Applying OOC Techniques in the Reduction to Condensed Form for Very Large Symmetric Eigenproblems on GPUs

In this paper we address the reduction of a dense matrix to tridiagonal form for the solution of symmetric eigenvalue problems on a graphics processor (GPU) when the data is too large to fit into the accelerator memory. We apply out-of-core techniques to a three-stage algorithm, carefully redesigning the first stage to reduce the number of data transfers between the CPU and GPU memory spaces, maintain the memory requirements on the GPU within limits, and ensure high performance by featuring a high ratio between computation and communication

Fast computation of spectral projectors of banded matrices

We consider the approximate computation of spectral projectors for symmetric banded matrices. While this problem has received considerable attention, especially in the context of linear scaling electronic structure methods, the presence of small relative spectral gaps challenges existing methods based on approximate sparsity. In this work, we show how a data-sparse approximation based on hierarchical matrices can be used to overcome this problem. We prove a priori bounds on the approximation error and propose a fast algo- rithm based on the QDWH algorithm, along the works by Nakatsukasa et al. Numerical experiments demonstrate that the performance of our algorithm is robust with respect to the spectral gap. A preliminary Matlab implementation becomes faster than eig already for matrix sizes of a few thousand.Comment: 27 pages, 10 figure

A Householder-based algorithm for Hessenberg-triangular reduction

The QZ algorithm for computing eigenvalues and eigenvectors of a matrix pencil $A - \lambda B$ requires that the matrices first be reduced to Hessenberg-triangular (HT) form. The current method of choice for HT reduction relies entirely on Givens rotations regrouped and accumulated into small dense matrices which are subsequently applied using matrix multiplication routines. A non-vanishing fraction of the total flop count must nevertheless still be performed as sequences of overlapping Givens rotations alternately applied from the left and from the right. The many data dependencies associated with this computational pattern leads to inefficient use of the processor and poor scalability. In this paper, we therefore introduce a fundamentally different approach that relies entirely on (large) Householder reflectors partially accumulated into block reflectors, by using (compact) WY representations. Even though the new algorithm requires more floating point operations than the state of the art algorithm, extensive experiments on both real and synthetic data indicate that it is still competitive, even in a sequential setting. The new algorithm is conjectured to have better parallel scalability, an idea which is partially supported by early small-scale experiments using multi-threaded BLAS. The design and evaluation of a parallel formulation is future work

MPI-CUDA parallel linear solvers for block-tridiagonal matrices in the context of SLEPc's eigensolvers

[EN] We consider the computation of a few eigenpairs of a generalized eigenvalue problem Ax = lambda Bx with block-tridiagonal matrices, not necessarily symmetric, in the context of Krylov methods. In this kind of computation, it is often necessary to solve a linear system of equations in each iteration of the eigensolver, for instance when B is not the identity matrix or when computing interior eigenvalues with the shift-and-invert spectral transformation. In this work, we aim to compare different direct linear solvers that can exploit the block-tridiagonal structure. Block cyclic reduction and the Spike algorithm are considered. A parallel implementation based on MPI is developed in the context of the SLEPc library. The use of GPU devices to accelerate local computations shows to be competitive for large block sizes.This work was supported by Agencia Estatal de Investigacion (AEI) under grant TIN2016-75985-P, which includes European Commission ERDF funds. Alejandro Lamas Davina was supported by the Spanish Ministry of Education, Culture and Sport through a grant with reference FPU13-06655.Lamas Daviña, A.; Roman, JE. (2018). MPI-CUDA parallel linear solvers for block-tridiagonal matrices in the context of SLEPc's eigensolvers. Parallel Computing. 74:118-135. https://doi.org/10.1016/j.parco.2017.11.006S1181357

GPU implementation of Krylov solvers for block-tridiagonal eigenvalue problems

The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-32149-3_18In an eigenvalue problem defined by one or two matrices with block-tridiagonal structure, if only a few eigenpairs are required it is interesting to consider iterative methods based on Krylov subspaces, even if matrix blocks are dense. In this context, using the GPU for the associated dense linear algebra may provide high performance. We analyze this in an implementation done in the context of SLEPc, the Scalable Library for Eigenvalue Problem Computations. In the case of a generalized eigenproblem or when interior eigenvalues are computed with shift-and-invert, the main computational kernel is the solution of linear systems with a block-tridiagonal matrix. We explore possible implementations of this operation on the GPU, including a block cyclic reduction algorithm.This work was partially supported by the Spanish Ministry of Economy and Competitiveness under grant TIN2013-41049-P. Alejandro Lamas was supported by the Spanish Ministry of Education, Culture and Sport through grant FPU13-06655.Lamas Daviña, A.; Román Moltó, JE. (2016). GPU implementation of Krylov solvers for block-tridiagonal eigenvalue problems. En Parallel Processing and Applied Mathematics. Springer. 182-191. https://doi.org/10.1007%2F978-3-319-32149-3_18S182191Baghapour, B., Esfahanian, V., Torabzadeh, M., Darian, H.M.: A discontinuous Galerkin method with block cyclic reduction solver for simulating compressible flows on GPUs. Int. J. Comput. Math. 92(1), 110–131 (2014)Bientinesi, P., Igual, F.D., Kressner, D., Petschow, M., Quintana-Ortí, E.S.: Condensed forms for the symmetric eigenvalue problem on multi-threaded architectures. Concur. Comput. Pract. Exp. 23, 694–707 (2011)Haidar, A., Ltaief, H., Dongarra, J.: Toward a high performance tile divide and conquer algorithm for the dense symmetric eigenvalue problem. SIAM J. Sci. Comput. 34(6), C249–C274 (2012)Heller, D.: Some aspects of the cyclic reduction algorithm for block tridiagonal linear systems. SIAM J. Numer. Anal. 13(4), 484–496 (1976)Hernandez, V., Roman, J.E., Vidal, V.: SLEPc: a scalable and flexible toolkit for the solution of eigenvalue problems. ACM Trans. Math. Softw. 31(3), 351–362 (2005)Hirshman, S.P., Perumalla, K.S., Lynch, V.E., Sanchez, R.: BCYCLIC: a parallel block tridiagonal matrix cyclic solver. J. Comput. Phys. 229(18), 6392–6404 (2010)Minden, V., Smith, B., Knepley, M.G.: Preliminary implementation of PETSc using GPUs. In: Yuen, D.A., Wang, L., Chi, X., Johnsson, L., Ge, W., Shi, Y. (eds.) GPU Solutions to Multi-scale Problems in Science and Engineering. Lecture Notes in Earth System Sciences, pp. 131–140. Springer, Heidelberg (2013)NVIDIA: CUBLAS Library V7.0. Technical report, DU-06702-001 $$\_$$ v7.0, NVIDIA Corporation (2015)Park, A.J., Perumalla, K.S.: Efficient heterogeneous execution on large multicore and accelerator platforms: case study using a block tridiagonal solver. J. Parallel and Distrib. Comput. 73(12), 1578–1591 (2013)Reguly, I., Giles, M.: Efficient sparse matrix-vector multiplication on cache-based GPUs. In: Innovative Parallel Computing (InPar), pp. 1–12 (2012)Roman, J.E., Vasconcelos, P.B.: Harnessing GPU power from high-level libraries: eigenvalues of integral operators with SLEPc. In: International Conference on Computational Science. Procedia Computer Science, vol. 18, pp. 2591–2594. Elsevier (2013)Seal, S.K., Perumalla, K.S., Hirshman, S.P.: Revisiting parallel cyclic reduction and parallel prefix-based algorithms for block tridiagonal systems of equations. J. Parallel Distrib. Comput. 73(2), 273–280 (2013)Stewart, G.W.: A Krylov-Schur algorithm for large eigenproblems. SIAM J. Matrix Anal. Appl. 23(3), 601–614 (2001)Tomov, S., Nath, R., Dongarra, J.: Accelerating the reduction to upper Hessenberg, tridiagonal, and bidiagonal forms through hybrid GPU-based computing. Parallel Comput. 36(12), 645–654 (2010)Vomel, C., Tomov, S., Dongarra, J.: Divide and conquer on hybrid GPU-accelerated multicore systems. SIAM J. Sci. Comput. 34(2), C70–C82 (2012)Zhang, Y., Cohen, J., Owens, J.D.: Fast tridiagonal solvers on the GPU. In: Proceedings of the 15th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming. PPopp 2010, pp. 127–136 (2010

MRRR-based Eigensolvers for Multi-core Processors and Supercomputers

The real symmetric tridiagonal eigenproblem is of outstanding importance in numerical computations; it arises frequently as part of eigensolvers for standard and generalized dense Hermitian eigenproblems that are based on a reduction to tridiagonal form. For its solution, the algorithm of Multiple Relatively Robust Representations (MRRR or MR3 in short) - introduced in the late 1990s - is among the fastest methods. To compute k eigenpairs of a real n-by-n tridiagonal T, MRRR only requires O(kn) arithmetic operations; in contrast, all the other practical methods require O(k^2 n) or O(n^3) operations in the worst case. This thesis centers around the performance and accuracy of MRRR.Comment: PhD thesi