[Wien] Speedup of WIEN2k compillation

Torsten Andersen thor at physik.uni-kl.de
Tue Oct 24 12:30:47 CEST 2006


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
>>>_______________________________________________
>>>Wien mailing list
>>>Wien at zeus.theochem.tuwien.ac.at
>>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
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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/


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