基于JASM IN框架的粒子模拟并行计算

Parallel Computing of Particle Simulation Based on JASMIN

粒子模拟通过求解粒子运动方程计算粒子轨迹,其中粒子受力分为短程力和长程力两种。粒子模拟广泛应用于材料科学和等离子体物理。在粒子模拟并行计算中,存在四个共性问题,包括数据结构、粒子通信、负载平衡和快速多极子。我们将关于这些问题的研究成果集成到JASMIN框架,形成四个模块,以支持粒子模拟大规模计算。目前,在JASMIN框架上已经开发了十多个应用程序,如分子动力学代码、PIC代码和位错动力学代码等。对于短程力粒子模拟,并行程序可在2000个处理器上模拟包含数十亿粒子的物理模型。对于长程力粒子模拟,并行程序可在1000个处理器上模拟包含千万个粒子的模型。

Particle simulations compute particle trajectories by solving equations of motion numerically using short-range or long-range force fields,which have been applied in problems ranging from material science to plasma physics. There are four common problems in parallel computing of particle simulations,including data structure,particle communication,load balancing and fast multipole method. Our researches about these problems have been integrated in four modules of JASMIN infrastructure. Now,tens of particle application programs have been developed on JASMIN infrastructure. These programs contain molecular dynamics code,PIC code,dislocation dynamics code etc. For short-range force field,some parallel codes can simulate physical model including billions of particles on 2000 processors. For long- range force field,the parallel code can simulate physical model including tens of millions of particles on 1000 processors.