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

Lin Lin, Chao Yang, Juan C. Meza, Jianfeng Lu, Lexing Ying, Weinan E
2009 unpublished
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 = LDL^T, where L is lower triangular and D is diagonal. Our implementation, which is called SelInv, is built on top of an efficient supernodal left-looking LDL^T 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
more » ... a collection of sparse matrices of various sizes and nonzero structures. We also demonstrate how SelInv can be used in electronic structure calculations. Report Documentation Page Form Approved OMB No. 0704-0188 Public reporting burden for the collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden, to Washington Headquarters Services, Directorate for Information Operations and Reports, 1215 Jefferson Davis Highway, Suite 1204, Arlington VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law, no person shall be subject to a penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number.
doi:10.21236/ada522688 fatcat:rvqar63hnbd3hjuhc372tns7ai