[Wien] zfft3d.F

[Peter Blaha]

In an "official WIEN2k installation (unsing  siteconfig)  Makefile is not used, but we
use  Makefile.orig.  This does not use  zfft3.o anymore.

PS: The fftw4 interface was done by some student. Unfortunately it introduced severe
problems, which I could not even solve so far for all possible combinations of

fftpack/fftw2/fftw2 and sequential/parallel  (at least not with the latest ifort compiler).

I need a couple of silent hours to fix this, but its hard to find ...

Am 01.12.2012 01:43, schrieb Laurence Marks:
> Individual, downloaded (to check) ~20 mins ago.
>
> Do you know who wrote the ffftw2/3 interface, it does not look like Peter's style. It has some entertaining matrix transformations which are avoidable by changing the
> N1,N2,N3 order to N3,N2,N1.
>
> On Nov 30, 2012 6:21 PM, "Gavin Abo" <gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>> wrote:
>
>     Full or individual package? Wien2k version?  My previous response assumed full 12.1.
>
>     On 11/30/2012 5:09 PM, Laurence Marks wrote:
>>     To correct my earlier response, the current web version does have zfft3.o in the Makefile, and I believe zfft3.F should be removed. (I don't want to predict which
>>     version a fortran compiler will pick from zfft3.f and zfft3.F.) Peter, can you please confirm?
>>
>>     --
>>     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. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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