Student Cluster Competition 2017, Team Peking University: Reproducing vectorization of the Tersoff multi-body potential on the Intel Broadwell architecture

Zhenxin Fu, Lei Yang, Wenbin Hou, Zhuohan Li, Yifan Wu, Yihua Cheng, Xiaolin Wang, Yun Liang

Abstract: Highlights•Results of an optimized multi-body potential solving program are reproduced on Intel Xeon Broadwell architecture, including on cloud environment.•Only data obtained during the Student Cluster Competition are utilized.•The performance of the optimized program is compared with the original version to study the effectiveness and the scalability of the proposed optimization.