密度矩阵重整化群的高性能计算

Yingqi Tian, Hai-bo Ma
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引用次数: 1

摘要

密度矩阵重整化群(DMRG)方法是一种求解大活动空间强相关问题的有效方法,在过去的几十年里,许多算法利用高性能计算(HPC)技术来加速密度矩阵重整化群(DMRG)方法。在本文中,介绍了不同并行度级别上以前的DMRG并行化算法。提出并讨论了异构计算加速方法和混合精度实现方法。最后,对今后的工作进行了总结和展望。
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High-Performance Computing for Density Matrix Renormalization Group
In the last decades, many algorithms have been developed to use high-performance computing (HPC) techniques to accelerate the density matrix renormalization group (DMRG) method, an effective method for solving large active space strong correlation problems. In this article, the previous DMRG parallelization algorithms at different levels of the parallelism are introduced. The heterogeneous computing acceleration methods and the mixed-precision implementation are also presented and discussed. This mini-review concludes with some summary and prospects for future works.
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