[Wien] Wien2k 13 installation without FFTW3

[Laurence Marks]

A quick answer about mixer & pairhess; neither use any version of fftw
so changing the Makefile is completely safe.

I have not analyzed the new siteconfig/Makefile structure in wien2k_13
in detail, the FFTW* options are new, maybe there are some minor
glitches in them (what you found looks like a bug) which Peter will
presumably cure.

On Fri, Jun 28, 2013 at 9:10 AM, michel at if.usp.br <michel at if.usp.br> wrote:
> Dear Wien2k users,
>
> I installed wien2k 13 in my machine and I noted that now, when we
> configure the parallel instalation, the siteconfig script asks for
> what FFTW we have installed. I have just FFTW2, so this is the one I
> chose. The instalation was sucessfull, without errors. Then I tested
> the instalation and I got an error message at mixer, saying that it
> could not find the fftw3 libraries. I thought it was strange, since I
> wanted to install using FFTW2. I looked at the Makefile for Mixer and
> at the compiler options was -DFFTW3 and at the libraries -lfftw3. So I
> changed -DFFTW3 to -DFFTW2 and -lfftw3 to -lfftw and compiled again.
> This time the calculation was sucessfull. So I tried to minimize the
> internal forces at the structure and this time I got the same error
> message at the Pairhess program. Again I looked at the Makefile and it
> was using FFTW3 instead of FFTW2. I did the same modification and the
> program run sucessfully. Now, I have two questions:
>
> 1) Can I change the Makefile at these programs so that they use FFTW2
> or do they need FFTW3?
>
> 2) Are there any other programs in which I have to change the Makefile
> manually, so that they use FFTW2 instead of FFTW3?
>
> Thank you very much for your attention.
>
> Best regards,
>
> Michel Lacerda
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
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