----- Original Message ----- From: jagannath mondal <jmondal2...@yahoo.co.in> Date: Monday, May 31, 2010 5:44 Subject: [gmx-users] fftw library problem in gromacs installation To: gmx-users@gromacs.org
Thanks for the detailed post. | > 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/fftw> make> make install> > Then for double precision> make distclean> ./configure --enable-threads > --prefix=/N/u/tg-jmondal/BigRed/UTIL/fftw> make> make 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 library> But, 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.> Yes. For some reason mpicc (which is normally a wrapper for some other compiler) is finding but not liking the libfftw3f.a. You could try installing FFTW with --enable-shared, in case your linker will only do shared libraries, or something. Alternatively, find out whether the compiler will ever link to static libraries, and if not, probably get a new compiler. The problem could also be with a broken MPI library. Talk to your system admins - this problem looks like it is not specific to GROMACS. Mark -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
