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4 Parallelism

PWneb uses PWscf as energy and forces engine. It can take advantage from the two different parallelization paradigms currently implemented inside QUANTUM ESPRESSO. For a detailed information about QUANTUM ESPRESSO parallization, please refer to the QUANTUM ESPRESSO general documentation. All PWscf-specific parallelization options holds.

As PWneb makes several energy and forces evaluations ("images") for each NEB cycle it is possible to distribute them through Message-Passing (MPI).



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Layla Martin-Samos Colomer 2012-05-10