The Power Efficiency of GPUs in Multi Nodes Environment with Molecular Dynamics

Energy efficient systems are highly demanded as the power consumption in HPC region increase. The use of GPUs has attracted attention as a possible solution to these problems because of their parallel performance and power efficiency. However, it is uncertain how much improvement can be obtained by applying GPUs to applications. In this study, we developed a molecular dynamics simulation program for CPU parallel and GPU parallel, and executed it on our computer cluster. Then we compared the performance of CPUs and GPUs. We obtained the result that the GPUs were about 10 times faster and 5 times more power efficient than the CPUs.