Molecular Dynamics Simulation of a Biomolecule with High Speed, Low Power and Accuracy Using GPU-Accelerated TSUBAME2.0 Supercomputer

摘要：

This paper describes the usability of GPUaccelerated molecular dynamics (MD) simulations for studying biomolecules from the viewpoints of speed, power consumption, and accuracy. The results of simulations showed that GPUs were considerably faster and more energy-efficient than CPUs and their accuracy was high enough. The results computed by an 8 nodes, 16 GPU system were comparable to those of an 8 nodes, 96 CPU cores system; the GPUs produced an acceleration of 10 times and an energy reduction of 75％. These results are encouraging enough for us to use GPUs for MD simulations.

作者: Shiqiao Du Takuro Udagawa Toshio Endo Masakazu Sekijima

作者单位: Tokyo Institute of Technology, Tokyo, Japan

会议类型: 国际会议

会议名称: 2011亚太信号与信息处理协会年度峰会(APSIPAASC 2011)

会议地点: 西安

会议语种:英文

页码: 1-5

在线出版日期: 2011-10-18（万方平台首次上网日期，不代表论文的发表时间）