A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

Journal of Computational Chemistry

Volumn 25, Issue 6, 2004, Pages 872-880

  Fedorov, Dmitri G ^a   Olson, Ryan M ^b   Kitaura, Kazuo ^a   Gordon, Mark S ^b   Koseki, Shiro ^c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b IOWA STATE UNIVERSITY   (United States)

^c Osaka Prefecture University   (Japan)

Author keywords

DDI; Fragment molecular orbital (FMO); GAMESS; Parallel

Indexed keywords

ALGORITHMS; GRADIENT METHODS; OPTIMIZATION; PROTEINS; QUANTUM THEORY; WATER;

FRAGMENT MOLECULAR ORBITAL METHOD; FREQUENCY ANALYSES; GENERAL ATOMIC AND MOLECULAR ELECTRONIC STRUCTURE SYSTEM; GENERALIZED DISTRIBUTED DATA INTERFACE; MULTIHUB FAST ETHERNET NETWORK; PARALLELIZATION; SADDLE POINT SEARCHES;

PARALLEL PROCESSING SYSTEMS;

EID: 1942423116     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20018     Document Type: Article

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