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
<[email protected] <mailto:[email protected]>> 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, [email protected]
<mailto:[email protected]> 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: [email protected]
<mailto:[email protected]> WWW:
http://info.tuwien.ac.at/theochem/
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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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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