[Wien] Parallel computation.

[Peter Blaha]

You just specify the fftw3 libname, which is just "fftw3" (not libfftw3.a).
The parallel fftw libraries will automatically use   "fftw3_mpi" in the 
Makefile.

Regards

Am 05.12.2025 um 12:26 schrieb pradeep sharma:
> Hello,
> I am trying to configure my Wien2k calculations in parallel. Although 
> the calculations are running smoothly in serial mode, however upon 
> trying to do configure WIEN2k for parallel process Wien2k is unable to 
> locate the parallel FFTW-mpi libraries.
> 
> "(base) prad at Pradpc:/opt/fftw-3.3.10/lib$ ls
> cmake        libfftw3_mpi.a libfftw3_omp.la <http://libfftw3_omp.la>     
>   pkgconfig
> libfftw3.a libfftw3_mpi.la <http://libfftw3_mpi.la>  libfftw3_threads.a
> libfftw3.la <http://libfftw3.la>  libfftw3_omp.a libfftw3_threads.la 
> <http://libfftw3_threads.la>
> although all the libraries are in the /opt/fftw-3.3.10/lib directory."
> 
> Even then WIEN2k is detecting only certain libraries and specifically 
> not the mpi libraries.
> 
> "Do you want to automatically search for FFTW installations? (Y,n):
> Y
>   Please specify a comma separated list of directories to search! (If no 
> list is entered,
>   /usr/lib64, /usr/local and /opt will be searched as default):
> /opt
>   Finding the required fftw3 library-files in /opt ....
> 
> /opt/fftw-3.3.10/lib/libfftw3_omp.a
> /opt/fftw-3.3.10/lib/libfftw3.a
> /opt/fftw-3.3.10/lib/libfftw3_threads.a
> /opt/fftw-3.3.10/lib/libfftw3.so
> 
>   Your present FFTW choice is: FFTW3
> 
>   Present FFTW root directory is: /opt/fftw-3.3.10-mpi/lib/
>   Do you want to use a FFTW version from the list above? (Y,n):
> 
> Any help in this regard will be highly appreciated,
> Regards
> Pradeep Sharma
> 
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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