A dynamic block activation framework for continuum models

IF 18.3 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Nature computational science Pub Date : 2025-03-17 DOI:10.1038/s43588-025-00780-2
Ruoyao Zhang, Yang Xia
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Abstract

Efficient utilization of massively parallel computing resources is crucial for advancing scientific understanding through complex simulations. However, existing adaptive methods often face challenges in implementation complexity and scalability on modern parallel hardware. Here we present dynamic block activation (DBA), an acceleration framework that can be applied to a broad range of continuum simulations by strategically allocating resources on the basis of the dynamic features of the physical model. By exploiting the hierarchical structure of parallel hardware and dynamically activating and deactivating computation blocks, DBA optimizes performance while maintaining accuracy. We demonstrate DBA’s effectiveness through solving representative models spanning multiple scientific fields, including materials science, biophysics and fluid dynamics, achieving 216–816 central processing unit core-equivalent speedups on a single graphics processing unit (GPU), up to fivefold acceleration compared with highly optimized GPU code and nearly perfect scalability up to 32 GPUs. By addressing common challenges, such as divergent memory access, and reducing programming burden, DBA offers a promising approach to fully leverage massively parallel systems across multiple scientific computing domains. An acceleration framework for a broad range of continuum models improves the performance of numerical simulations, without compromising accuracy, by selectively allocating computational resources to regions of interest.

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连续体模型的动态块激活框架。
大规模并行计算资源的有效利用对于通过复杂模拟推进科学理解至关重要。然而,现有的自适应方法在现代并行硬件上往往面临实现复杂性和可扩展性的挑战。在这里,我们提出了动态块激活(DBA),这是一种加速框架,可以通过基于物理模型的动态特征战略性地分配资源来应用于广泛的连续体模拟。通过利用并行硬件的层次结构和动态激活和停用计算块,DBA在保持准确性的同时优化了性能。我们通过解决跨越多个科学领域的代表性模型来证明DBA的有效性,包括材料科学,生物物理学和流体动力学,在单个图形处理单元(GPU)上实现216-816中央处理单元核心等效速度,与高度优化的GPU代码相比加速高达五倍,并且几乎完美的可扩展性高达32个GPU。通过解决常见的挑战(如分散的内存访问)和减少编程负担,DBA提供了一种很有前途的方法来充分利用跨多个科学计算领域的大规模并行系统。
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