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tinyMD: A Portable and Scalable Implementation for Pairwise Interactions Simulations
arXiv - CS - Performance Pub Date : 2020-09-16 , DOI: arxiv-2009.07400
Rafael Ravedutti L. Machado (1), Jonas Schmitt (1), Sebastian Eibl (1), Jan Eitzinger (2), Roland Lei{\ss}a (3), Sebastian Hack (3), Ars\`ene P\'erard-Gayot (3), Richard Membarth (3 and 4) and Harald K\"ostler (1) ((1) Chair for System Simulation at University of Erlangen-N\"urnberg, (2) Regional Computer Center Erlangen at University of Erlangen-N\"urnberg, (3) Saarland Informatics Campus at Saarland University, (4) German Research Center for Artificial Intelligence at Saarland Informatics Campus)

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.

中文翻译:

tinyMD:用于成对交互模拟的便携式和可扩展实现

本文研究了 AnyDSL 部分评估框架对实现 tinyMD 的适用性:一种高效、可扩展且可移植的粒子间成对交互模拟。我们将 tinyMD 与 miniMD 代理应用程序进行了比较,后者在并行超级计算机上的扩展性非常好。我们讨论了两种实现之间的差异,并对比了 miniMD 在单节点 CPU 和 GPU 目标上的性能,以及它在 SuperMUC-NG 和 Piz Daint 超级计算机上的可扩展性。此外,我们通过将 tinyMD 与 waLBerla 多物理场框架耦合来展示 tinyMD 的灵活性。这允许我们使用在 waLBerla 中实现的负载平衡机制来执行 tinyMD 模拟。
更新日期:2020-09-17
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