PEPS++: Towards Extreme-Scale Simulations of Strongly Correlated Quantum Many-Particle Models on Sunway TaihuLight

PEPS++: Towards Extreme-Scale Simulations of Strongly Correlated Quantum Many-Particle Models on Sunway TaihuLight
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DOI:
10.1109/tpds.2018.2848618
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发表时间:
2018-06
影响因子:
5.3
通讯作者:
Lixin He;Hong An;Chao Yang;Fei Wang;Junshi Chen;Chao Wang;Weihao Liang;Shaojun Dong;Qiao S
Lixin He;Hong An;Chao Yang;Fei Wang;Junshi Chen;Chao Wang;Weihao Liang;Shaojun Dong;Qiao S
中科院分区:
计算机科学2区
文献类型:
--
作者:
Lixin He;Hong An;Chao Yang;Fei Wang;Junshi Chen;Chao Wang;Weihao Liang;Shaojun Dong;Qiao S

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强受挫磁系统的研究已经引起了理论物理学和实验物理学的高度重视。这些模型的有效模拟对于理解它们的奇异特性是必不可少的。在这里,我们提出了一种新的计算范式PEPS++,用于模拟受挫磁系统和其他强相关量子多体系统。PEPS++可以在现代异构超级计算机上以低成本和高可扩展性精确求解这些模型。我们在神威太湖之光上基于精心设计的张量计算库实现了peps++,该库用于处理高阶张量,并通过调用各种高性能的矩阵和张量运算对其进行优化。通过解决超过1000万核的二维强受挫$J_1$ -$J_2$模型,PEPS++展示了在前所未有的尺度上模拟强相关量子多体问题的能力,其精度和求解时间远远超出了以前的技术水平。
The study of strongly frustrated magnetic systems has drawn great attentions from both theoretical and experimental physics. Efficient simulations of these models are essential for understanding their exotic properties. Here we present PEPS++, a novel computational paradigm for simulating frustrated magnetic systems and other strongly correlated quantum many-body systems. PEPS++ can accurately solve these models at the extreme scale with low cost and high scalability on modern heterogeneous supercomputers. We implement PEPS++ on Sunway TaihuLight based on a carefully designed tensor computation library for manipulating high-rank tensors and optimize it by invoking various high-performance matrix and tensor operations. By solving a 2D strongly frustrated $J_1$ -$J_2$ model with over ten million cores, PEPS++ demonstrates the capability of simulating strongly correlated quantum many-body problems at unprecedented scales with accuracy and time-to-solution far beyond the previous state of the art.