[Wien] parallel instalation of Wien2k: elpa, fftw

[Laurence Marks]

Linkers will by default (99.99% confidence) add ".so" to a name for
dynamic; if that is not present they will add ".a". Hence use of -lfftw3
will pickup libfftw3.so or libfftw3.a.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Mon, Sep 14, 2020, 07:26 Pavel Ondračka <pavel.ondracka at email.cz> wrote:

> On Mon, 2020-09-14 at 06:08 -0600, Gavin Abo wrote:
> > See that "./configure --enable-mpi" was used.
> >
> > Of note, sometimes -gcc-sys is needed:
> >
> >
> https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!E4g1pwAyAnEalyTRgC-3W-G9PjrnjQyeQ2rogzXFW466AhffGupbkMeeLTiuuS6IFBptXQ$
>
> Out of interest I went through the link and I don't see how the linker
> can find/use the FFTW libraries. The FFTW_LIBS and FFTW_PLIBS clearly
> specify to link with the dynamic libraries:
>   FFTW_OPT               : -DFFTW3 -I/home/username/fftw3/include
>   FFTW_LIBS              : -L/home/username/fftw3/lib -lfftw3
>   FFTW_PLIBS             : -lfftw3_mpi
>
> however the directory with FFTW contains only the static libraries:
>
> /home/username/fftw3/lib:
> total 2108
> drwxr-xr-x 3 username username    4096 May 27 22:57 cmake
> -rw-r--r-- 1 username username 1933432 May 27 22:57 libfftw3.a
> -rwxr-xr-x 1 username username     893 May 27 22:57 libfftw3.la
> -rw-r--r-- 1 username username  201232 May 27 22:57 libfftw3_mpi.a
> -rwxr-xr-x 1 username username     939 May 27 22:57 libfftw3_mpi.la
> drwxr-xr-x 2 username username    4096 May 27 22:57 pkgconfig
>
> IMO this could work only under two lucky circumstances:
> either one has another libfftw3.so and libfftw3_mpi.so somewhere in the
> system path
> or it in fact doesn't link with the FFTW libs
> in /home/username/fftw3/lib but with the FFTW-compatible interface
> inside the MKL
>
> > On 9/13/2020 2:53 AM, Ilias Miroslav, doc. RNDr., PhD. wrote:
> > > Hello,
> > >
> > > to profit from parallelization, one has to install ELPA and the
> > > parallel version fftw library.
> > >
> > > For fftw library I used ./configure --enable-mpi, but Wien2k
> > > installator says "!!!  WARNING:  No MPI version of the FFTW library
> > > found!" But my installed   fftw-3.3.8/lib
> > > contains  also libfftw3_mpi.a .
> > >
> > > Any clues what is wrong ? Maybe it would be better to have defined
> > > environmental variables from ELPA, fftw ?
> > >
> > > Miro
> >
> >
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