[Wien] parallel instalation of Wien2k: elpa, fftw

[Gavin Abo]

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


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200914/79e65821/attachment.htm>