334 research outputs found

    Restarted Q-Arnoldi-type methods exploiting symmetry in quadratic eigenvalue problems

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    The final publication is available at Springer via http://dx.doi.org/ 10.1007/s10543-016-0601-5.We investigate how to adapt the Q-Arnoldi method for the case of symmetric quadratic eigenvalue problems, that is, we are interested in computing a few eigenpairs of with M, C, K symmetric matrices. This problem has no particular structure, in the sense that eigenvalues can be complex or even defective. Still, symmetry of the matrices can be exploited to some extent. For this, we perform a symmetric linearization , where A, B are symmetric matrices but the pair (A, B) is indefinite and hence standard Lanczos methods are not applicable. We implement a symmetric-indefinite Lanczos method and enrich it with a thick-restart technique. This method uses pseudo inner products induced by matrix B for the orthogonalization of vectors (indefinite Gram-Schmidt). The projected problem is also an indefinite matrix pair. The next step is to write a specialized, memory-efficient version that exploits the block structure of A and B, referring only to the original problem matrices M, C, K as in the Q-Arnoldi method. This results in what we have called the Q-Lanczos method. Furthermore, we define a stabilized variant analog of the TOAR method. We show results obtained with parallel implementations in SLEPc.This work was supported by the Spanish Ministry of Economy and Competitiveness under Grant TIN2013-41049-P. Carmen Campos was supported by the Spanish Ministry of Education, Culture and Sport through an FPU Grant with reference AP2012-0608.Campos, C.; Román Moltó, JE. (2016). Restarted Q-Arnoldi-type methods exploiting symmetry in quadratic eigenvalue problems. BIT Numerical Mathematics. 56(4):1213-1236. https://doi.org/10.1007/s10543-016-0601-5S12131236564Bai, Z., Su, Y.: SOAR: a second-order Arnoldi method for the solution of the quadratic eigenvalue problem. SIAM J. Matrix Anal. 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    Parallel eigensolvers in plane-wave Density Functional Theory

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    We consider the problem of parallelizing electronic structure computations in plane-wave Density Functional Theory. Because of the limited scalability of Fourier transforms, parallelism has to be found at the eigensolver level. We show how a recently proposed algorithm based on Chebyshev polynomials can scale into the tens of thousands of processors, outperforming block conjugate gradient algorithms for large computations

    A Hamiltonian Krylov-Schur-type method based on the symplectic Lanczos process

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    We discuss a Krylov-Schur like restarting technique applied within the symplectic Lanczos algorithm for the Hamiltonian eigenvalue problem. This allows to easily implement a purging and locking strategy in order to improve the convergence properties of the symplectic Lanczos algorithm. The Krylov-Schur-like restarting is based on the SR algorithm. Some ingredients of the latter need to be adapted to the structure of the symplectic Lanczos recursion. We demonstrate the efficiency of the new method for several Hamiltonian eigenproblems

    An Optimized and Scalable Eigensolver for Sequences of Eigenvalue Problems

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    In many scientific applications the solution of non-linear differential equations are obtained through the set-up and solution of a number of successive eigenproblems. These eigenproblems can be regarded as a sequence whenever the solution of one problem fosters the initialization of the next. In addition, in some eigenproblem sequences there is a connection between the solutions of adjacent eigenproblems. Whenever it is possible to unravel the existence of such a connection, the eigenproblem sequence is said to be correlated. When facing with a sequence of correlated eigenproblems the current strategy amounts to solving each eigenproblem in isolation. We propose a alternative approach which exploits such correlation through the use of an eigensolver based on subspace iteration and accelerated with Chebyshev polynomials (ChFSI). The resulting eigensolver is optimized by minimizing the number of matrix-vector multiplications and parallelized using the Elemental library framework. Numerical results show that ChFSI achieves excellent scalability and is competitive with current dense linear algebra parallel eigensolvers.Comment: 23 Pages, 6 figures. First revision of an invited submission to special issue of Concurrency and Computation: Practice and Experienc

    Thick-restarted joint Lanczos bidiagonalization for the GSVD

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    The computation of the partial generalized singular value decomposition (GSVD) of large-scale matrix pairs can be approached by means of iterative methods based on expanding subspaces, particularly Krylov subspaces. We consider the joint Lanczos bidiagonalization method, and analyze the feasibility of adapting the thick restart technique that is being used successfully in the context of other linear algebra problems. Numerical experiments illustrate the effectiveness of the proposed method. We also compare the new method with an alternative solution via equivalent eigenvalue problems, considering accuracy as well as computational performance. The analysis is done using a parallel implementation in the SLEPc library

    The Anderson model of localization: a challenge for modern eigenvalue methods

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    We present a comparative study of the application of modern eigenvalue algorithms to an eigenvalue problem arising in quantum physics, namely, the computation of a few interior eigenvalues and their associated eigenvectors for the large, sparse, real, symmetric, and indefinite matrices of the Anderson model of localization. We compare the Lanczos algorithm in the 1987 implementation of Cullum and Willoughby with the implicitly restarted Arnoldi method coupled with polynomial and several shift-and-invert convergence accelerators as well as with a sparse hybrid tridiagonalization method. We demonstrate that for our problem the Lanczos implementation is faster and more memory efficient than the other approaches. This seemingly innocuous problem presents a major challenge for all modern eigenvalue algorithms.Comment: 16 LaTeX pages with 3 figures include
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