Title
OpenACC + Athread collaborative optimization of Silicon-Crystal application on Sunway TaihuLight
Abstract
The Silicon-Crystal application based on molecular dynamics (MD) is used to simulate the thermal conductivity of the crystal, which adopts the Tersoff potential to simulate the trajectory of the silicon crystal. Based on the OpenACC version, to better solve the problem of discrete memory access and write dependency, task pipeline optimization and the interval graph coloring scheduling method are proposed. Also, the part of codes on CPEs is vectorized by the SIMD command to further improve the computational performance. After the collaborative development of OpenACC+Athread, the performance has been improved by 16.68 times and achieves 2.34X speedup compared with the OpenACC version. Moreover, the application is expanded to 66,560 cores and can simulate reactions of 268,435,456 silicon atoms.
Year
DOI
Venue
2022
10.1016/j.parco.2022.102893
Parallel Computing
Keywords
DocType
Volume
SW26010,Silicon-Crystal application,OpenACC,Athread,Molecular dynamics simulation
Journal
111
ISSN
Citations 
PageRank 
0167-8191
0
0.34
References 
Authors
0
6
Name
Order
Citations
PageRank
Jianguo Liang100.34
Rong Hua200.34
Wenqiang Zhu300.34
Yuxi Ye400.34
You Fu502.70
Hao Zhang600.34