Accession Number:

ADA522688

Title:

SelInv - An Algorithm for Selected Inversion of a Sparse Symmetric Matrix

Descriptive Note:

Corporate Author:

CALIFORNIA UNIV BERKELEY LAWRENCE BERKELEY LAB

Personal Author(s):

• Lin, Lin
• Yang, Chao
• Meza, Juan C.
• Lu, Jianfeng
• Ying, Lexing
• E, Weinan

Report Date:

2009-10-16

Pagination or Media Count:

20.0

Abstract:

We describe an efficient implementation of an algorithm for computing selected elements of a general sparse symmetric matrix A that can be decomposed as A LDLT where L is lower triangular and D is diagonal. Our implementation, which is called SelInv, is built on top of an efficient supermodal left-looking LDLT factorization of A. We discuss how computational efficiency can be gained by making use of a relative index array to handle indirect addressing. We report the performance of SelInv on a collection of sparse matrices of various sizes and nonzero structures. We also demonstrate how SelInv can be used in electronic structure calculations.

Descriptors:

• *ALGORITHMS
• INVERSION
• SPARSE MATRIX
• COMPUTATIONS

Subject Categories:

• Numerical Mathematics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE