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

[Mark Abraham]

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"

 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 but this is superseded by what you specify manually.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.

Mark