[Wien] question about wien05.5 on IBM AIX system

[Torsten Andersen]

Dear Kongshi,

try to compile with -q64 -O3, and leave out the qipa and bmaxdata 
statements. lapw2 gets slower by that, but lapw1 not by much.

I have had similar problems on a p690, but due to a lack of time (both 
my time and the allocated time on the p690) I have so far not tried to 
solve it...

Which compiler version are you using? Some of them have bugs that affect 
Wien2k (for example xlf 8.1.0).

Best regards,
Torsten Andersen.

kongshi wrote:
> Dear Torsten Andersen:
> 
>        The DOS is different. And the output of linux is same as DOS Plot 
> in userguide. And the EF is 0.74257 Ry same as example file.
> 
>        The output EF of AIX is 0.98689 Ry. The DOS Plot is different 
> from userguide visibly. The input file, initialize set, SCF set is same 
> in two system.
> 
>  
> 
>  
> 
>  
> 
>  
> 
> Dear users:
> 
> I run the wien2k_05.5 on IBM P650 AIX 5.2 system. I can’t get the 
> correct result of example TiC from it. I run the example on linux and 
> the result is ok.
> 
> I use the complier set in FAQ (Compiling WIEN2k on an IBM p630 
> <http://www.wien2k.at/reg_user/faq/ibm.html> ).
> 
> Who get the correct result on IBM AIX? I want to know how to do.
> 
>  
> 
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> Best regards
> 
>  
> 
> Kongshi
> 
>    
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/