[Wien] query_Parallel
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Dec 9 06:59:20 CET 2009
Read the parallelisation section in the users guide !
Start with k-point parallelization.
You don't need any new script.
Manish Kumar schrieb:
> Dear WIEN user
>
> Till date, I have perform the calculations using WIEN2k code in serial
> version. Now I wish to run these in parallel mode for including
> doping.
> For this, we need to write new script sothat parallel execution could
> take place.
> I could not make it clear from wien2k userguide.
> I request you all to provide the preliminary details to do so.
--
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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