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231223s2009 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.21108
|2 doi
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|a pubmed24n0606.xml
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|a (DE-627)NLM181808986
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|a (NLM)18727159
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Umeda, Hiroaki
|e verfasserin
|4 aut
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|a Parallel Fock matrix construction program for molecular orbital calculation--specific computer with a hierarchical network
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|c 2009
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 24.04.2009
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|a Date Revised 02.03.2009
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a 2008 Wiley Periodicals, Inc.
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|a A parallel Fock matrix construction program for a hierarchical network has been developed on the molecular orbital calculation-specific EHPC system. To obtain high parallelization efficiency on the hierarchical network system, a multilevel dynamic load-balancing scheme was adopted, which provides equal load balance and localization of communications on a tree-structured hierarchical network. The parallelized Fock matrix construction routine was implemented into a GAMESS program on the EHPC system, which has a tree-structured hierarchical network. Benchmark results on a 63-processor system showed high parallelization efficiency even on the tree-structured hierarchical network
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|a Journal Article
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|a Inadomi, Yuichi
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Honda, Hiroaki
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Nagashima, Umpei
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 30(2009), 5 vom: 15. Apr., Seite 826-31
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
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|g volume:30
|g year:2009
|g number:5
|g day:15
|g month:04
|g pages:826-31
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|u http://dx.doi.org/10.1002/jcc.21108
|3 Volltext
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|d 30
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