uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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finite size scaling should be able to change number of nodes and processors #414

Open cmgtam opened 10 years ago

cmgtam commented 10 years ago

Currently it seems as though the number of nodes and processors may need to be dominated by the largest cell size, which could require many more processors than the smallest cell size.

There may be some way to automatically figure out how to multiply nodes and processors...