Optimized thread-block arrangement in a GPU implementation of a linear solver for atmospheric chemistry mechanisms

IF 7.2 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Computer Physics Communications Pub Date : 2024-05-13 DOI:10.1016/j.cpc.2024.109240
Christian Guzman Ruiz , Mario Acosta , Oriol Jorba , Eduardo Cesar Galobardes , Matthew Dawson , Guillermo Oyarzun , Carlos Pérez García-Pando , Kim Serradell
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Abstract

Earth system models (ESM) demand significant hardware resources and energy consumption to solve atmospheric chemistry processes. Recent studies have shown improved performance from running these models on GPU accelerators. Nonetheless, there is room for improvement in exploiting even more GPU resources.

This study proposes an optimized distribution of the chemical solver's computational load on the GPU, named Block-cells. Additionally, we evaluate different configurations for distributing the computational load in an NVIDIA GPU.

We use the linear solver from the Chemistry Across Multiple Phases (CAMP) framework as our test bed. An intermediate-complexity chemical mechanism under typical atmospheric conditions is used. Results demonstrate a 35× speedup compared to the single-CPU thread reference case. Even using the full resources of the node (40 physical cores) on the reference case, the Block-cells version outperforms them by 50%. The Block-cells approach shows promise in alleviating the computational burden of chemical solvers on GPU architectures.

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大气化学机制线性求解器 GPU 实施中的优化线程块安排
地球系统模型(ESM)需要大量的硬件资源和能源消耗来解决大气化学过程。最近的研究表明,在 GPU 加速器上运行这些模型的性能有所提高。本研究提出了在 GPU 上优化分配化学求解器计算负荷的方法,命名为 Block-cells。此外,我们还评估了在英伟达™(NVIDIA®)GPU上分配计算负荷的不同配置。我们使用多相化学(CAMP)框架中的线性求解器作为测试平台。我们使用跨多相化学(CAMP)框架的线性求解器作为测试平台,使用了典型大气条件下的中等复杂度化学机制。结果表明,与单 CPU 线程参考情况相比,速度提高了 35 倍。即使在参考案例中使用全部节点资源(40 个物理内核),Block-cells 版本也比它们高出 50%。Block-cells 方法有望减轻 GPU 架构上化学求解器的计算负担。
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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