We investigate the energy efficiency of a library designed for parallel computations with sparse matrices. The library leverages high-performance, energy-efficient Graphics Processing Unit (GPU) accelerators to enable large-scale scientific applications. Our primary development objective was to maximize parallel performance and scalability in solving sparse linear systems whose dimensions far exceed the memory capacity of a single node. To this end, we devised methods that expose a high degree of parallelism while optimizing algorithmic implementations for efficient multi-GPU usage. Previous work has already demonstrated the library’s performance efficiency on large-scale systems comprising thousands of NVIDIA GPUs, achieving improvements over state-of-the-art solutions. In this paper, we extend those results by providing energy profiles that address the growing sustainability requirements of modern HPC platforms. We present our methodology and tools for accurate runtime energy measurements of the library’s core components and discuss the findings. Our results confirm that optimizing GPU computations and minimizing data movement across memory and computing nodes reduces both time-to-solution and energy consumption. Moreover, we show that the library delivers substantial advantages over comparable software frameworks on standard benchmarks.

Linear solvers are key components in any software platform for scientific and engineering computing. The solution of large and sparse linear systems lies at the core of physics-driven numerical simulations relying on partial differential equations (PDEs) and often represents a significant bottleneck in data-driven procedures, such as scientific machine learning. In this paper, we present an efficient implementation of the preconditioned s-step Conjugate Gradient (CG) method, originally proposed by Chronopoulos and Gear in 1989, for large clusters of Nvidia GPU-accelerated computing nodes. The method, often referred to as communication-reduced or communication-avoiding CG, reduces global synchronizations and data communication steps compared to the standard approach, enhancing strong and weak scalability on parallel computers. Our main contribution is the design of a parallel solver that fully exploits the aggregation of low-granularity operations inherent to the s-step CG method to leverage the high throughput of GPU accelerators. Additionally, it applies overlap between data communication and computation in the multi-GPU sparse matrix-vector product. Experiments on classic benchmark datasets, derived from the discretization of the Poisson PDE, demonstrate the potential of the method.

The TEXTAROSSA project aims to bridge the technology gaps that exascale computing systems will face in the near future in order to overcome their performance and energy efficiency challenges. This project provides solutions for improved energy efficiency and thermal control, seamless integration of heterogeneous accelerators in HPC multi-node platforms, and new arithmetic methods. Challenges are tacked through a co-design approach to heterogeneous HPC solutions, supported by the integration and extension of HW and SW IPs, programming models, and tools derived from European research.

Abstract In this paper, we describe an upgrade of the Alya code with up-to-date parallel linear solvers capable of achieving reliability, efficiency and scalability in the computation of the pressure field at each time step of the numerical procedure for solving a Large Eddy Simulation formulation of the incompressible Navier–Stokes equations. We developed a software module in the Alya’s kernel to interface the libraries included in the current version of , a framework for the iterative solution of sparse linear systems, on parallel distributed-memory computers, by Krylov methods coupled to Algebraic MultiGrid preconditioners. The Toolkit has undergone various extensions within the EoCoE-II project with the primary goal of facing the exascale challenge. Results on a realistic benchmark for airflow simulations in wind farm applications show that the solvers significantly outperform the original versions of the Conjugate Gradient method available in the Alya’s kernel in terms of scalability and parallel efficiency and represent a very promising software layer to move the Alya code toward exascale.

We describe preliminary results from a multi-objective graph matching algorithm, in the coarsening step of an aggregation-based Algebraic MultiGrid (AMG) preconditioner, for solving large and sparse linear systems of equations on high-end parallel computers. We have two objectives. First, we wish to improve the convergence behavior of the AMG method when applied to highly anisotropic problems. Second, we wish to extend the parallel package PSCToolkit to exploit multi-threaded parallelism at the node level on multi-core processors. Our matching proposal balances the need to simultaneously compute high weights and large cardinalities by a new formulation of the weighted matching problem combining both these objectives using a parameter$\lambda$. We compute the matching by a parallel$2/3-\varepsilon$-approximation algorithm for maximum weight matchings. Results with the new matching algorithm show that for a suitable choice of the parameter$\lambda$we compute effective preconditioners in the presence of anisotropy, i.e., smaller solve times, setup times, iterations counts, and operator complexity.

We present and release in open source format a sparse linear solver which efficiently exploits heterogeneous parallel computers. The solver can be easily integrated into scientific applications that need to solve large and sparse linear systems on modern parallel computers made of hybrid nodes hosting Nvidia Graphics Processing Unit (GPU) accelerators. The work extends previous efforts of some of the authors in the exploitation of a single GPU accelerator and proposes an implementation, based on the hybrid MPI-CUDA software environment, of a Krylov-type linear solver relying on an efficient Algebraic MultiGrid (AMG) preconditioner already available in theBootCMatchGlibrary. Our design for the hybrid implementation has been driven by the best practices for minimizing data communication overhead when multiple GPUs are employed, yet preserving the efficiency of the GPU kernels. Strong and weak scalability results of the new version of the library on well-known benchmark test cases are discussed. Comparisons with the Nvidia AmgX solution show a speedup, in the solve phase, up to 2.0x.

To achieve high performance and high energy efficiency on near-future exascale computing systems, three key technology gaps needs to be bridged. These gaps include: energy efficiency and thermal control; extreme computation efficiency via HW acceleration and new arithmetics; methods and tools for seamless integration of reconfigurable accelerators in heterogeneous HPC multi-node platforms. TEXTAROSSA aims at tackling this gap through a co-design approach to heterogeneous HPC solutions, supported by the integration and extension of HW and SW IPs, programming models and tools derived from European research.

We describe main issues and design principles of an efficient implementation, tailored to recent generations of Nvidia Graphics Processing Units (GPUs), of an Algebraic Multigrid (AMG) preconditioner previously proposed by one of the authors and already available in the open-source package BootCMatch: Bootstrap algebraic multigrid based on Compatible weighted Matching for standard CPU. The AMG method relies on a new approach for coarsening sparse symmetric positive definite (spd) matrices, named "coarsening based on compatible weighted matching". It exploits maximum weight matching in the adjacency graph of the sparse matrix, driven by the principle of compatible relaxation, providing a suitable aggregation of unknowns which goes beyond the limits of the usual heuristics applied in the current methods. We adopt an approximate solution of the maximum weight matching problem, based on a recently proposed parallel algorithm, referred as the Suitor algorithm, and show that it allow us to obtain good quality coarse matrices for our AMG on GPUs. We exploit inherent parallelism of modern GPUs in all the kernels involving sparse matrix computations both for the setup of the preconditioner and for its application in a Krylov solver, outperforming preconditioners available in Nvidia AmgX library. We report results about a large set of linear systems arising from discretization of scalar and vector partial differential equations (PDEs).

This article has two main objectives: one is to describe some extensions of an adaptive Algebraic Multigrid (AMG) method of the form previously proposed by the first and third authors, and a second one is to present a new software framework, named BootCMatch , which implements all the components needed to build and apply the described adaptive AMG both as a stand-alone solver and as a preconditioner in a Krylov method. The adaptive AMG presented is meant to handle general symmetric and positive definite (SPD) sparse linear systems, without assuming any a priori information of the problem and its origin; the goal of adaptivity is to achieve a method with a prescribed convergence rate. The presented method exploits a general coarsening process based on aggregation of unknowns, obtained by a maximum weight matching in the adjacency graph of the system matrix. More specifically, a maximum product matching is employed to define an effective smoother subspace (complementary to the coarse space), a process referred to as compatible relaxation, at every level of the recursive two-level hierarchical AMG process. Results on a large variety of test cases and comparisons with related work demonstrate the reliability and efficiency of the method and of the software.

The chemical task in internal combustion engine simulations concerns with the solution of a non-linear stiff system of Ordinary Differential Equations (ODEs) per each cell of a discretization grid representing engine geometry. The computational cost of the above task, when a detailed kinetic scheme is used, is dominating in engine simulations. Due to local physical-chemical conditions, each system of ODEs is characterized by local numerical properties (such as stiffness), therefore local adaptive solvers are usually employed for its efficient solution. We developed an MPI-based combustion parallel solver for efficient solution of the chemical task in engine simulations within parallel environment. In this context, we propose a cell distribution based on a dynamic load balancing algorithm, using a strategy which preserves contiguousness of the computational grid cells. Efficiency of our approach is shown for parallel simulations of realistic Diesel engines, when different sizes of the discretization grid and different operative conditions of the engine are used.

Domain decomposition ideas have long been an essential tool for the solution of PDEs on parallel computers. In recent years many research efforts have been focused on recursively employing domain decomposition methods to obtain multilevel preconditioners to be used with Krylov solvers. In this context, we developed MLD2P4 (MultiLevel Domain Decomposition Parallel Preconditioners Package based on PSBLAS), a package of parallel multilevel preconditioners that combines additive Schwarz domain decomposition methods with a smoothed aggregation technique to build a hierarchy of coarse-level corrections in an algebraic way. The design of MLD2P4 was guided by objectives such as extensibility, flexibility, performance, portability, and ease of use. They were achieved by following an object-based approach while using the Fortran 95 language, as well as by employing the PSBLAS library as a basic framework. In this article, we present MLD2P4 focusing on its design principles, software architecture, and use.