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通过动态负载平衡,提高CFD模拟在催化剂表面的反应性流量的计算效率

Daniele Micale¹, Mauro Bracconi¹, Matteo Maestri¹

¹Laboratory of Catalysis and Catalytic Processes, Dipartimento di Energia, Politecnico di Milano, via La Masa 34, 20156 Milano, Italy.

ACS engineering Au

|June 24, 2024

概括

我们开发了一种动态负载平衡策略,以加快复杂的化学流动模拟. 这种方法显著提高了催化剂表面反应的计算效率,使得更大规模的模拟成为可能.

科学领域:

计算流体动力学 (CFD) 是一种计算流体动力学.
化学工程是化学工程的组成部分.
高性能计算的高性能计算.

背景情况:

在催化剂表面的反应流的多尺度模拟是计算密集的.
现有的方法在有效分配计算负载方面面临挑战,特别是化学解决方案.
优化并行效率对于推进这些模拟至关重要.

研究的目的:

引入使用动态负载平衡 (DLB) 的数值策略,以提高反应性流量的多尺度CFD模拟中的计算效率.
改进化学计算的处理器之间的计算工作负载的分布.
为了使更广泛和更有效地使用高性能计算资源.

主要方法:

实现动态负载平衡 (DLB) 结合混合并行技术 (MPI和OpenMP).
该策略应用于固定和流体化床反应堆模拟.
与没有DLB的模拟相比,对并行效率和计算速度的评估.

主要成果:

在并行效率方面表现出显著的改进,从19%提高到87% (固定床) 和19%提高到91% (流化床).
与非DLB模拟相比,实现了1.9x (固定床) 和2.1x (流化床) 的计算加速度.
通过优化负载分配,成功地将计算开销降到最低.

结论:

拟议的DLB策略有效地提高了对反应性流量的多尺度CFD模拟的计算效率.
这种方法有助于更有效地利用高性能计算资源.
该方法扩大了复杂的反应流模拟的范围和可行性.

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