[gmx-users] libfftw3f.so.3 error known but not able to solve

gromacs query gromacsquery at gmail.com
Sun Nov 4 18:01:01 CET 2012


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



More information about the gromacs.org_gmx-users mailing list