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

A two‐level hierarchical scheme, generalized distributed data interface (GDDI), implemented into GAMESS is presented. Parallelization is accomplished first at the upper level by assigning computational tasks to groups. Then each group does parallelization at the lower level, by dividing its task int...

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Veröffentlicht in:	Journal of computational chemistry 2004-04, Vol.25 (6), p.872-880
Hauptverfasser:	Fedorov, Dmitri G., Olson, Ryan M., Kitaura, Kazuo, Gordon, Mark S., Koseki, Shiro
Format:	Artikel
Sprache:	eng
Schlagworte:	DDI fragment molecular orbital (FMO) GAMESS parallel
Online-Zugang:	Volltext
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