[Wien] ISO_C_BINDING module

[Peter Blaha]

WIEN2k_11  had only support for FFTW2 (also for mpi) and did not have
ISO_C_BINDING.
This is only necessary for FFTW3.

If you want use FFTW2 AND MPI, I think you still can comment out all 
ISO_C ... and it should work.

Unfortunately FFTW3+mpi was implemented in an non-clean way ...


On 04/26/2013 02:46 PM, Laurence Marks wrote:
> I think you can comment out the relevant parts of fft_modules.F in
> SRC_lapw0/lapw0 and module.f in SRC_hf if you are using the non-mpi
> versions, e.g.
>
> #ifdef FFTW3
> use, intrinsic :: ISO_C_BINDING
> implicit none
>          integer(C_INTPTR_T) :: local_nlast
>          integer(C_INTPTR_T) :: local_last_start
>          integer(C_INTPTR_T) :: total_local_size
>          integer(C_INTPTR_T) :: iff3_g
>          integer(C_INTPTR_T) :: ifft3_g
> #endif
>
> Unfortunately changing to -DFFTW2 would require a bit more work for the
> mpi version.
>
> On Fri, Apr 26, 2013 at 1:58 AM, Peter Blaha
> <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>> wrote:
>
>     Whatever compiler you are using ???
>
>     Anyway, use the fftw2 version of the fftw library and I think you don't
>     need this module.   (-DFFTW2   and the corresponding fftw2 version of
>     the library.)
>
>     On 04/26/2013 01:56 AM, tasaka at affinity-science.com
>     <mailto:tasaka at affinity-science.com> wrote:
>      > Hello,
>      >
>      > I found that version 12.1 requires ISO_C_BINDING module.
>      > this is a Fortran 2003 extension and some f90/f95 compilers don't
>     support it.
>      > For the users who use that compilers, should they choose version
>     11.1?
>      > if anyone know the workaround, please advise.
>      >
>      > With best regards,
>      > Tomo
>      >
>      >
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>     --
>
>                                             P.Blaha
>     --------------------------------------------------------------------------
>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>     Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
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> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu>
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> Albert Szent-Gyorgi
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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