[Wien] parallel instalation of Wien2k: elpa, fftw

[Laurence Marks]

Dear All,

Please note that from the original email I understood that the mpi fftw
library was built. Therefore the issue has to be the values of the FFTW
variables used in siteconfig, i.e. the links to the library location & name.

Miro, please provide the contents of WIEN2k_OPTIONS in the W2k installation
directory.
_____
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, 07:09 Gavin Abo <gsabo at crimson.ua.edu> wrote:

> See that "./configure --enable-mpi" was used.
>
>
> Of note, sometimes -gcc-sys is needed:
>
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html
> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dy8jIkUP_qBwvDwgT_4MdHNXg8ukxuyH9CTnmghbRPaOW070atOdEJBkNvEokml5jP4MsQ$>
>
>
> 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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