[gmx-users] FFTW.h and Gromacs Install on Powerpc64

David spoel at xray.bmc.uu.se
Sat Aug 13 08:27:19 CEST 2005

On Fri, 2005-08-12 at 15:32 -0500, Matthew Davis wrote:
> Hello,
> I'm using the CVS tree, though also have tried 3.2.1 tarball, with
> fftw 2.1.5. I build fftw both with --enable-float and without, doing a
> make distclean in between. I put them both in a directory in my home
> directory. Then I point the gromacs configure to them with $LDFLAGS
> and $CPPFLAGS, but I cannot get gromacs to find sfftw.h or fftw.h (or
> dfftw.h if I configure that way).

If fftw is installed in  /home/matt/fftw
you want
CPPFLAGS = /home/matt/fftw/include
LDFLAGS = /home/matt/fftw/lib
You also want to do
./configure --enable-type-prefix for FFTW
and to be on the safe side I always do a make distclean between building
single and double precision.

> What could I be forgetting?
> Help!
> Matt
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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

More information about the gromacs.org_gmx-users mailing list