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uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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VASP error report #316

Open ZhewenSong opened 10 years ago

ZhewenSong commented 10 years ago

MAST should detect if a certain VASP run is crashed and report it. For instance, after a series of structure relaxations, MAST only deals with those well converged structure for the NEB calc. But for a certain relaxation calculation that crashes, MAST just skips its NEB calculation yet doesn't return any VASP crash messages.

cmgtam commented 10 years ago

MAST is logging this information (or it should be) but it sounds like either it is getting hidden, or the frozen_seconds hasn't triggered the error handler to set the ingredient status to Error yet.