Reproducibility of parallel preconditioned conjugate gradient in hybrid programming environments

[EN] The Preconditioned Conjugate Gradient method is often employed for the solution of linear systems of equations arising in numerical simulations of physical phenomena. While being widely used, the solver is also known for its lack of accuracy while computing the residual. In this article, we propose two algorithmic solutions that originate from the ExBLAS project to enhance the accuracy of the solver as well as to ensure its reproducibility in a hybrid MPI + OpenMP tasks programming environment. One is based on ExBLAS and preserves every bit of information until the final rounding, while the other relies upon floating-point expansions and, hence, expands the intermediate precision. Instead of converting the entire solver into its ExBLAS-related implementation, we identify those parts that violate reproducibility/non-associativity, secure them, and combine this with the sequential executions. These algorithmic strategies are reinforced with programmability suggestions to assure deterministic executions. Finally, we verify these approaches on two modern HPC systems: both versions deliver reproducible number of iterations, residuals, direct errors, and vector-solutions for the overhead of less than 37.7% on 768 cores.The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This research was partially supported by the European Union's Horizon 2020 research, innovation program under the Marie Sklodowska-Curie grant agreement via the Robust project No. 842528 as well as the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the H2020 EC RIA Programme; in particular, the author gratefully acknowledges the support of Vicenc comma Beltran and the computer resources and technical support provided by BSC. The researchers from Universitat Jaume I (UJI) and Universitat Polit ' ecnica de Valencia (UPV) were supported by MINECO project TIN2017-82972-R. Maria Barreda was also supported by the POSDOC-A/2017/11 project from the Universitat Jaume I.Iakymchuk, R.; Barreda Vayá, M.; Graillat, S.; Aliaga, JI.; Quintana Ortí, ES. (2020). Reproducibility of parallel preconditioned conjugate gradient in hybrid programming environments. International Journal of High Performance Computing Applications. 34(5):502-518. https://doi.org/10.1177/1094342020932650S502518345Aliaga, J. I., Barreda, M., Flegar, G., Bollhöfer, M., & Quintana-Ortí, E. S. (2017). Communication in task-parallel ILU-preconditioned CG solvers using MPI + OmpSs. Concurrency and Computation: Practice and Experience, 29(21), e4280. doi:10.1002/cpe.4280Bailey, D. H. (2013). 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The Accurate Solution of Certain Continuous Problems Using Only Single Precision

A typical approach for finding the approximate solution of a continuous problem is through discretization with meshsize h such that the truncation error goes to zero with h. The discretization problem is solved in floating point arithmetic. Rounding-errors spoil the theoretical convergence and the error may even tend to infinity. In this paper we present algorithms of moderate cost which use only single precision and which compute the approximate solution of the integration and elliptic equation problems with full accuracy. These algorithms are based on the modified Gill-Møller algorithm for summation of very many terms, iterative refinement of a linear system with a special algorithm for the computation of residuals in single precision and on a property of floating point subtraction of nearby numbers

Reproducible SUmmation under HUB Format

Version diferente del paper presentado en el congresoFloating point reproducibility is a property claimed by programmers and end users. Half-Unit-Biased (HUB) is a new representation format in which the round to nearest is carried out by truncation, preventing any carry propagation and saving time and area. In this paper we study the reproducible summation of HUB numbers by using a errorfree vector transformation technique, providing both a specific architecture and the usage of combined HUB/Standard floating point adders to achieve a reproducible resultUniversidad de Málaga. Campus de Excelencia Internacional Andalucía Tech