[gmx-users] installation of gromacs

Thomas Koller koller-thomas at gmx.de
Mon Mar 14 13:05:56 CET 2011


I want to install Gromacs 4.5.3 in my computer. Therefore I downloaded fftw 3.2.2 and did as in the instructions:

./configure --enable-float
make install

After that I ran:


with Gromacs, but I always get:

checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3).
Other alternatives are 'fftw2', or 'mkl' for Intel MKL.
You are STRONGLY recommended to use one of these - fftw is free.

make is not working after this:

make: *** No targets specified and no makefile found.  Stop.

What is going wrong?

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