Dear Sir/Madam,
Follow the steps below, I have installed fftw library and gromacs as a root.
(1) tar -xzvf fftw-3.0.1.tar.gz(2) cd fftw-3.0.1(3) ./configure --enable-float
--enable-threads --enable-shared(4) make(5) make install(6) tar -xzvf
gromacs-4.5.5.tar.gz(7) cd gromacs-4.5.5(8) ./configure(9) make(10) make
install(11) I have also add "PATH=/usr/local/gromacs:$PATH; export PATH" to my
.bashrc file in my directory.
However, I have problem to do the following comments:
/usr/local/gromacs/bin/g_covar -s test.pdb -f test.netcdf -o -v
The follow error message appears:
/usr/local/gromacs/bin/g_covar: error while loading shared libraries:
libfftw3f.so.3: cannot open shared object file: No such file or directory
I found the following libraries in my /usr/local/lib directory:
libfftw3f.a libfftw3f.so.3.0.1 libfftw3f_threads.so.3
libfftw3f.la libfftw3f_threads.a libfftw3f_threads.so.3.0.1libfftw3f.so
libfftw3f_threads.la pkgconfiglibfftw3f.so.3 libfftw3f_threads.so
Thus, it seems to me that libfftw3f.so.3 is already installed, whats' wrong
with this? Could you mind to help.
Best regards,
Catherine
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