 at yahoo.co.in> wrote:
> 
> 
> Hi ALL,
> 
> I am trying to install Gromacs4 on Fedora9. I have installed fftw3.1.3 with 
>the following option:
> 
> ./configure --enable-floats --enable-threads 
>--prefix=/home/anirban/Software/fftw-3.1.3
no "s" at "--enable-floats" then it should work!
> 
> Then I used the following commands to make links:
> 
> export CPPFLAGS=-I/home/anirban/Software/fftw-3.1.3/include
> export LDFLAGS=-L/home/anirban/Software/fftw-3.1.3/lib
> 
> But then when I am trying to configure Gromacs4, I am getting the following 
>error:
> 
> checking for fftw3.h... yes
> checking for main in -lfftw3f... no
> configure: error: Cannot find fftw3f library
> 
> How to rectify this problem? Any suggestion is welcome.
> 
> Regards,
> 
> 
> 
> 
> Anirban Ghosh
> M.Tech Bioinformatics
> University of Hyderabad
> 
> 
> 
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-----------------------------------------------------
XAvier Periole - PhD

- Molecular Dynamics Group -
Computation and NMR
University of Groningen
The Netherlands
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