[Wien] Wien2k 13 installation without FFTW3

[Masood Yousaf]

Respected Community Members

I just want to give a suggestion. I see off and on emails regarding WIEN2k installation. May any one make a screen video of installating WIEN2k with proper pre-requisite and a test run with parallel Job submission. Screen video recordings can be used to illustrate many complex things beside installation. Personally I got a lot of benefit by turning on Screen recorder on my system whenever someone teach me something which requires a lot of steps with multiple selection of options.


Best wishes
Masood
Universiti Tecknologi Malaysia




>________________________________
> From: "michel at if.usp.br" <michel at if.usp.br>
>To: wien at zeus.theochem.tuwien.ac.at 
>Sent: Friday, June 28, 2013 10:10 PM
>Subject: [Wien] Wien2k 13 installation without FFTW3
> 
>
>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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