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- W2100953633 abstract "Abstract 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. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009" @default.
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- W2100953633 date "2008-08-26" @default.
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- W2100953633 title "Parallel Fock matrix construction program for molecular orbital calculation-Specific computer with a hierarchical network" @default.
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- W2100953633 doi "https://doi.org/10.1002/jcc.21108" @default.
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