论文标题

TinyMD:成对交互模拟的便携式可扩展实现

tinyMD: A Portable and Scalable Implementation for Pairwise Interactions Simulations

论文作者

Machado, Rafael Ravedutti L., Schmitt, Jonas, Eibl, Sebastian, Eitzinger, Jan, Leißa, Roland, Hack, Sebastian, Pérard-Gayot, Arsène, Membarth, Richard, Köstler, Harald

论文摘要

本文研究了AnyDSL部分评估框架实现TinyMD的适用性:对粒子之间成对相互作用的有效,可扩展和便携式模拟。我们将TinyMD与在平行超级计算机上很好地缩放的最小代理应用程序进行了比较。我们讨论了实现和对比度最小值单节CPU和GPU目标的差异,以及其对SuperMuc-NG和PIZ SuperCuputers的可扩展性。另外,我们通过将其与Walberla多物理框架结合来展示Tinymd的灵活性。这使我们可以使用Walberla中实施的负载平衡机制执行TinyMD模拟。

This paper investigates the suitability of the AnyDSL partial evaluation framework to implement tinyMD: an efficient, scalable, and portable simulation of pairwise interactions among particles. We compare tinyMD with the miniMD proxy application that scales very well on parallel supercomputers. We discuss the differences between both implementations and contrast miniMD's performance for single-node CPU and GPU targets, as well as its scalability on SuperMUC-NG and Piz Daint supercomputers. Additionaly, we demonstrate tinyMD's flexibility by coupling it with the waLBerla multi-physics framework. This allow us to execute tinyMD simulations using the load-balancing mechanism implemented in waLBerla.

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