A shift selection strategy for parallel shift-invert spectrum slicing in symmetric self-consistent eigenvalue computation
From MaRDI portal
(Redirected from Publication:5066581)
Abstract: The central importance of large scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine treatment of eigenvalue problems with dimensions on the order of hundreds of thousands on the world's largest supercomputers. In cases where dense treatments are not feasible, Krylov subspace methods offer an attractive alternative due to the fact that they do not require storage of the problem matrices. However, demonstration of scalability of either of these classes of eigenvalue algorithms on computing architectures capable of expressing massive parallelism is non-trivial due to communication requirements and serial bottlenecks, respectively. In this work, we introduce the SISLICE method: a parallel shift-invert algorithm for the solution of the symmetric self-consistent field (SCF) eigenvalue problem. The SISLICE method drastically reduces the communication requirement of current parallel shift-invert eigenvalue algorithms through various shift selection and migration techniques based on density of states estimation and k-means clustering, respectively. This work demonstrates the robustness and parallel performance of the SISLICE method on a representative set of SCF eigenvalue problems and outlines research directions which will be explored in future work.
Recommendations
- Strategies for spectrum slicing based on restarted Lanczos methods
- Solving large nonlinear generalized eigenvalue problems from density functional theory calculations in parallel
- Efficient solution of symmetric/Hermitian eigenvalue problems on parallel arrays of vector processors
- A Parallel Eigensolver for Dense Symmetric Matrices Based on Multiple Relatively Robust Representations
- An efficient implementation of parallel eigenvalue computation for massively parallel processing
Cited in
(5)- A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport
- Strategies for spectrum slicing based on restarted Lanczos methods
- Inertia‐based spectrum slicing for symmetric quadratic eigenvalue problems
- SISLICE
- A parallel algorithm for computing partial spectral factorizations of matrix pencils via Chebyshev approximation
Describes a project that uses
Uses Software
This page was built for publication: A shift selection strategy for parallel shift-invert spectrum slicing in symmetric self-consistent eigenvalue computation
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5066581)
