A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations

DOI10.1137/09077432XzbMath1230.65039MaRDI QIDQ3103517

Chao Yang, Lin Lin, Lexing Ying, Jian-feng Lu, E. Weinan

Publication date: 7 December 2011

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

zbMATH Keywords

numerical examples; parallel algorithm; Hamiltonian matrix; matrix inversion; electronic structure calculation; selected inversion; block \(LDL^T\) factorization; structured symmetric sparse matrix

Mathematics Subject Classification ID

65F50: Computational methods for sparse matrices

65Y05: Parallel numerical computation

65F05: Direct numerical methods for linear systems and matrix inversion

Uses Software

• SuperLU-DIST
• SPOOLES
• WSMP
• PT-Scotch
• Zoltan
• SelInv