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The configuration script complains about FFTW - how do I install it? |
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Friday, 09 September 2005 |
FFTW uses the same type of automatic configuration scripts as GROMACS, so it's easy to configure and compile. The default setup places libraries under /usr/local, but you can change it with --prefix. One important difference is that GROMACS normally is compiled in single precision, while FFTW defaults to double precision. Configure and install FFTW with the command:
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./configure --enable-float
make
make install |
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If you want to compile GROMACS with parallel MPI support you should also add --enable-mpi to the FFTW configuration. Once the installation is ready we recommend that you also install a double-precision version of FFTW (nice to have) with:
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make distclean
./configure
make
make install |
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That's it. Consult www.fftw.org if you have any problems.
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