[gmx-users] Question about building and testing on imac

Silvia Crivelli sncrivelli at ucdavis.edu
Wed Sep 22 22:03:14 CEST 2010


I built gromacs4.5.1 on my new imac (OS X 10.6.4) without problems  
using the command sequence:
./configure --enable-shared
make install

Before that, I built fftw (3.2.2) by following the following sequence:
./configure --enable-threads --enable-float
make install

However, most of the tests (./gmxtest.pl simple and ./gmxtest.pl  
complex) FAILED.

Could this be explained by the fact I'm using gcc4.2? If so, how can I  
compile with gcc4.0?
If not, what could be the problem? I've tried this a couple of times  
(using single and double precisions) and got the same FAILED messages  
in all cases.

Thanks in advance,

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