[gmx-developers] Possible problems with findFFTW

Alexey Shvetsov alexxy at omrb.pnpi.spb.ru
Wed Dec 5 03:56:47 CET 2012


Krzysztof Mlynarczyk писал 04-12-2012 22:37:
> I see you are using Gentoo. This weekend there were updates to
> autotools-utils.eclass and cmake-utils.eclass that broke
> AUTOTOOL_BUILD_DIR and CMAKE_BUILD_DIR. If you ran emerge fftw:3.0
> during that time, you may only have one version of fftw installed 
> (the
> one that was built at the end since they were all using the same
> working directory) and hence only one *.pc file set is present.
>  Today all ebuilds work, but still will have to be updated to use
> BUILD_DIR instead of AUTOTOOL_BUILD_DIR and CMAKE_BUILD_DIR. Please
> check https://bugs.gentoo.org/show_bug.cgi?id=445800 [3]. emerge
> --sync && emerge fftw:3.0 -v should do the trick.
>  I spent half of the weekend fighting this issue since emerging
> ambertools failed due to undefined references to fftw functions and
> the problem was traced down to empty output of pkg-config fftw3 
> --libs
> while configuring the build.

Ohh.. I know about this change but i didnt fugured out that its brake 
fftw =\

> Best regards,
> Krzysztof Młynarczyk
>
> 2012/12/4 Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru>
>
>> Christoph Junghans писал 04-12-2012 21:34:
>>
>>> 2012/12/2 Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru>:
>>>
>>>> Hi all!
>>>>
>>>> With tag 4.6-beta1 i noticed that on 64bit multilib systems 
>>>> gromacs trying
>>>> to find 32bit versions first and only then 64bit versions thats 
>>>> why it
>>>> failes
>>>>
>>>> -- Enabling SSE4.1 Gromacs acceleration, and it will help compiler
>>>> optimization.
>>>> -- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")
>>>> -- checking for module 'fftw3f'
>>>> --   package 'fftw3f' not found
>>> Why is that fftw should have a pkg-config file. Can you run:
>>> $ pkg-config --libs fftw3f
>>
>> It didnt find it. fftw version is 3.3.3
>>
>>>> -- Looking for fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so
>>>> -- Looking for fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so - not 
>>>> found
>>>> CMake Error at cmake/FindFFTW.cmake:102 (message):
>>>>   Could not find fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so, 
>>>> take a look
>>>> at
>>>>   the error message in
>>>>
>>>> 
>>>> /var/tmp/portage/sci-chemistry/gromacs-4.6.9999/work/gromacs-4.6.9999_float/CMakeFiles/CMakeError.log
>>>>   to find out what went wrong.  If you are using a static lib (.a) 
>>>> make sure
>>>>   you have specified all dependencies of fftw3f in FFTWF_LIBRARY 
>>>> by hand
>>>>   (e.g.  -DFFTWF_LIBRARY='/path/to/libfftw3f.so;/path/to/libm.so') 
>>>> !
>>>> Call Stack (most recent call first):
>>>>   CMakeLists.txt:948 (find_package)
>>>>
>>>> I have both versions present on this system
>>>>
>>>> x201 ~ # ls -l  /usr/lib*/libfftw3f.so.3
>>>> lrwxrwxrwx 1 root root 18 May 25  2012 /usr/lib/libfftw3f.so.3 ->
>>>> libfftw3f.so.3.3.2
>>>> lrwxrwxrwx 1 root root 18 Nov  9 11:10 /usr/lib32/libfftw3f.so.3 
>>>> ->
>>>> libfftw3f.so.3.2.4
>>>> lrwxrwxrwx 1 root root 18 May 25  2012 /usr/lib64/libfftw3f.so.3 
>>>> ->
>>>> libfftw3f.so.3.3.2
>>>>
>>>> PS cmake version is 2.8.10.2
>>>>
>>>> --
>>>> Best Regards,
>>>> Alexey 'Alexxy' Shvetsov
>>>> Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
>>>> Gatchina,
>>>> Russia
>>>> Department of Molecular and Radiation Biophysics
>>>> Gentoo Team Ru
>>>> Gentoo Linux Dev
>>>> mailto:alexxyum at gmail.com
>>>> mailto:alexxy at gentoo.org
>>>> mailto:alexxy at omrb.pnpi.spb.ru
>>>> --
>>>> gmx-developers mailing list
>>>> gmx-developers at gromacs.org
>>>> http://lists.gromacs.org/mailman/listinfo/gmx-developers [1]
>>>> Please don't post (un)subscribe requests to the list. Use the www 
>>>> interface
>>>> or send it to gmx-developers-request at gromacs.org.
>>>
>>> --
>>> Christoph Junghans
>>> Web: http://www.compphys.de [2]
>>
>> --
>> Best Regards,
>> Alexey 'Alexxy' Shvetsov
>> Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
>> Gatchina, Russia
>> Department of Molecular and Radiation Biophysics
>> Gentoo Team Ru
>> Gentoo Linux Dev
>> mailto:alexxyum at gmail.com
>> mailto:alexxy at gentoo.org
>> mailto:alexxy at omrb.pnpi.spb.ru
>> --
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-developers [1]
>> Please don't post (un)subscribe requests to the list. Use the www 
>> interface or send it to gmx-developers-request at gromacs.org.
>
>
>
> Links:
> ------
> [1] http://lists.gromacs.org/mailman/listinfo/gmx-developers
> [2] http://www.compphys.de
> [3] https://bugs.gentoo.org/show_bug.cgi?id=445800

-- 
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
Gatchina, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru



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