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'

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 fast semi-direct least squares algorithm for hierarchically block separable matrices

We present a fast algorithm for linear least squares problems governed by hierarchically block separable (HBS) matrices. Such matrices are generally dense but data-sparse and can describe many important operators including those derived from asymptotically smooth radial kernels that are not too oscillatory. The algorithm is based on a recursive skeletonization procedure that exposes this sparsity and solves the dense least squares problem as a larger, equality-constrained, sparse one. It relies on a sparse QR factorization coupled with iterative weighted least squares methods. In essence, our scheme consists of a direct component, comprised of matrix compression and factorization, followed by an iterative component to enforce certain equality constraints. At most two iterations are typically required for problems that are not too ill-conditioned. For an $M \times N$ HBS matrix with $M \geq N$ having bounded off-diagonal block rank, the algorithm has optimal $\mathcal{O} (M + N)$ complexity. If the rank increases with the spatial dimension as is common for operators that are singular at the origin, then this becomes $\mathcal{O} (M + N)$ in 1D, $\mathcal{O} (M + N^{3/2})$ in 2D, and $\mathcal{O} (M + N^{2})$ in 3D. We illustrate the performance of the method on both over- and underdetermined systems in a variety of settings, with an emphasis on radial basis function approximation and efficient updating and downdating.Comment: 24 pages, 8 figures, 6 tables; to appear in SIAM J. Matrix Anal. App

Sparse Approximate Multifrontal Factorization with Butterfly Compression for High Frequency Wave Equations

We present a fast and approximate multifrontal solver for large-scale sparse linear systems arising from finite-difference, finite-volume or finite-element discretization of high-frequency wave equations. The proposed solver leverages the butterfly algorithm and its hierarchical matrix extension for compressing and factorizing large frontal matrices via graph-distance guided entry evaluation or randomized matrix-vector multiplication-based schemes. Complexity analysis and numerical experiments demonstrate $\mathcal{O}(N\log^2 N)$ computation and $\mathcal{O}(N)$ memory complexity when applied to an $N\times N$ sparse system arising from 3D high-frequency Helmholtz and Maxwell problems

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