[Wien] parallel instalation of Wien2k: elpa, fftw

[Pavel Ondračka]

I think I see the issue, libfftw3_mpi.a is a static library  Please
build FFTW with something like --enable-dynamic, or so, to get the
dynamic libraries as well (I don't remember the exact switch, but
./configure --help will list you all the options, so just find it
there).

If you have libfftw3_mpi.so and you still have issues, just post all of
your FFTW options and the full path to the directory where you have the
libraries (and the list of its contents), to debug further.

As a further remark, FFTW is so common library that is should be pretty
much available on every possible system, so I would suggest to save
yourself some trouble and don't compile it on your own. If this is your
computer, just install the correct packages from repos, or if this is
on cluster, just use the FFTW module module provided by admins. This
approach have the advantage, that the libraries will be either
installed into your system paths (or the loading of the module should
update the default paths), so even if you mess up your FFTW settings is
siteconfig, the linker should still be able to find the libraries...

Best regards
Pavel

BTW linking with static libs is doable but to do it through the
siteconfig is pretty much impossible so if you really want to do it,
you need to edit Makefiles manually.

On Sun, 2020-09-13 at 08:53 +0000, 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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