[Wien] configuring static linking with siteconfig

[Ruh Thomas]

Dear Pavel,

I looked into static linking with no / minimal changes into the default Makefiles of WIEN2k and I am afraid it is not possible - the suggested workaround by Gavin should not work. At least it did not for me. Mainly because, as Gavin already mentioned, siteconfig_lapw sets all the linking up dynamically.
Our point of view in the WIEN-group is that dynamic linking is preferential anyway (especially if you want mpi-parallelism), because the binaries would be rather large.

In case you absolutely need statically linked ScaLAPACK and/or FFTW-libraries you will have to manually adapt the necessary Makefiles. 

Kind regards
Thomas

________________________________________
Von: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> im Auftrag von Gavin Abo <gsabo at crimson.ua.edu>
Gesendet: Montag, 30. Oktober 2017 12:59
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] configuring static linking with siteconfig

In WIEN2k versions older than 17.1, I think the advanced user could
directly modify WIEN2k_OPTIONS (or OPTIONS), then run siteconfig to load
the file and just do a save to propagate the settings to the Makefiles.
I think it might be with the parallel settings that the new
auto-generation in siteconfig_lapw changed it so that also no longer works.

On line 2036 in siteconfig_lapw, there should be:

         set SCALAPACK_LIBNAME = 'mkl_scalapack_lp64'

Have you tried changing it to:

         set SCALAPACK_LIBNAME = 'ibscalapack.a'

Similarly, maybe try changing line 2795:

     set fftwlibspara = "-l${FFTW_LIBNAME}_mpi"

to say

     set fftwlibspara = "-lfftw3_mpi.a"

On 10/30/2017 3:21 AM, Pavel Ondračka wrote:
> Dear Wien2k mailing list,
>
> what is the recomended way to link Wien2k with static libs using the
> siteconfig script? For example when I go to "SCALAPACK Settings" I
> would like to link with static libscalapack.a, however I can only set
> the SCALAPACKROOT and SCALAPACK_LIBNAME and the final SCALAPACK_LIBS is
> autogenerated to link with a dynamical library. Is there a way to edit
> the SCALAPACK_LIBS and link with a static library without editing the
> generated makefiles manually? BTW similar problems is with fftw
> settings...
>
> Best regards
> Pavel Ondračka
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