[gmx-users] FFTW problem for Gromacs4

Anirban Ghosh anirbanz83 at yahoo.co.in
Tue Nov 11 10:02:32 CET 2008

 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

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.


Anirban Ghosh
M.Tech Bioinformatics
University of Hyderabad

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