34th IUPAP Conference on Computational Physics（CCP2023）

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Poster

Poster

Poster 1

Sat. Aug 5, 2023 4:10 PM - 6:10 PM Reception Hall (3F)

[PS1-13] Accelerating 3D-RISM calculation on multi-GPU using MPI and CUDA

*Yutaka Maruyama1,2 (1. The Institute of Statistical Mathematics (Japan), 2. Meiji University (Japan))

Keywords:3D-RISM theory, Solvation free energy, GPU, MPI

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