[gmx-users] Installing Gromacs 4.5.3 on Mac OS X

Denny Frost dsfrost at cableone.net
Thu Oct 27 19:57:34 CEST 2011

Dear All,
I have been trying to install gromacs 4.5.3 on my imac with no success.  I
followed the "quick and dirty instructions" and downloaded openmpi-1.4.2,
fftw-3.2.2, and gromacs-4.5.3.  Unpacked them and ran ./config as explained
in the instructions.  The openmpi installation says it was successful,
though I did see that it couldn't find some files.  The fftw installation
fails with some really vague errors:

make[2]: *** [libfftw3f.la] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

Consequently, the gromacs installation fails because it can't find fftw.
 From the config.log file of the fftw installation, it looks like failures
occur when compiling confdefs.h.  Does this mean that my gcc installation is
the problem?

I have OS X 10.6.8 and have installed Xcode.  Any help would be greatly

Denzil Frost
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