.png){kind=icon}
返回
tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation
.png){kind=icon}
PRE
AI
DOI：10.1016/j.jocs.2021.101425.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
This paper investigates the suitability of the AnyDSL partial evaluation framework to implement tinyMD: an efficient, scalable, and portable simulation of pairwise interactions among particles. We compare tinyMD with the miniMD proxy application that scales very well on parallel supercomputers. We discuss the differences between both implementations and contrast miniMD's performance for single-node CPU and GPU targets, as well as its scalability on SuperMUC-NG and Piz Daint supercomputers. Additionally, we demonstrate tinyMD's flexibility by coupling it with the waLBerla multi-physics framework. This allow us to execute tinyMD simulations using the load-balancing mechanism implemented in waLBerla.
Keyword:
Molecular dynamics
Partial evaluation
High performance computing
Load balancing
期刊
IF:
18.3
论文数:
3.1K
被引数:
4.0K
机构
引用论文
A flexible algorithm for calculating pair interactions on SIMD architectures在SIMD体系结构上计算对交互的灵活算法
.png){kind=icon}
PREAI
分享收藏Using deformable particles for single-particle measurements of velocity gradient tensors使用可变形粒子进行速度梯度张量的单粒子测量
OAAI
OAAI分享收藏Average power output and the power law: identifying trends in the behavior of fluidic harvesters in grid turbulence平均功率输出与幂律：识别流体收集器在电网湍流中的行为趋势
PREAI
分享收藏Day-ahead Optimal Scheduling Strategy of Microgrid with EVs Charging Station含电动汽车充电站的微电网日前优化调度策略
PREAI
分享收藏
查看更多内容