[gmx-users] new installation

David spoel at xray.bmc.uu.se
Sun Jun 22 17:06:01 CEST 2003

On Mon, 2003-06-23 at 02:45, Kay Gottschalk wrote:
> Hi there,
> I just installed gromacs on a new G4 with Mac os X. First I installed 
> fftw-3.0 with --enable-mpi and --enable-float (seemed to work, at least 
> there were no complains), and then I tried to install Gromacs with 
> --enable-mpi. It complained that it didn't find fftw_mpi.h and 
> rfftw_mpi.h. Any ideas? As a 'workaround' I did 'ln -s fftw.h 
> fftw_mpi.h'. Gromacs seems to work, but did I commit an unforgivable 
> sin? I don't know why the fftw_mpi libraries apparently were not 
> installed in the first place.
fftw 3.0 is not supported yet, the API has changed. Erik has updated the
gromacs code to take advantage of it, but it is hasn't been released

Please downgrade your fftw to 2.1.5
> Thanks, Kay.
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Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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