[Wien] Speedup of WIEN2k compillation

[Torsten Andersen]

OK, that makes it a bit easier. You need to unpack Wien2k in one 
directory for each option, and run siteconfig in each of these 
directories (use ./siteconfig_lapw as the calling command in each 
directory). Unset the environment variable WIENROOT if it is set...

Best regards,
Torsten Andersen.

shaposh at isp.nsc.ru wrote:
> I want to test different compiler options.
> 
> Best Regards,
> A.Shaposhnikov
> 
> On Tuesday 24 October 2006 17:30, Torsten Andersen wrote:
> 
>>Excuse me... hahahahaha... but I guess that then you have to do the
>>recompiling manually. After configuring the parameters, exit the
>>siteconfig. Change to SRC_lapw1, etc., and type "make real" (each in a
>>separate shell), thereafter "make complex", and so on... you can not
>>make real and complex at the same time, but lapw1 and lapw2, etc., can
>>be made in parallel.
>>
>>Of course I also want to know why you need to do this... in the new
>>Wien2k (as opposed to Wien97) you should only need to compile once.
>>
>>Best regards,
>>Torsten Andersen.
>>
>>shaposh at isp.nsc.ru wrote:
>>
>>>Hello Mr. Andersen,
>>>
>>>You didn't understand me. I need to speed up compillation of WIEN2k
>>>software itself.
>>>
>>>Best Regards,
>>>A.Shaposhnikov
>>>
>>>On Tuesday 24 October 2006 17:16, Torsten Andersen wrote:
>>>
>>>>Dear Mr. Schaposhnikov,
>>>>
>>>>yes, it is, and Wien2k supports two kinds of parallelization: MPI and
>>>>k-point parallelization. k-point parallelization is almost always faster
>>>>if you have more than 1 k-point. Read the UG and follow the setup
>>>>instructions in siteconfig and userconfig.
>>>>
>>>>Best regards,
>>>>Torsten Andersen.
>>>>
>>>>shaposh at isp.nsc.ru wrote:
>>>>
>>>>>Dear WIEN2k users,
>>>>>is it possible and how to compile WIEN2k in parallel on SMP
>>>>>machine?
>>>>>Thanks.
>>>>>
>>>>>Best Regards,
>>>>>A. Shaposhnikov
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>>>
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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/