Neighbor-list-free molecular dynamics on sunway TaihuLight supercomputer
Author:
Affiliation:
1. Shandong University, Jinan
2. National Supercomputing Center in Wuxi
3. Tsinghua University, Beijing
4. Johannes-Gutenberg University, Mainz
Funder
Center for High Performance Computing and System Simulation, Pilot National Laboratory for Marine Science and Technology (Qingdao)
PPP project from CSC and DAAD
NSFC
Publisher
ACM
Link
https://dl.acm.org/doi/pdf/10.1145/3332466.3374532
Reference4 articles.
1. The Amber biomolecular simulation programs
2. Redesigning LAMMPS for Peta-Scale and Hundred-Billion-Atom Simulation on Sunway TaihuLight
3. Striped Smith-Waterman speeds database searches six times over other SIMD implementations
4. On the determination of molecular fields. —II. From the equation of state of a gas
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1. swRodinia: A Benchmark Suite for Exploiting Architecture Properties of Sunway Processor;Benchmarking, Measuring, and Optimizing;2021
2. OKCM: improving parallel task scheduling in high-performance computing systems using online learning;The Journal of Supercomputing;2020-11-13
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