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'

Resilience for Asynchronous Iterative Methods for Sparse Linear Systems

Large scale simulations are used in a variety of application areas in science and engineering to help forward the progress of innovation. Many spend the vast majority of their computational time attempting to solve large systems of linear equations; typically arising from discretizations of partial differential equations that are used to mathematically model various phenomena. The algorithms used to solve these problems are typically iterative in nature, and making efficient use of computational time on High Performance Computing (HPC) clusters involves constantly improving these iterative algorithms. Future HPC platforms are expected to encounter three main problem areas: scalability of code, reliability of hardware, and energy efficiency of the platform. The HPC resources that are expected to run the large programs are planned to consist of billions of processing units that come from more traditional multicore processors as well as a variety of different hardware accelerators. This growth in parallelism leads to the presence of all three problems. Previously, work on algorithm development has focused primarily on creating fault tolerance mechanisms for traditional iterative solvers. Recent work has begun to revisit using asynchronous methods for solving large scale applications, and this dissertation presents research into fault tolerance for fine-grained methods that are asynchronous in nature. Classical convergence results for asynchronous methods are revisited and modified to account for the possible occurrence of a fault, and a variety of techniques for recovery from the effects of a fault are proposed. Examples of how these techniques can be used are shown for various algorithms, including an analysis of a fine-grained algorithm for computing incomplete factorizations. Lastly, numerous modeling and simulation tools for the further construction of iterative algorithms for HPC applications are developed, including numerical models for simulating faults and a simulation framework that can be used to extrapolate the performance of algorithms towards future HPC systems

An Experimental Study of Two-Level Schwarz Domain Decomposition Preconditioners on GPUs

The generalized Dryja--Smith--Widlund (GDSW) preconditioner is a two-level overlapping Schwarz domain decomposition (DD) preconditioner that couples a classical one-level overlapping Schwarz preconditioner with an energy-minimizing coarse space. When used to accelerate the convergence rate of Krylov subspace iterative methods, the GDSW preconditioner provides robustness and scalability for the solution of sparse linear systems arising from the discretization of a wide range of partial different equations. In this paper, we present FROSch (Fast and Robust Schwarz), a domain decomposition solver package which implements GDSW-type preconditioners for both CPU and GPU clusters. To improve the solver performance on GPUs, we use a novel decomposition to run multiple MPI processes on each GPU, reducing both solver's computational and storage costs and potentially improving the convergence rate. This allowed us to obtain competitive or faster performance using GPUs compared to using CPUs alone. We demonstrate the performance of FROSch on the Summit supercomputer with NVIDIA V100 GPUs, where we used NVIDIA Multi-Process Service (MPS) to implement our decomposition strategy. The solver has a wide variety of algorithmic and implementation choices, which poses both opportunities and challenges for its GPU implementation. We conduct a thorough experimental study with different solver options including the exact or inexact solution of the local overlapping subdomain problems on a GPU. We also discuss the effect of using the iterative variant of the incomplete LU factorization and sparse-triangular solve as the approximate local solver, and using lower precision for computing the whole FROSch preconditioner. Overall, the solve time was reduced by factors of about $2\times$ using GPUs, while the GPU acceleration of the numerical setup time depend on the solver options and the local matrix sizes.Comment: Accepted for publication in IPDPS'2

Fine-grained bit-flip protection for relaxation methods

[EN] Resilience is considered a challenging under-addressed issue that the high performance computing community (HPC) will have to face in order to produce reliable Exascale systems by the beginning of the next decade. As part of a push toward a resilient HPC ecosystem, in this paper we propose an error-resilient iterative solver for sparse linear systems based on stationary component-wise relaxation methods. Starting from a plain implementation of the Jacobi iteration, our approach introduces a low-cost component-wise technique that detects bit-flips, rejecting some component updates, and turning the initial synchronized solver into an asynchronous iteration. Our experimental study with sparse incomplete factorizations from a collection of real-world applications, and a practical GPU implementation, exposes the convergence delay incurred by the fault-tolerant implementation and its practical performance.This material is based upon work supported in part by the U.S. Department of Energy (Award Number DE-SC-0010042) and NVIDIA. E. S. Quintana-Orti was supported by project CICYT TIN2014-53495-R of MINECO and FEDER.Anzt, H.; Dongarra, J.; Quintana Ortí, ES. (2019). Fine-grained bit-flip protection for relaxation methods. Journal of Computational Science. 36:1-11. https://doi.org/10.1016/j.jocs.2016.11.013S11136Chow, E., & Patel, A. (2015). Fine-Grained Parallel Incomplete LU Factorization. SIAM Journal on Scientific Computing, 37(2), C169-C193. doi:10.1137/140968896Karpuzcu, U. R., Kim, N. S., & Torrellas, J. (2013). Coping with Parametric Variation at Near-Threshold Voltages. IEEE Micro, 33(4), 6-14. doi:10.1109/mm.2013.71Bronevetsky, G., & de Supinski, B. (2008). Soft error vulnerability of iterative linear algebra methods. Proceedings of the 22nd annual international conference on Supercomputing - ICS ’08. doi:10.1145/1375527.1375552Sao, P., & Vuduc, R. (2013). Self-stabilizing iterative solvers. Proceedings of the Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems - ScalA ’13. doi:10.1145/2530268.2530272Calhoun, J., Snir, M., Olson, L., & Garzaran, M. (2015). Understanding the Propagation of Error Due to a Silent Data Corruption in a Sparse Matrix Vector Multiply. 2015 IEEE International Conference on Cluster Computing. doi:10.1109/cluster.2015.101Chazan, D., & Miranker, W. (1969). Chaotic relaxation. Linear Algebra and its Applications, 2(2), 199-222. doi:10.1016/0024-3795(69)90028-7Frommer, A., & Szyld, D. B. (2000). On asynchronous iterations. Journal of Computational and Applied Mathematics, 123(1-2), 201-216. doi:10.1016/s0377-0427(00)00409-xDuff, I. S., & Meurant, G. A. (1989). The effect of ordering on preconditioned conjugate gradients. BIT, 29(4), 635-657. doi:10.1007/bf01932738Aliaga, J. I., Barreda, M., Dolz, M. F., Martín, A. F., Mayo, R., & Quintana-Ortí, E. S. (2014). Assessing the impact of the CPU power-saving modes on the task-parallel solution of sparse linear systems. Cluster Computing, 17(4), 1335-1348. doi:10.1007/s10586-014-0402-

Efficient parallelization strategy for real-time FE simulations

This paper introduces an efficient and generic framework for finite-element simulations under an implicit time integration scheme. Being compatible with generic constitutive models, a fast matrix assembly method exploits the fact that system matrices are created in a deterministic way as long as the mesh topology remains constant. Using the sparsity pattern of the assembled system brings about significant optimizations on the assembly stage. As a result, developed techniques of GPU-based parallelization can be directly applied with the assembled system. Moreover, an asynchronous Cholesky precondition scheme is used to improve the convergence of the system solver. On this basis, a GPU-based Cholesky preconditioner is developed, significantly reducing the data transfer between the CPU/GPU during the solving stage. We evaluate the performance of our method with different mesh elements and hyperelastic models and compare it with typical approaches on the CPU and the GPU

Providing performance portable numerics for Intel GPUs

With discrete Intel GPUs entering the high-performance computing landscape, there is an urgent need for production-ready software stacks for these platforms. In this article, we report how we enable the Ginkgo math library to execute on Intel GPUs by developing a kernel backed based on the DPC++ programming environment. We discuss conceptual differences between the CUDA and DPC++ programming models and describe workflows for simplified code conversion. We evaluate the performance of basic and advanced sparse linear algebra routines available in Ginkgo\u27s DPC++ backend in the hardware-specific performance bounds and compare against routines providing the same functionality that ship with Intel\u27s oneMKL vendor library

Resiliency in numerical algorithm design for extreme scale simulations

This work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 1023 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.Peer Reviewed"Article signat per 36 autors/es: Emmanuel Agullo, Mirco Altenbernd, Hartwig Anzt, Leonardo Bautista-Gomez, Tommaso Benacchio, Luca Bonaventura, Hans-Joachim Bungartz, Sanjay Chatterjee, Florina M. Ciorba, Nathan DeBardeleben, Daniel Drzisga, Sebastian Eibl, Christian Engelmann, Wilfried N. Gansterer, Luc Giraud, Dominik G ̈oddeke, Marco Heisig, Fabienne Jezequel, Nils Kohl, Xiaoye Sherry Li, Romain Lion, Miriam Mehl, Paul Mycek, Michael Obersteiner, Enrique S. Quintana-Ortiz, Francesco Rizzi, Ulrich Rude, Martin Schulz, Fred Fung, Robert Speck, Linda Stals, Keita Teranishi, Samuel Thibault, Dominik Thonnes, Andreas Wagner and Barbara Wohlmuth"Postprint (author's final draft