[gmx-users] fftw and gromacs..
Mark.Abraham at anu.edu.au
Wed Oct 11 15:50:52 CEST 2006
Brian O'Brien wrote:
> Hi... I read the FAQ on using gromacs with FFTW...
> I set the LD_LIBRARY_PATH, yet when trying to make gromacs, at the ./
> configure point, it still complains about not being able to find fftw
> configure: error: Cannot find fftw3f library
> ls /usr/local/lib/*fftw*
> /usr/local/lib/libfftw.a /usr/local/lib/libfftw.la /usr/local/lib/
> libfftw3.a /usr/local/lib/libfftw3.la /usr/local/lib/librfftw.a /
You need a single-precision fftw library - the 'f' suffix is for 'float'.
> I made and installed fftw by:
> sudo make install
> I have read something about setting flags for fftw but do not know
> where to modify these flags...
Try reading the gromacs installation pages on the website - the fftw
section in the prerequisites tells you how to prevent this problem...
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