[Wien] ISO_C_BINDING module

[tasaka at affinity-science.com]

Hi,

thanks for the messages.
The compiler I use is Parallelnavi Language Package for Linux.
you'be been a great help!

Thank you, with best regards,
Tomo

----- Original Message -----
> 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
> >     Email: blaha at theochem.tuwien.ac.at
> >     <mailto:blaha at theochem.tuwien.ac.at>    WWW:
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> >     --------------------------------------------------------------------------
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> >
> >
> >
> > --
> > Professor Laurence Marks
> > Department of Materials Science and Engineering
> > Northwestern University
> > www.numis.northwestern.edu <http://www.numis.northwestern.edu>
> > 1-847-491-3996
> > "Research is to see what everybody else has seen, and to think what
> > nobody else has thought"
> > 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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