[gmx-users] fftw library problem in gromacs installation

jagannath mondal jmondal2004 at yahoo.co.in
Sun May 30 21:44:10 CEST 2010

Hi ,  I am having a problem in installing gromacs-4  in a suse linux in a powerpc ibm machine. The problem is that 
1.  I first  installed fftw in the following way :for single precision./configure --enable-float --enable-threads --prefix=/N/u/tg-jmondal/BigRed/UTIL/fftwmakemake install
Then for double precisionmake distclean./configure  --enable-threads --prefix=/N/u/tg-jmondal/BigRed/UTIL/fftwmakemake install
2. It installed both of them :
3. Now, when I tried to install gromacs4
./configure --prefix=/N/u/tg-jmondal/BigRed/UTIL/gromacs_mod_4_gcc/ --enable-mpi --program-suffix=mod_4mpi CPPFLAGS=-I/N/u/tg-jmondal/BigRed/UTIL/fftw/include LDFLAGS=-L/N/u/tg-jmondal/BigRed/UTIL/fftw/lib --without-x

Here the mpi version is openmpi
I get following error:configure: error: Cannot find fftw3f libraryBut, as you may see I have specified the fftw library in configure script
So, I went inside config.log file and found the following error:
mpicc -o conftest  -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -maltivec -mabi=altivec -std=gnu99 -mcpu=7450 -mtune=970 -I/N/u/tg-jmondal/BigRed/UTIL/fftw/include -maltivec -mabi=altivec -L/N/u/tg-jmondal/BigRed/UTIL/fftw/lib  conftest.c -lfftw3f  -lm  >&5/usr/bin/ld: skipping incompatible /N/u/tg-jmondal/BigRed/UTIL/fftw/lib/libfftw3f.a when searching for -lfftw3f/usr/bin/ld: cannot find -lfftw3f

Looks like there is an incompatibility of mpicc with the fftw library and it may cause some problem. But , I do not know how to resolve this incompatibiilty.
Any help will be really appreciated .ThanksJagannath

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100531/2deb3e9b/attachment.html>

More information about the gromacs.org_gmx-users mailing list