[Wien] parallel instalation of Wien2k: elpa, fftw

[Pavel Ondračka]

OK, thanks for the explanation, I was not aware of this, therefore
please ignore my previous emails, as they are completely wrong. Sorry
for misleading the original poster.

Best regards
Pavel

On Mon, 2020-09-14 at 07:30 -0500, Laurence Marks wrote:
> 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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