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- W2378984188 abstract "In ABEEMσπ/MM method,the program of calculating the electrostatic interaction energy is very time-consuming.Considering several nesting circular parts of serial program,this paper develops a cyclic-striped partitioning parallel method.The tested results show that parallel speedup increased with linear trend,the speed of the calculation has obviously increased in dynamics simulation by this new compiled parallel program,especially on a macromolecular system.Using 36 CPUs,for the protein system with about 10000 sites,we can save at least one year for 1ns dynamics simulation.The new program has obviously increased the efficiency of the properties of protein systems." @default.
- W2378984188 created "2016-06-24" @default.
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- W2378984188 date "2009-01-01" @default.
- W2378984188 modified "2023-09-24" @default.
- W2378984188 title "Parallelize the program of electrostatic interaction energy in ABEEMσπ/MM method" @default.
- W2378984188 hasPublicationYear "2009" @default.
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