A Survey of Software for Sparse Eigenvalue Problems
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CUDA 6 and Beyond
MUMPS USERS DAYS JUNE 1ST / 2ND 2017 Programming heterogeneous architectures with libraries: A survey of NVIDIA linear algebra libraries François Courteille |Principal Solutions Architect, NVIDIA |[email protected] ACKNOWLEDGEMENTS Joe Eaton , NVIDIA Ty McKercher , NVIDIA Lung Sheng Chien , NVIDIA Nikolay Markovskiy , NVIDIA Stan Posey , NVIDIA Steve Rennich , NVIDIA Dave Miles , NVIDIA Peng Wang, NVIDIA Questions: [email protected] 2 AGENDA Prolegomena NVIDIA Solutions for Accelerated Linear Algebra Libraries performance on Pascal Rapid software development for heterogeneous architecture 3 PROLEGOMENA 124 NVIDIA Gaming VR AI & HPC Self-Driving Cars GPU Computing 5 ONE ARCHITECTURE BUILT FOR BOTH DATA SCIENCE & COMPUTATIONAL SCIENCE AlexNet Training Performance 70x Pascal [CELLR ANGE] 60x 16nm FinFET 50x 40x CoWoS HBM2 30x 20x [CELLR ANGE] NVLink 10x [CELLR [CELLR ANGE] ANGE] 0x 2013 2014 2015 2016 cuDNN Pascal & Volta NVIDIA DGX-1 NVIDIA DGX SATURNV 65x in 3 Years 6 7 8 8 9 NVLINK TO CPU IBM Power Systems Server S822LC (codename “Minsky”) DDR4 DDR4 2x IBM Power8+ CPUs and 4x P100 GPUs 115GB/s 80 GB/s per GPU bidirectional for peer traffic IB P8+ CPU P8+ CPU IB 80 GB/s per GPU bidirectional to CPU P100 P100 P100 P100 115 GB/s CPU Memory Bandwidth Direct Load/store access to CPU Memory High Speed Copy Engines for bulk data movement 1615 UNIFIED MEMORY ON PASCAL Large datasets, Simple programming, High performance CUDA 8 Enable Large Oversubscribe GPU memory Pascal Data Models Allocate up to system memory size CPU GPU Higher Demand -
Arxiv:1911.09220V2 [Cs.MS] 13 Jul 2020
MFEM: A MODULAR FINITE ELEMENT METHODS LIBRARY ROBERT ANDERSON, JULIAN ANDREJ, ANDREW BARKER, JAMIE BRAMWELL, JEAN- SYLVAIN CAMIER, JAKUB CERVENY, VESELIN DOBREV, YOHANN DUDOUIT, AARON FISHER, TZANIO KOLEV, WILL PAZNER, MARK STOWELL, VLADIMIR TOMOV Lawrence Livermore National Laboratory, Livermore, USA IDO AKKERMAN Delft University of Technology, Netherlands JOHANN DAHM IBM Research { Almaden, Almaden, USA DAVID MEDINA Occalytics, LLC, Houston, USA STEFANO ZAMPINI King Abdullah University of Science and Technology, Thuwal, Saudi Arabia Abstract. MFEM is an open-source, lightweight, flexible and scalable C++ library for modular finite element methods that features arbitrary high-order finite element meshes and spaces, support for a wide variety of dis- cretization approaches and emphasis on usability, portability, and high-performance computing efficiency. MFEM's goal is to provide application scientists with access to cutting-edge algorithms for high-order finite element mesh- ing, discretizations and linear solvers, while enabling researchers to quickly and easily develop and test new algorithms in very general, fully unstructured, high-order, parallel and GPU-accelerated settings. In this paper we describe the underlying algorithms and finite element abstractions provided by MFEM, discuss the software implementation, and illustrate various applications of the library. arXiv:1911.09220v2 [cs.MS] 13 Jul 2020 1. Introduction The Finite Element Method (FEM) is a powerful discretization technique that uses general unstructured grids to approximate the solutions of many partial differential equations (PDEs). It has been exhaustively studied, both theoretically and in practice, in the past several decades [1, 2, 3, 4, 5, 6, 7, 8]. MFEM is an open-source, lightweight, modular and scalable software library for finite elements, featuring arbitrary high-order finite element meshes and spaces, support for a wide variety of discretization approaches and emphasis on usability, portability, and high-performance computing (HPC) efficiency [9]. -
Efficient Algorithms for High-Dimensional Eigenvalue
Efficient Algorithms for High-dimensional Eigenvalue Problems by Zhe Wang Department of Mathematics Duke University Date: Approved: Jianfeng Lu, Advisor Xiuyuan Cheng Jonathon Mattingly Weitao Yang Dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Mathematics in the Graduate School of Duke University 2020 ABSTRACT Efficient Algorithms for High-dimensional Eigenvalue Problems by Zhe Wang Department of Mathematics Duke University Date: Approved: Jianfeng Lu, Advisor Xiuyuan Cheng Jonathon Mattingly Weitao Yang An abstract of a dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Mathematics in the Graduate School of Duke University 2020 Copyright © 2020 by Zhe Wang All rights reserved Abstract The eigenvalue problem is a traditional mathematical problem and has a wide appli- cations. Although there are many algorithms and theories, it is still challenging to solve the leading eigenvalue problem of extreme high dimension. Full configuration interaction (FCI) problem in quantum chemistry is such a problem. This thesis tries to understand some existing algorithms of FCI problem and propose new efficient algorithms for the high-dimensional eigenvalue problem. In more details, we first es- tablish a general framework of inexact power iteration and establish the convergence theorem of full configuration interaction quantum Monte Carlo (FCIQMC) and fast randomized iteration (FRI). Second, we reformulate the leading eigenvalue problem as an optimization problem, then compare the show the convergence of several coor- dinate descent methods (CDM) to solve the leading eigenvalue problem. Third, we propose a new efficient algorithm named Coordinate descent FCI (CDFCI) based on coordinate descent methods to solve the FCI problem, which produces some state-of- the-art results. -
Accelerating the LOBPCG Method on Gpus Using a Blocked Sparse Matrix Vector Product
Accelerating the LOBPCG method on GPUs using a blocked Sparse Matrix Vector Product Hartwig Anzt and Stanimire Tomov and Jack Dongarra Innovative Computing Lab University of Tennessee Knoxville, USA Email: [email protected], [email protected], [email protected] Abstract— the computing power of today’s supercomputers, often accel- erated by coprocessors like graphics processing units (GPUs), This paper presents a heterogeneous CPU-GPU algorithm design and optimized implementation for an entire sparse iter- becomes challenging. ative eigensolver – the Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) – starting from low-level GPU While there exist numerous efforts to adapt iterative lin- data structures and kernels to the higher-level algorithmic choices ear solvers like Krylov subspace methods to coprocessor and overall heterogeneous design. Most notably, the eigensolver technology, sparse eigensolvers have so far remained out- leverages the high-performance of a new GPU kernel developed side the main focus. A possible explanation is that many for the simultaneous multiplication of a sparse matrix and a of those combine sparse and dense linear algebra routines, set of vectors (SpMM). This is a building block that serves which makes porting them to accelerators more difficult. Aside as a backbone for not only block-Krylov, but also for other from the power method, algorithms based on the Krylov methods relying on blocking for acceleration in general. The subspace idea are among the most commonly used general heterogeneous LOBPCG developed here reveals the potential of eigensolvers [1]. When targeting symmetric positive definite this type of eigensolver by highly optimizing all of its components, eigenvalue problems, the recently developed Locally Optimal and can be viewed as a benchmark for other SpMM-dependent applications. -
A Parallel Lanczos Algorithm for Eigensystem Calculation
A Parallel Lanczos Algorithm for Eigensystem Calculation Hans-Peter Kersken / Uwe Küster Eigenvalue problems arise in many fields of physics and engineering science for example in structural engineering from prediction of dynamic stability of structures or vibrations of a fluid in a closed cavity. Their solution consumes a large amount of memory and CPU time if more than very few (1-5) vibrational modes are desired. Both make the problem a natural candidate for parallel processing. Here we shall present some aspects of the solution of the generalized eigenvalue problem on parallel architectures with distributed memory. The research was carried out as a part of the EC founded project ACTIVATE. This project combines various activities to increase the performance vibro-acoustic software. It brings together end users form space, aviation, and automotive industry with software developers and numerical analysts. Introduction The algorithm we shall describe in the next sections is based on the Lanczos algorithm for solving large sparse eigenvalue problems. It became popular during the past two decades because of its superior convergence properties compared to more traditional methods like inverse vector iteration. Some experiments with an new algorithm described in [Bra97] showed that it is competitive with the Lanczos algorithm only if very few eigenpairs are needed. Therefore we decided to base our implementation on the Lanczos algorithm. However, when implementing the Lanczos algorithm one has to pay attention to some subtle algorithmic details. A state of the art algorithm is described in [Gri94]. On parallel architectures further problems arise concerning the robustness of the algorithm. We implemented the algorithm almost entirely by using numerical libraries. -
MFEM: a Modular Finite Element Methods Library
MFEM: A Modular Finite Element Methods Library Robert Anderson1, Andrew Barker1, Jamie Bramwell1, Jakub Cerveny2, Johann Dahm3, Veselin Dobrev1,YohannDudouit1, Aaron Fisher1,TzanioKolev1,MarkStowell1,and Vladimir Tomov1 1Lawrence Livermore National Laboratory 2University of West Bohemia 3IBM Research July 2, 2018 Abstract MFEM is a free, lightweight, flexible and scalable C++ library for modular finite element methods that features arbitrary high-order finite element meshes and spaces, support for a wide variety of discretization approaches and emphasis on usability, portability, and high-performance computing efficiency. Its mission is to provide application scientists with access to cutting-edge algorithms for high-order finite element meshing, discretizations and linear solvers. MFEM also enables researchers to quickly and easily develop and test new algorithms in very general, fully unstructured, high-order, parallel settings. In this paper we describe the underlying algorithms and finite element abstractions provided by MFEM, discuss the software implementation, and illustrate various applications of the library. Contents 1 Introduction 3 2 Overview of the Finite Element Method 4 3Meshes 9 3.1 Conforming Meshes . 10 3.2 Non-Conforming Meshes . 11 3.3 NURBS Meshes . 12 3.4 Parallel Meshes . 12 3.5 Supported Input and Output Formats . 13 1 4 Finite Element Spaces 13 4.1 FiniteElements....................................... 14 4.2 DiscretedeRhamComplex ................................ 16 4.3 High-OrderSpaces ..................................... 17 4.4 Visualization . 18 5 Finite Element Operators 18 5.1 DiscretizationMethods................................... 18 5.2 FiniteElementLinearSystems . 19 5.3 Operator Decomposition . 23 5.4 High-Order Partial Assembly . 25 6 High-Performance Computing 27 6.1 Parallel Meshes, Spaces, and Operators . 27 6.2 Scalable Linear Solvers . -
Implicitly Restarted Arnoldi/Lanczos Methods for Large Scale Eigenvalue Calculations
https://ntrs.nasa.gov/search.jsp?R=19960048075 2020-06-16T03:31:45+00:00Z NASA Contractor Report 198342 /" ICASE Report No. 96-40 J ICA IMPLICITLY RESTARTED ARNOLDI/LANCZOS METHODS FOR LARGE SCALE EIGENVALUE CALCULATIONS Danny C. Sorensen NASA Contract No. NASI-19480 May 1996 Institute for Computer Applications in Science and Engineering NASA Langley Research Center Hampton, VA 23681-0001 Operated by Universities Space Research Association National Aeronautics and Space Administration Langley Research Center Hampton, Virginia 23681-0001 IMPLICITLY RESTARTED ARNOLDI/LANCZOS METHODS FOR LARGE SCALE EIGENVALUE CALCULATIONS Danny C. Sorensen 1 Department of Computational and Applied Mathematics Rice University Houston, TX 77251 sorensen@rice, edu ABSTRACT Eigenvalues and eigenfunctions of linear operators are important to many areas of ap- plied mathematics. The ability to approximate these quantities numerically is becoming increasingly important in a wide variety of applications. This increasing demand has fu- eled interest in the development of new methods and software for the numerical solution of large-scale algebraic eigenvalue problems. In turn, the existence of these new methods and software, along with the dramatically increased computational capabilities now avail- able, has enabled the solution of problems that would not even have been posed five or ten years ago. Until very recently, software for large-scale nonsymmetric problems was virtually non-existent. Fortunately, the situation is improving rapidly. The purpose of this article is to provide an overview of the numerical solution of large- scale algebraic eigenvalue problems. The focus will be on a class of methods called Krylov subspace projection methods. The well-known Lanczos method is the premier member of this class. -
Exact Diagonalization of Quantum Lattice Models on Coprocessors
Exact diagonalization of quantum lattice models on coprocessors T. Siro∗, A. Harju Aalto University School of Science, P.O. Box 14100, 00076 Aalto, Finland Abstract We implement the Lanczos algorithm on an Intel Xeon Phi coprocessor and compare its performance to a multi-core Intel Xeon CPU and an NVIDIA graphics processor. The Xeon and the Xeon Phi are parallelized with OpenMP and the graphics processor is programmed with CUDA. The performance is evaluated by measuring the execution time of a single step in the Lanczos algorithm. We study two quantum lattice models with different particle numbers, and conclude that for small systems, the multi-core CPU is the fastest platform, while for large systems, the graphics processor is the clear winner, reaching speedups of up to 7.6 compared to the CPU. The Xeon Phi outperforms the CPU with sufficiently large particle number, reaching a speedup of 2.5. Keywords: Tight binding, Hubbard model, exact diagonalization, GPU, CUDA, MIC, Xeon Phi 1. Introduction hopping amplitude is denoted by t. The tight-binding model describes free electrons hopping around a lattice, and it gives a In recent years, there has been tremendous interest in utiliz- crude approximation of the electronic properties of a solid. The ing coprocessors in scientific computing, including condensed model can be made more realistic by adding interactions, such matter physics[1, 2, 3, 4]. Most of the work has been done as on-site repulsion, which results in the well-known Hubbard on graphics processing units (GPU), resulting in impressive model[9]. In our basis, however, such interaction terms are di- speedups compared to CPUs in problems that exhibit high data- agonal, rendering their effect on the computational complexity parallelism and benefit from the high throughput of the GPU. -
XAMG: a Library for Solving Linear Systems with Multiple Right-Hand
XAMG: A library for solving linear systems with multiple right-hand side vectors B. Krasnopolsky∗, A. Medvedev∗∗ Institute of Mechanics, Lomonosov Moscow State University, 119192 Moscow, Michurinsky ave. 1, Russia Abstract This paper presents the XAMG library for solving large sparse systems of linear algebraic equations with multiple right-hand side vectors. The library specializes but is not limited to the solution of linear systems obtained from the discretization of elliptic differential equations. A corresponding set of numerical methods includes Krylov subspace, algebraic multigrid, Jacobi, Gauss-Seidel, and Chebyshev iterative methods. The parallelization is im- plemented with MPI+POSIX shared memory hybrid programming model, which introduces a three-level hierarchical decomposition using the corre- sponding per-level synchronization and communication primitives. The code contains a number of optimizations, including the multilevel data segmen- tation, compression of indices, mixed-precision floating-point calculations, arXiv:2103.07329v1 [cs.MS] 12 Mar 2021 vector status flags, and others. The XAMG library uses the program code of the well-known hypre library to construct the multigrid matrix hierar- chy. The XAMG’s own implementation for the solve phase of the iterative methods provides up to a twofold speedup compared to hypre for the tests ∗E-mail address: [email protected] ∗∗E-mail address: [email protected] Preprint submitted to Elsevier March 15, 2021 performed. Additionally, XAMG provides extended functionality to solve systems with multiple right-hand side vectors. Keywords: systems of linear algebraic equations, Krylov subspace iterative methods, algebraic multigrid method, multiple right-hand sides, hybrid programming model, MPI+POSIX shared memory Nr. -
An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers
NU~IERICAL ANALYSIS PROJECT AUGUST 1992 MANUSCRIPT ,NA-92-09 An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers . bY David R. Mackay and Kincho H. Law NUMERICAL ANALYSIS PROJECT COMPUTER SCIENCE DEPARTMENT STANFORD UNIVERSITY STANFORD, CALIFORNIA 94305 An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers’ David R. Mackay and Kincho H. Law Department of Civil Engineering Stanford University Stanford, CA 94305-4020 Abstract This paper describes a parallel implementation of a generalized Lanczos procedure for struc- tural dynamic analysis on a distributed memory parallel computer. One major cost of the gener- alized Lanczos procedure is the factorization of the (shifted) stiffness matrix and the forward and backward solution of triangular systems. In this paper, we discuss load assignment of a sparse matrix and propose a strategy for inverting the principal block submatrix factors to facilitate the forward and backward solution of triangular systems. We also discuss the different strategies in the implementation of mass matrix-vector multiplication on parallel computer and how they are used in the Lanczos procedure. The Lanczos procedure implemented includes partial and external selective reorthogonalizations and spectral shifts. Experimental results are presented to illustrate the effectiveness of the parallel generalized Lanczos procedure. The issues of balancing the com- putations among the basic steps of the Lanczos procedure on distributed memory computers are discussed. IThis work is sponsored by the National Science Foundation grant number ECS-9003107, and the Army Research Office grant number DAAL-03-91-G-0038. Contents List of Figures ii . -
Accelerated Stochastic Power Iteration
Accelerated Stochastic Power Iteration CHRISTOPHER DE SAy BRYAN HEy IOANNIS MITLIAGKASy CHRISTOPHER RE´ y PENG XU∗ yDepartment of Computer Science, Stanford University ∗Institute for Computational and Mathematical Engineering, Stanford University cdesa,bryanhe,[email protected], [email protected], [email protected] July 11, 2017 Abstract Principal component analysis (PCA) is one of the most powerful tools in machine learning. The simplest method for PCA, the power iteration, requires O(1=∆) full-data passes to recover the principal component of a matrix withp eigen-gap ∆. Lanczos, a significantly more complex method, achieves an accelerated rate of O(1= ∆) passes. Modern applications, however, motivate methods that only ingest a subset of available data, known as the stochastic setting. In the online stochastic setting, simple 2 2 algorithms like Oja’s iteration achieve the optimal sample complexity O(σ =p∆ ). Unfortunately, they are fully sequential, and also require O(σ2=∆2) iterations, far from the O(1= ∆) rate of Lanczos. We propose a simple variant of the power iteration with an added momentum term, that achieves both the optimal sample and iteration complexity.p In the full-pass setting, standard analysis shows that momentum achieves the accelerated rate, O(1= ∆). We demonstrate empirically that naively applying momentum to a stochastic method, does not result in acceleration. We perform a novel, tight variance analysis that reveals the “breaking-point variance” beyond which this acceleration does not occur. By combining this insight with modern variance reduction techniques, we construct stochastic PCAp algorithms, for the online and offline setting, that achieve an accelerated iteration complexity O(1= ∆). -
Numerical Linear Algebra Program Lecture 4 Basic Methods For
Program Lecture 4 Numerical Linear Algebra • Basic methods for eigenproblems. Basic iterative methods • Power method • Shift-and-invert Power method • QR algorithm • Basic iterative methods for linear systems • Richardson’s method • Jacobi, Gauss-Seidel and SOR • Iterative refinement Gerard Sleijpen and Martin van Gijzen • Steepest decent and the Minimal residual method October 5, 2016 1 October 5, 2016 2 National Master Course National Master Course Delft University of Technology Basic methods for eigenproblems The Power method The eigenvalue problem The Power method is the classical method to compute in modulus largest eigenvalue and associated eigenvector of a Av = λv matrix. can not be solved in a direct way for problems of order > 4, since Multiplying with a matrix amplifies strongest the eigendirection the eigenvalues are the roots of the characteristic equation corresponding to the in modulus largest eigenvalues. det(A − λI) = 0. Successively multiplying and scaling (to avoid overflow or underflow) yields a vector in which the direction of the largest Today we will discuss two iterative methods for solving the eigenvector becomes more and more dominant. eigenproblem. October 5, 2016 3 October 5, 2016 4 National Master Course National Master Course Algorithm Convergence (1) The Power method for an n × n matrix A. Let the n eigenvalues λi with eigenvectors vi, Avi = λivi, be n ordered such that |λ1| ≥ |λ2|≥ . ≥ |λn|. u0 ∈ C is given • Assume the eigenvectors v ,..., vn form a basis. for k = 1, 2, ... 1 • Assume |λ1| > |λ2|. uk = Auk−1 Each arbitrary starting vector u0 can be written as: uk = uk/kukk2 e(k) ∗ λ = uk−1uk u0 = α1v1 + α2v2 + ..