[Wien] Wien2k with load-distributing systems

Michael Frotscher frotscher at chemie.uni-hamburg.de
Wed Sep 17 09:52:44 CEST 2003


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On Wednesday 17 September 2003 03:53, Valerio Bellini wrote:
> If you are on a shared-memory system, you should not use the USEREMOTE
> variable when you make the 'siteconfig' setup.
> Instead you should use some parallel environment command like poe, or
> mpiexec or mpirun..depending on your computer.

I guess I'm better off using mpi - at least its installed and I can use it. 
Using ssh is not such a good idea after all, as the ssh-forks are then 
one-by-one submitted to the batch system, which treats each of them as a 
different batch job and executes them one after the other. This sort of 
defies the meaning of parallel processing.

I'll try to recompile WIEN using the shared memory architecture. As I don't 
really get that section of the userguide: how do I tell WIEN to use the 
finegrained parallel instead of k-point parallelization?

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany 
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