[Wien] calculate two crystal features Simultaneously

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Fri Jul 17 09:52:02 CEST 2015


What does "two crystal features Simultaneously" mean?

Only one calculation per directory can be done. Your two calculations
need to be setup and run in different directories.

F. Tran

On Fri, 17 Jul 2015, Mohammad Liyai wrote:

> Dear wien2k users
>
> I have search many more in mailing list for this question. but didn't
> got any satisfactory and helpful result for this question. My question
> is how can calculate two crystal features Simultaneously on four nodes
> that parallelized with mpi and k-point parallelization? Until this
> time I used this machines file for two cases:
> Crystal one:
> 1:master:10
> 1:master:10
> 1:node1:10
> 1:node1:10
> Crystal two:
> 1:node2:10
> 1:node2:10
> 1:node3:10
> 1:node3:10
> Is this ok??
> Please help
>
> Any response in this regard will be appreciated.
>
> with regards,
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