[Wien] SGE and parallel compilation

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Nov 17 22:30:22 CET 2007


Check the faq pages on www.wien2k.at.

There is such a script for the load leveler, but the way to create the 
"dual" .machines file is more or less identical.

Che Seabourne schrieb:
> 
>   I am running wien version 7.3 (latest update) on 64 bit architecture, 
> using intel fortran and libraries. Has anyone discovered a way of 
> launching WIEN2K through sun grid engine (SGE) with both kpoint and MPI 
> parallel? - we've got k-point sorted, but it is the MPI/mixed that we 
> could do with. Any help would be greatly appreciated. Regards, Che
> 
> 
> -- 
> -------------------------------------------------------------------
> Che Seabourne
> Institute for Materials Research
> University of Leeds
> 
> 
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> 
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