Accelerating nuclear configuration interaction calculations through the LOBPCG algorithm
报告题目(Title)：Accelerating nuclear configuration interaction calculations through the LOBPCG algorithm
报告人(Speaker)：邵美悦 （复旦大学）
地点(Place)： 腾讯会议 ID：497 286 437
时间(Time)：2020年11月12日16:30
邀请人(Inviter)：陈华杰
报告摘要
We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction cal-culations on high performance parallel computers. We show the bene-fit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the ei-genvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem. The use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. We also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers.
主讲人简介
邵美悦，复旦大学大数据学院青年研究员。2014年毕业于瑞士洛桑联邦理工学院，获得计算数学博士学位。2014年至2019年在美国劳伦斯伯克利国家实验室从事研究工作，先后担任博士后研究员和项目科学家。2019年5月进入复旦大学大数据学院工作。其主要研究领域为数值线性代数和高性能计算。
