The algebraic eigenvalue problem
The algebraic eigenvalue problem
Improving the accuracy of inverse iteration
SIAM Journal on Scientific and Statistical Computing
A parallel QR algorithm for the symmetric tridiagonal eigenvalue problem
Journal of Parallel and Distributed Computing
ScaLAPACK user's guide
A new O (N(2)) algorithm for the symmetric tridiagonal eigenvalue/eigenvector problem
A new O (N(2)) algorithm for the symmetric tridiagonal eigenvalue/eigenvector problem
Working Note 17: Experiments with QR/QL Methods For The Symmetric Tridiagonal Eigenproblem
Working Note 17: Experiments with QR/QL Methods For The Symmetric Tridiagonal Eigenproblem
Performance of Various Computers Using Standard Linear Equations Software
Performance of Various Computers Using Standard Linear Equations Software
LAPACK Working Note 19: Evaluating Block Algorithm Variants in LAPACK
LAPACK Working Note 19: Evaluating Block Algorithm Variants in LAPACK
Parallelizing the Divide and Conquer Algorithm for the SymmetricTridiagonal Eigenvalue Problem on Distributed Memory Architectures
Execution time of symmetric eigensolvers
Execution time of symmetric eigensolvers
Progress towards petascale applications in biology: status in 2006
Euro-Par'06 Proceedings of the CoreGRID 2006, UNICORE Summit 2006, Petascale Computational Biology and Bioinformatics conference on Parallel processing
Elemental: A New Framework for Distributed Memory Dense Matrix Computations
ACM Transactions on Mathematical Software (TOMS)
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In this paper we report the development of a very high performance parallel eigensolver based on the portable ScaLAPACK library, and its application to electronic structure calculations in the MP-Quest code. This work was done on ASCI-Red, a supercomputer based on over 4600 dual-processor Pentium Pro nodes at Sandia National Laboratories. We report sustained performance in the code of 605GFlops and peak performance in the eigensolver of 684GFlops. This is comparable to performance obtained from MP-Linpack on a similar sized problem. For a smaller problem we have sustained performance of 420GFlops in the application and peak performance in the eigensolver of 563GFlops. Impact of this work on the specific application is important, but the development of significant improvements to a portable eigensolver and other libraries will also benefit a number of applications.