[Wien] Wien2k with load-distributing systems
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?
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany
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