Performance Analysis of Parallel Eigensolvers of Two Libraries on BlueGene/P  

作　　者：Inge Gutheil Tommy Berg Johannes Grotendorst 

机构地区：[1]Institute for Advanced Simulation, Jiilich Supercomputing Centre, Jfilich D-52425, Germany

出　　处：《Journal of Mathematics and System Science》2012年第4期231-236,共6页数学和系统科学（英文版）

摘　　要：Many applications in computational science and engineering require the computation of eigenvalues and vectors of dense symmetric or Hermitian matrices. For example, in DFT （density functional theory） calculations on modern supercomputers 10% to 30% of the eigenvalues and eigenvectors of huge dense matrices have to be calculated. Therefore, performance and parallel scaling of the used eigensolvers is of upmost interest. In this article different routines of the linear algebra packages ScaLAPACK and Elemental for parallel solution of the symmetric eigenvalue problem are compared concerning their performance on the BlueGene/P supercomputer. Parameters for performance optimization are adjusted for the different data distribution methods used in the two libraries. It is found that for all test cases the new library Elemental which uses a two-dimensional element by element distribution of the matrices to the processors shows better performance than the old ScaLAPACK library which uses a block-cyclic distribution.

关 键 词：Numerical linear algebra eigensolvers SCALAPACK ELEMENTAL performance analysis. 

分 类 号：TP338.4[自动化与计算机技术—计算机系统结构] O241.6[自动化与计算机技术—计算机科学与技术]