理化学研究所 計算科学研究センター

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第141回

第141回
日時: 2018年7月20日(金)、15:30 – 16:30
場所: R-CCS 6階講堂

・講演題目:Computing Matrix Functions on the K Computer
・講演者:William Dawson (量子系分子科学研究チーム)
※発表・スライド共に英語

講演要旨: 詳細を見る

In this talk, I will present a new library for computing matrix functions, and will do my best to present it in a way that should be of interest to researchers from R-CCS’s many disciplines. Matrix functions have a number of applications including materials science, the solution of partial differential equations, and the study of real world networks. In this talk, I will review the theory of matrix functions, and discuss several methods of computation. Then I will present the parallelization strategy of our library, including the use of communication avoiding algorithms and task based parallelization. I will discuss usability considerations, including how to build a library in Fortran which can be called from many different programming languages. I will finish by presenting a number of different applications of this library, including quantum chemistry, social network analysis, search engine optimization, and the calculation of the eigendecomposition of a matrix.