[Wien] Fwd: Error while parallel run

[Peter Blaha]

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

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------