[Wien] parallel instalation of Wien2k: elpa, fftw

[Laurence Marks]

First, there are 3 parallel modes: K-points, omp & mpi which can be
combined.

Second, mpi requires scalapack, often via mkl. Elpa is better than the
scalapack codes. It is not required for mpi. Fftw is useful but less
important.

Lastly, while the siteconfig tools tries to find your fftw etc it is not
perfect and the user has to check. Obviously it has failed in your case and
the correct search path has not been used. Try again, and be careful.

_____
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 Sun, Sep 13, 2020, 03:53 Ilias Miroslav, doc. RNDr., PhD. <
miroslav.ilias at umb.sk> 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
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTiQqc8bdw$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTjwi2MggQ$
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200913/a9c40f97/attachment.htm>