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

Denny Frost dsfrost at cableone.net
Fri Oct 28 01:50:34 CEST 2011


I've got configure working fine now.  When I execute make -j $NCPU, I get
"./libtool: line 947: cd: .libs/libfftw3f.laz/libkernel.a: no such file or
directory:"  It looks for that file twice and cannot find it.  What is it?

On Thu, Oct 27, 2011 at 4:11 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

>  On 28/10/2011 4:57 AM, Denny Frost wrote:
>
> 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
>
>
> These are not errors. The actual error is further up.
>
>
>  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?
>
>
> You need configure to have run correctly before make is worth trying.
>
> Mark
>
>
>
>  I have OS X 10.6.8 and have installed Xcode.  Any help would be greatly
> appreciated.
>
>  Denzil Frost
>
>
>
>
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