An efficient multi-core implementation of a novel HSS-structured multifrontal solver using randomized sampling

We present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination, and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which have low-rank off-diagonal blocks, to approximate the frontal matrices. For HSS matrix construction, a randomized sampling algorithm is used together with interpolative decompositions. The combination of the randomized compression with a fast ULV HSS factorization leads to a solver with lower computational complexity than the standard multifrontal method for many applications, resulting in speedups up to 7 fold for problems in our test suite. The implementation targets many-core systems by using task parallelism with dynamic runtime scheduling. Numerical experiments show performance improvements over state-of-the-art sparse direct solvers. The implementation achieves high performance and good scalability on a range of modern shared memory parallel systems, including the Intel Xeon Phi (MIC). The code is part of a software package called STRUMPACK -- STRUctured Matrices PACKage, which also has a distributed memory component for dense rank-structured matrices

A distributed-memory package for dense Hierarchically Semi-Separable matrix computations using randomization

We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable representations (HSS). Such matrices appear in many applications, e.g., finite element methods, boundary element methods, etc. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, relies on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. This work is part of a more global effort, the STRUMPACK (STRUctured Matrices PACKage) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver

Preparing sparse solvers for exascale computing.

Sparse solvers provide essential functionality for a wide variety of scientific applications. Highly parallel sparse solvers are essential for continuing advances in high-fidelity, multi-physics and multi-scale simulations, especially as we target exascale platforms. This paper describes the challenges, strategies and progress of the US Department of Energy Exascale Computing project towards providing sparse solvers for exascale computing platforms. We address the demands of systems with thousands of high-performance node devices where exposing concurrency, hiding latency and creating alternative algorithms become essential. The efforts described here are works in progress, highlighting current success and upcoming challenges. This article is part of a discussion meeting issue 'Numerical algorithms for high-performance computational science'

A Distributed-Memory Randomized Structured Multifrontal Method for Sparse Direct Solutions

We design a distributed-memory randomized structured multifrontal solver for large sparse matrices. Two layers of hierarchical tree parallelism are used. A sequence of innovative parallel methods are developed for randomized structured frontal matrix operations, structured update matrix computation, skinny extend-add operation, selected entry extraction from structured matrices, etc. Several strategies are proposed to reuse computations and reduce communications. Unlike an earlier parallel structured multifrontal method that still involves large dense intermediate matrices, our parallel solver performs the major operations in terms of skinny matrices and fully structured forms. It thus significantly enhances the efficiency and scalability. Systematic communication cost analysis shows that the numbers of words are reduced by factors of about $O(\sqrt{n}/r)$ in two dimensions and about $O(n^{2/3}/r)$ in three dimensions, where $n$ is the matrix size and $r$ is an off-diagonal numerical rank bound of the intermediate frontal matrices. The efficiency and parallel performance are demonstrated with the solution of some large discretized PDEs in two and three dimensions. Nice scalability and significant savings in the cost and memory can be observed from the weak and strong scaling tests, especially for some 3D problems discretized on unstructured meshes

SlabLU: A Two-Level Sparse Direct Solver for Elliptic PDEs

The paper describes a sparse direct solver for the linear systems that arise from the discretization of an elliptic PDE on a two dimensional domain. The solver is designed to reduce communication costs and perform well on GPUs; it uses a two-level framework, which is easier to implement and optimize than traditional multi-frontal schemes based on hierarchical nested dissection orderings. The scheme decomposes the domain into thin subdomains, or "slabs". Within each slab, a local factorization is executed that exploits the geometry of the local domain. A global factorization is then obtained through the LU factorization of a block-tridiagonal reduced coefficient matrix. The solver has complexity $O(N^{5/3})$ for the factorization step, and $O(N^{7/6})$ for each solve once the factorization is completed. The solver described is compatible with a range of different local discretizations, and numerical experiments demonstrate its performance for regular discretizations of rectangular and curved geometries. The technique becomes particularly efficient when combined with very high-order convergent multi-domain spectral collocation schemes. With this discretization, a Helmholtz problem on a domain of size $1000 \lambda \times 1000 \lambda$ (for which N=100 \mbox{M}) is solved in 15 minutes to 6 correct digits on a high-powered desktop with GPU acceleration

Analytical Methods for Structured Matrix Computations

The design of fast algorithms is not only about achieving faster speeds but also about retaining the ability to control the error and numerical stability. This is crucial to the reliability of computed numerical solutions. This dissertation studies topics related to structured matrix computations with an emphasis on their numerical analysis aspects and algorithms. The methods discussed here are all based on rich analytical results that are mathematically justified. In chapter 2, we present a series of comprehensive error analyses to an analytical matrix compression method and it serves as a theoretical explanation of the proxy point method. These results are also important instructions on optimizing the performance. In chapter 3, we propose a non-Hermitian eigensolver by combining HSS matrix techniques with a contour-integral based method. Moreover, probabilistic analysis enables further acceleration of the method in addition to manipulating the HSS representation algebraically. An application of the HSS matrix is discussed in chapter 4 where we design a structured preconditioner for linear systems generated by AIIM. We improve the numerical stability for the matrix-free HSS construction process and make some additional modifications tailored to this particular problem