[gmx-users] fftw and configure in 4.0.7 vs 4.5.1

Fabio Affinito f.affinito at cineca.it
Thu Sep 23 10:45:50 CEST 2010

Hi everybody,
I'm experiencing several problems by running configure in 4.5.1. More
specifically, it seems it doesn't find fftw libraries.
It seems strange 'cause the same options used in 4.0.7 work fine.
These are my configure flags:

./configure --prefix=/bgp/userinternal/cin0644a/gromacs \
             --enable-ppc-sqrt \
             --disable-ppc-altivec \
             --with-fft=fftw3 \
             --without-x \
             --enable-shared \
             CFLAGS="-O3 -qarch=auto -qtune=auto" \
             CC="xlc_r -q64" \
             CXX="xlC_r -q64" \
             CXXFLAGS="-O3 -qarch=auto -qtune=auto" \
             CPPFLAGS="-I/bgp/userinternal/cin0644a/fftwlibs/include" \
             F77="xlf_r -q64" \
             FFLAGS="-O3 -qnoprefetch -qarch=auto -qtune=auto" \

This is my error in 4.5.1
checking for sqrt in -lm... yes
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library

Whilst in 4.0.7 everything works.

Any hints?

Thanks in advance,


Fabio Affinito, PhD
InterUniversity Computer Center
Via Magnanelli, 6/3
Casalecchio di Reno (Bologna) ITALY
+39/051/6171794 (Phone)
e-mail: f.affinito at cineca.it

More information about the gromacs.org_gmx-users mailing list