[Wien] Fwd: Error while parallel run

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Jul 30 09:28:40 CEST 2012


No. For large cells you have to learn how to configure and use mpi correctly.

Am 30.07.2012 09:21, schrieb alpa dashora:
> Dear Prof. Blaha,
>
> As per your suggestion, I am able to run the k-point parallel calculation.
>
> But in case of large systems, about 100 atoms, can I use this technique (with how many k-points?)?
>
> rgds,
>
>
>
>
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                                       P.Blaha
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