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

[Tomek Wlodarski]

Hi guys!

Thanks for help!
I have finally manage to solve this problem.
Like Szilárd notice it was a problem with assembler.
When I installed binutils-2.23.1 (previously I had 2.20.1) it worked :)
So my combination was gcc 4.7.2 and binutils-2.23.1.
All the best!

tomek


On Sun, Feb 3, 2013 at 12:14 AM, Christoph Junghans <junghans at votca.org>wrote:

> > Date: Fri, 01 Feb 2013 19:00:02 -0500
> > From: Justin Lemkul <jalemkul at vt.edu>
> > Subject: Re: [gmx-users] Re: question about fftw3 in gromacs 4.6
> >         installation
> > To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> > Message-ID: <510C5702.5080600 at vt.edu>
> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed
> >
> >
> >
> > 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.
> >
> >> 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 superseded by what you specify manually.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.
> Justin is 100% right, -DFFTWF_{INCLUDE_DIR,LIBRARY} supersedes,
> whatever pkg-config finds before, you can see which library is used in
> the output, in your case /home/users/didymos/fftw/lib/libfftw3f.so is
> used.
>
> One can also tweak the pkg-config's detection by including
> /home/users/didymos/fftw in its search path:
> export PKG_CONFIG_PATH="$HOME/fftw/lib/pkgconfig"
> and test if it works by
> $ pkg-config --libs fftw3f
>
> (I should add this trick to the wiki as setting PKG_CONFIG_PATH helps
> to tweak the detection of fftw and gsl (when installed in same custom
> location) with one variable.)
>
> Christoph
> >
> > -Justin
> >
> > --
> > ========================================
> >
> > Justin A. Lemkul, Ph.D.
> > Research Scientist
> > Department of Biochemistry
> > Virginia Tech
> > Blacksburg, VA
> > jalemkul[at]vt.edu | (540) 231-9080
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> >
> > ========================================
> >
> >
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
> --
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