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