QCT开发者云上科学模拟的性能:以分子动力学和量子化学模拟为例

2017 IEEE 4th International Conference on Cyber Security and Cloud Computing (CSCloud) Pub Date : 2017-06-01 DOI:10.1109/CSCloud.2017.54

P. Madhavan, P. Young, Stephen Chang

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引用次数: 2

摘要

我们在骑士登陆(KNL)平台上为四种流行的科学模拟提供了直接的性能测量。提供Broadwell处理器的性能数据以供对比。这些应用程序(NAMD、LAMMPS、GROMACS和CP2K)是从QCT开发人员云中使用最多的十个应用程序中挑选出来的，也是许多用户使用的工作负载的最佳代表，考虑到它们的多样性，它们应该代表典型的高性能计算工作负载。所有运行都是在没有修改的情况下使用公开可用的代码执行的，因此随着开发人员获得骑士登陆(KNL)处理器的访问权限，结果应该会有所改善。目前的结果是有希望的，与双插槽Broadwell相比，在单个KNL处理器上的执行速度高达1.5倍。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Performance of Scientific Simulations on QCT Developer Cloud: A Case Study of Molecular Dynamic and Quantum Chemistry Simulations

We present direct performance measurements for four popular scientific simulations on the Knights Landing (KNL) platform. Performance numbers for Broadwell processors are provided for contrast. The applications (NAMD, LAMMPS, GROMACS and CP2K) were selected from among the ten most used in the QCT developer cloud as well as best representative of workloads used by many users and, given their diversity, should be representative of typical high performance computing workloads. All runs were performed with publicly available codes without modification and so results should be expected to improve as developers gain access to Knights Landing (KNL) processor. Current results are promising, with execution on a single KNL processor showing speedups up to 1.5x with respect to a dual socket Broadwell.

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来源期刊

2017 IEEE 4th International Conference on Cyber Security and Cloud Computing (CSCloud)

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