[Wien] Simultaneous run of lapw1 -up and -dn

[Peter Blaha]

Such a parallelization would be possible.

However, in most cases you will have more k-points anyway and thus can use
the simple k-point parallel scheme (where you can also use more than 2 nodes).
If you have just one k-point, then your suggestion would provide a 2 node
parallelization.

PS: Check the uplapw1.def and dnlapw1.def files to see which files are necessary/
will be generated.

> As we know WIEN2k can run in parallel mode. In spin-polarized case the 
> program *lapw1 -up* is invoked at first, then *lapw1 -dn* is started. 
> The same situation is for lapw2 routine.
> 
> Can we run lapw1 -up and lapw1 -dn at the same time, but on different 
> nodes of a cluster? Or lapw1/2 -dn must use output data of lapw1/2 -up? 
> If so, could you please say what files exactly are needed by lapw1/2 -dn 
> routines.
> 
> Thanks.
> 
> -- 
> Best regards,
>    Maxim Rakitin
>    Postgraduate student
>    South Ural State University,
>    76 Lenin av., Chelyabinsk, Russia, 454080
>    Email: rms85 at mail.ru 
>    Web: http://www.susu.ac.ru
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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