Enhance the Strong Scaling of LAMMPS on Fugaku

Author:

Li Jianxiong12ORCID,Zhao Tong12ORCID,Guo Zhuoqiang12ORCID,Shi Shunchen12ORCID,Liu Lijun3ORCID,Tan Guangming12ORCID,Jia Weile12ORCID,Yuan Guojun12ORCID,Wang Zhan12ORCID

Affiliation:

1. State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China

2. University of Chinese Academy of Sciences, Beijing, China

3. Department of Mechanical Engineering, Graduate School of Engineering, Osaka University, Osaka, Japan

Funder

National Key Research and Development Program of China

National Science Foundation of China

CAS Project for Young Scientists in Basic Research

Network Information Project of Chinese Academy of Sciences

HPCI System Research Project

Publisher

ACM

Reference34 articles.

1. Bilge Acun , David J Hardy , Laxmikant V Kale , Keqin Li , James C Phillips , and John E Stone . 2018. Scalable molecular dynamics with NAMD on the summit system. IBM journal of research and development 62, 6 ( 2018 ), 4--1. Bilge Acun, David J Hardy, Laxmikant V Kale, Keqin Li, James C Phillips, and John E Stone. 2018. Scalable molecular dynamics with NAMD on the summit system. IBM journal of research and development 62, 6 (2018), 4--1.

2. The Tofu Interconnect D

3. An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications

4. HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations

5. Polarizable force fields for molecular dynamics simulations of biomolecules

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