[Wien] parallel calculation with 1 kpoint

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jan 18 15:40:12 CET 2012


Via the mpi-parallel option.

You need a corresponding hardware (MORE than just 4 cores, eg. a cluster with
infiniband), and the corresponding mpi-software.

Read the UG for more details.

Am 16.01.2012 13:28, schrieb ali ghafari:
> Dear Wien2k users
>
> How can I do parallel calculations with 1 kpoint?
>
> Best wishes
> Ali
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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                                       P.Blaha
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