Dear All, I have installed gromacs-4.5.5 on CENTOS 64 bit. I have tried following options and I was successful to install by all of following methods but every time I am getting this error when I use any command e.g. mdrun, g_analyze error while loading shared libraries: libfftw3f.so.3: cannot open shared object file: No such file or directory
try1: cd fftw-3.3.2 ./configure --enable-float --enable-sse, make, make install cd gromacs-4.5.5 ./configure --disable-shared, make, make install, make links try2: cd fftw-3.3.2 ./configure --enable-float --enable-sse --enable-shared, make, make install cd gromacs-4.5.5 ./configure (by default shared), make, make install, make links try3: cd fftw-3.3.2 ./configure --enable-float --enable-sse --with-pic, make, make install cd gromacs-4.5.5 ./configure (again by default shared), make, make install, make links In all cases I was able to install gromacs and I also: source /usr/local/gromacs/bin/GMXRC in bashrc file. In new terminal I also tried GMXRC.bash. Every time I get above said known error. As suggested in archive I tried to link the library as: ln -sf /usr/local/lib/libfftw3f.so /usr/local/lib/libfftw3f.so.3 . This is also not helping Please suggest what I am missing. thanks, Lati -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
