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COMET: A Domain-Specific Compilation of High-Performance Computational Chemistry
arXiv - CS - Mathematical Software Pub Date : 2021-02-13 , DOI: arxiv-2102.06827
Erdal Mutlu, Ruiqin Tian, Bin Ren, Sriram Krishnamoorthy, Roberto Gioiosa, Jacques Pienaar, Gokcen Kestor

The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor contractions are the fundamental computational building block of these simulations. These simulations have often been tied to one platform and restricted in generality by the interface provided to the user. The expanding prevalence of accelerators and researcher demands necessitate a more general approach which is not tied to specific hardware or requires contortion of algorithms to specific hardware platforms. In this paper we present COMET, a domain-specific programming language and compiler infrastructure for tensor contractions targeting heterogeneous accelerators. We present a system of progressive lowering through multiple layers of abstraction and optimization that achieves up to 1.98X speedup for 30 tensor contractions commonly used in computational chemistry and beyond.

中文翻译:

COMET:高性能计算化学的领域特定编译

在过去的几十年中,计算能力的提高极大地增强了模拟化学反应和理解日益复杂的转换的能力。张量收缩是这些模拟的基本计算基础。这些模拟通常与一个平台相关联,并且通常受到提供给用户的界面的限制。加速器和研究人员的普及率不断提高,因此需要一种更通用的方法,该方法不限于特定的硬件,也不要求将算法扭曲至特定的硬件平台。在本文中,我们介绍了COMET,这是一种针对特定领域的编程语言和编译器基础结构,用于针对异构加速器的张量收缩。
更新日期:2021-02-16
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