Related papers: Alya towards Exascale: Algorithmic Scalability usi…

Alya is the BSC in-house HPC-based multi-physics simulation code. It is designed from scratch to run efficiently in parallel supercomputers, solving coupled problems. The target domain is engineering, with all its particular features:…

This paper addresses the challenge of providing portable and highly efficient code structures for CPU and GPU architectures. We choose the assembly of the right-hand term in the incompressible flow module of the High-Performance…

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization…

In this chapter, we describe the Parallel Sparse Computation Toolkit (PSCToolkit), a suite of libraries for solving large-scale linear algebra problems in an HPC environment. In particular, we focus on the tools provided for the solution of…

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…

Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and…

Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. However, these software combinations and…

The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization.The PETSc design for performance…

The upcoming exascale era will push the changes in computing architecture from classical CPU-based systems in hybrid GPU-heavy systems with much higher levels of complexity. While such clusters are expected to improve the performance of…

There are many science applications that require scalable task-level parallelism and support for flexible execution and coupling of ensembles of simulations. Most high-performance system software and middleware, however, are designed to…

Engineering is an important domain for supercomputing, with the Alya model being a popular code for undertaking such simulations. With ever increasing demand from users to model larger, more complex systems at reduced time to solution it is…

We present the design and scalable implementation of an exascale climate emulator for addressing the escalating computational and storage requirements of high-resolution Earth System Model simulations. We utilize the spherical harmonic…

For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient…

A state-of-the-art large eddy simulation code has been developed to solve compressible flows in turbomachinery. The code has been engineered with a high degree of scalability, enabling it to effectively leverage the many-core architecture…

Resolving the most fundamental questions in cosmology requires simulations that match the scale, fidelity, and physical complexity demanded by next-generation sky surveys. To achieve the realism needed for this critical scientific…

To overcome the communication bottlenecks observed in state-of-the-art parallel time-dependent flow solvers at extreme scales, an asynchronous computing approach that relaxes communication and synchronization at a mathematical level was…

Linear solvers for large and sparse systems are a key element of scientific applications, and their efficient implementation is necessary to harness the computational power of current computers. Algebraic MultiGrid (AMG) preconditioners are…

Recent demonstrations on specialized benchmarks have reignited excitement for quantum computers, yet whether they can deliver an advantage for practical real-world problems remains an open question. Here, we show that probabilistic…

Euler-Lagrange (EL) simulations provide a direct and robust framework for modeling disperse multiphase flows. However, they are computationally expensive. While various approaches have attempted to leverage heterogeneous computing…

This paper introduces the Exascale Grid Optimization (ExaGO) toolkit, a library for solving large-scale alternating current optimal power flow (ACOPF) problems including stochastic effects, security constraints and multi-period constraints.…