[gmx-users] Re: question about fftw3 in gromacs 4.6 installation

[Tomek Wlodarski]

On Sat, Feb 2, 2013 at 12:34 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> On Sat, Feb 2, 2013 at 1:00 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
> >
> >
> > On 2/1/13 5:26 PM, didymos wrote:
> >
> >> Hi Justin!
> >>
> >> I had the same problem and I used your advise but I am not sure if this
> >> entirely worked for me...
> >>
> >> I used:
> >> cmake -DGMX_MPI=ON DCMAKE_INSTALL_PREFIX=$HOME/**gromacs
> >> -DFFTWF_INCLUDE_DIR=$HOME/**fftw/include
> >> -DFFTWF_LIBRARY=$HOME/fftw/**lib/libfftw3f.so
> -DCMAKE_PREFIX_PATH=$HOME/*
> >> *fftw/
> >> ..
> >>
> >>
> > The use of -DCMAKE_PREFIX_PATH eliminates the need for
> -DFFTWF_INCLUDE_DIR
> > and -DFFTWF_LIBRARY.  Not that this is the source of your problem, but
> you
> > can certainly trim down your command.
>
>
> Indeed. Also missing hyphen before "DCMAKE_INSTALL_PREFIX"
>

Thanks a lot Mark and Justin - I fixed it.

>
>  and I got:
> >> -- checking for module 'fftw3f'
> >> --   found fftw3f, version 3.2.2
> >> -- Looking for fftwf_plan_r2r_1d in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so
> >> -- Looking for fftwf_plan_r2r_1d in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so - found
> >> -- Looking for fftwf_have_simd_avx in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so
> >> -- Looking for fftwf_have_simd_avx in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so - not found
> >> -- Looking for fftwf_have_simd_sse2 in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so
> >> -- Looking for fftwf_have_simd_sse2 in
> >> /home/users/didymos/fftw/lib/**libfftw3f.so - found
> >>
> >> So it seems ok but I am not sure about first two lines:
> >> -- checking for module 'fftw3f'
> >> --   found fftw3f, version 3.2.2
> >> it should be 3.3.3
> >>
> >
> > Is there a different FFTW installed anywhere else on your system?  I
> > believe the first "found fftw3f" statement comes from pkgconfig
> detection,
> > but this is superseded by what you specify manually.  Perhaps someone who
> > is more familiar with this element of the build system can comment.
>
>
> Yeah the first message is CMake finding a system fftw via pkgconfig, but
> then there is further detection and the one found via pkconfig need not be
> the one used. I guess if we have the two layers of detection we need to be
> more clear about what is going on.
>


Yes, I am installing gromacs on a server and I want to use my local version
of FFTW rather than the one founded by pkgconfig.
So to make it clear for me :), which version of FFTW in the end will be
used in my case? this detected by pkgconfig or from DCMAKE_PREFIX_PATH
Thanks!

tomek


> Mark
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