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A parallel ETD algorithm for large-scale rate theory simulation

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Abstract

Rate theory (RT) is a commonly used method to simulate the evolution of material defects. A promising numerical method, exponential time difference (ETD), can reduce the stiff RT equations to explicit ordinary differential equations (ODEs). Previous implementations of ETD on the “Sunway TaihuLight” supercomputer suffer from high computation cost and poor parallel efficiency while solving a large amount of ODEs. This paper improves the algorithm with hybrid MPI+SIMD and additional instruction-level optimizations by taking advantage of the architecture of “Sunway TaihuLight”. The execution time of a single iteration is reduced by about 40%. Scaling from 64 to 4096 processes, the parallel efficiency of the new algorithm achieves 33.5% and 50.6% in strong and weak scalability, which corresponds to 21.4 and 32.4 in speedup, respectively.

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Acknowledgements

This work was supported by the National Key R&D Program of China (No. 2020YFB0204603).

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Authors and Affiliations

  1. The Department of Computer Science and Technology, University of Science and Technology Beijing, Beijing, 100083, China

    JianJiang Li, Jiali Li, Yun Yang, Baixue Ji & Dandan Chen

  2. State Grid Tianjin Electric Power Company, Tianjin, 300201, China

    Yun Yang

  3. China Institute of Atomic Energy, Beijing, 102413, China

    Xinfu He

  4. Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100190, China

    Ningming Nie

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  1. JianJiang Li
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Correspondence to Jiali Li or Yun Yang.

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Li, J., Li, J., Yang, Y. et al. A parallel ETD algorithm for large-scale rate theory simulation. J Supercomput 78, 14215–14230 (2022). https://doi.org/10.1007/s11227-022-04434-2

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