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- W2350312043 abstract "The multi-cell MD(molecular dynamics) method is a parallel method that is widely used for molecular dynamics simulations.Because the numbers of message passing calls of the multi-cell MD methods with different interaction paths are different with each other,it can use the interaction paths and optimize the number of message passing calls.A way for the design of efficient parallel method is to optimize the number of message passing calls.Therefore,in this paper,we study sixteen different interaction paths and its models that quantify the number of message passing calls,determine a best one which ensures high performance communication and high load balancing,from them.Experimental results show that the averaging correctness of our models is 99.1391%,and the parallel efficiency per a time step of that is increased about 5.16% than the HS method,the increment of processor number and the optimization of the cutoff radii improve the parallel efficiency." @default.
- W2350312043 created "2016-06-24" @default.
- W2350312043 creator A5078967797 @default.
- W2350312043 date "2013-01-01" @default.
- W2350312043 modified "2023-09-28" @default.
- W2350312043 title "An Efficient Multi-cell Molecular Dynamics Method" @default.
- W2350312043 hasPublicationYear "2013" @default.
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