Transplantation and optimization of molecular dynamics simulation on MT-3000

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Jianjiang Li, Hongyaoxing Gu, Jing Zhao, Lin Qiao, Chunye Gong, Gang Zheng

Published: 2024, Last Modified: 15 May 2025Future Gener. Comput. Syst. 2024EveryoneRevisionsBibTeXCC BY-SA 4.0
Abstract: Highlights•Porting the molecular dynamics simulation program to the MT-3000 architecture.•Optimizing the program to make full use of heterogeneous resources of DSP clusters.•Combining process-level, thread-level and data-level parallelism.•Achieving remarkable performance in terms of accuracy and scalability.