首页> 外文会议>International Symposium on Parallel and Distributed Processing and Applications(ISPA 2007); 20070829-31; Nigara Falls(CA) >An FPGA Design to Achieve Fast and Accurate Results for Molecular Dynamics Simulations
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An FPGA Design to Achieve Fast and Accurate Results for Molecular Dynamics Simulations

机译:FPGA设计可实现快速准确的分子动力学仿真结果

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A Molecular Dynamics (MD) system is defined by the position and momentum of particles and their interactions. The dynamics of a system can be evaluated by an N-body problem and the simulation is continued until the energy reaches equilibrium. Thus, solving the dynamics numerically and evaluating the interaction is computationally expensive even for a small number of particles in the system. We are focusing on long-ranged interactions, since the calculation time is O(N~2) for an N particle system. There are many existing algorithms aimed at reducing the calculation time of MD simulations. Multigrid (MG) method [1] reduces O(N~2) calculation time to 0(N) time while still achieving reasonable accuracy. Another movement to achieve much faster calculation time is running MD simulation on special purpose processors and customized hardware with ASICs or FPGAs. In this paper, we design and implement an FPGA-based MD simulator with an efficient MG method.
机译:分子动力学(MD)系统由粒子的位置和动量及其相互作用定义。可以通过N体问题评估系统的动力学,并继续进行仿真,直到能量达到平衡为止。因此,即使对于系统中的少量粒子,通过数字方式求解动力学并评估相互作用也是计算上昂贵的。我们关注的是远程相互作用,因为N粒子系统的计算时间为O(N〜2)。现有许多旨在减少MD模拟计算时间的算法。多重网格(MG)方法[1]可以将O(N〜2)的计算时间减少到0(N)的时间,同时仍然可以实现合理的精度。实现更快计算时间的另一项举措是在专用处理器和具有ASIC或FPGA的定制硬件上运行MD仿真。在本文中,我们使用高效的MG方法设计和实现了基于FPGA的MD仿真器。

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