Parallella algoritmer och biblioteksprogramvara för det generaliserade egenvärdesproblemet på datorsystem med distribuerat minne

We present and discuss algorithms and library software for solving the generalized non-symmetric eigenvalue problem (GNEP) on high performance computing (HPC) platforms with distributed memory. Such problems occur frequently in computational science and engineering, and our contributions make it possible to solve GNEPs fast and accurate in parallel using state-of-the-art HPC systems. A generalized eigenvalue problem corresponds to finding scalars y and vectors x such that Ax = yBx, where A and B are real square matrices. A nonzero x that satisfies the GNEP equation is called an eigenvector of the ordered pair (A,B), and the scalar y is the associated eigenvalue. Our contributions include parallel algorithms for transforming a matrix pair (A,B) to a generalized Schur form (S,T), where S is quasi upper triangular and T is upper triangular. The eigenvalues are revealed from the diagonals of S and T. Moreover, for a specified set of eigenvalues an associated pair of deflating subspaces can be computed, which typically is requested in various applications. In the first stage the matrix pair (A,B) is reduced to a Hessenberg-triangular form (H,T), where H is upper triangular with one nonzero subdiagonal and T is upper triangular, in a finite number of steps. The second stage reduces the matrix pair further to generalized Schur form (S,T) using an iterative QZ-based method. Outgoing from a one-stage method for the reduction from (A,B) to (H,T), a novel parallel algorithm is developed. In brief, a delayed update technique is applied to several partial steps, involving low level operations, before associated accumulated transformations are applied in a blocked fashion which together with a wave-front task scheduler makes the algorithm scale when running in a parallel setting. The potential presence of infinite eigenvalues makes a generalized eigenvalue problem ill-conditioned. Therefore the parallel algorithm for the second stage, reduction to (S,T) form, continuously scan for and robustly deflate infinite eigenvalues. This will reduce the impact so that they do not interfere with other real eigenvalues or are misinterpreted as real eigenvalues. In addition, our parallel iterative QZ-based algorithm makes use of multiple implicit shifts and an aggressive early deflation (AED) technique, which radically speeds up the convergence. The multi-shift strategy is based on independent chains of so called coupled bulges and computational windows which is an important source of making the algorithm scalable. The parallel algorithms have been implemented in state-of-the-art library software. The performance is demonstrated and evaluated using up to 1600 CPU cores for problems with matrices as large as 100000 x 100000. Our library software is described in a User Guide. The software is, optionally, tunable via a set of parameters for various thresholds and buffer sizes etc. These parameters are discussed, and recommended values are specified which should result in reasonable performance on HPC systems similar to the ones we have been running on