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High-performance computing, together with a neural network model trained from data generated with first-principles methods, has greatly boosted applications of \textit{ab initio} molecular dynamics in terms of spatial and temporal scales on…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-06 Zhuoqiang Guo , Denghui Lu , Yujin Yan , Siyu Hu , Rongrong Liu , Guangming Tan , Ninghui Sun , Wanrun Jiang , Lijun Liu , Yixiao Chen , Linfeng Zhang , Mohan Chen , Han Wang , Weile Jia

Robustly estimating energy consumption in High-Performance Computing (HPC) is essential for assessing the energy footprint of modern workloads, particularly in fields such as Artificial Intelligence (AI) research, development, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-10 Luis G. León-Vega , Niccolò Tosato , Stefano Cozzini

Climate models must simulate hundreds of future scenarios for hundreds of years at coarse resolutions, and a handful of high-resolution decadal simulations to resolve localized extreme events. Using Oceananigans.jl, written from scratch in…

The oceans cover the vast majority of the Earth. Therefore, their simulation has many scientific, industrial and military interests, including computer graphics domain. By fully exploiting the multi-threading power of GPU and CPU, current…

Graphics · Computer Science 2025-04-30 David Algis , Bérenger Bramas , Emmanuelle Darles , Lilian Aveneau

As research and deployment of AI grows, the computational burden to support and sustain its progress inevitably does too. To train or fine-tune state-of-the-art models in NLP, computer vision, etc., some form of AI hardware acceleration is…

Hardware Architecture · Computer Science 2024-03-01 Dan Zhao , Siddharth Samsi , Joseph McDonald , Baolin Li , David Bestor , Michael Jones , Devesh Tiwari , Vijay Gadepally

We report on the performance of our cold-dark matter cosmological N-body simulation which was carried out concurrently using supercomputers across the globe. We ran simulations on 60 to 750 cores distributed over a variety of supercomputers…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-01-25 Derek Groen , Simon Portegies Zwart , Tomoaki Ishiyama , Junichiro Makino

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-06-13 Sylvain Collange , Marc Daumas , David Defour

BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…

Instrumentation and Methods for Astrophysics · Physics 2025-01-14 Yifu An , Yuxi Chen , Hongyang Zhou , Alexander Gaenko , Gábor Tóth

Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show that efficient simulation algorithms can be realized on GPUs either by CUDA or by OpenCL programming. We consider a deposition/evaporation…

Computational Physics · Physics 2015-03-17 Henrik Schulz , Géza Ódor , Gergely Ódor , Máté Ferenc Nagy

This paper explores strategies to transform an existing CPU-based high-performance computational fluid dynamics solver, HyPar, for compressible flow simulations on emerging exascale heterogeneous (CPU+GPU) computing platforms. The…

Computational Engineering, Finance, and Science · Computer Science 2022-12-07 Youngdae Kim , Debojyoti Ghosh , Emil M. Constantinescu , Ramesh Balakrishnan

New challenges in Astronomy and Astrophysics (AA) are urging the need for a large number of exceptionally computationally intensive simulations. "Exascale" (and beyond) computational facilities are mandatory to address the size of…

This paper presents the implementation of a HLLC finite volume solver using GPU technology for the solution of shallow water problems in two dimensions. It compares both CPU and GPU approaches for implementing all the solver's steps. The…

Computational Engineering, Finance, and Science · Computer Science 2018-07-03 Fabrice Zaoui

Traditional numerical global climate models simulate the full Earth system by exchanging boundary conditions between separate simulators of the atmosphere, ocean, sea ice, land surface, and other geophysical processes. This paradigm allows…

We present Sapporo, a library for performing high-precision gravitational N-body simulations on NVIDIA Graphical Processing Units (GPUs). Our library mimics the GRAPE-6 library, and N-body codes currently running on GRAPE-6 can switch to…

Instrumentation and Methods for Astrophysics · Physics 2015-05-13 Evghenii Gaburov , Stefan Harfst , Simon Portegies Zwart

This paper presents, to the author's knowledge, the first graphics processing unit (GPU) accelerated program that solves the evolution of interacting scalar fields in an expanding universe. We present the implementation in NVIDIA's Compute…

Instrumentation and Methods for Astrophysics · Physics 2014-11-20 Jani Sainio

The planning and operation of renewable energy, especially wind power, depend crucially on accurate, timely, and high-resolution weather information. Coarse-grid global numerical weather forecasts are typically downscaled to meet these…

High-performance graphical processing units (GPU) are used for the repeated parallelised propagation of non-linear partial differential equations on large spatio-temporal grids. The main challenge results as a combination of the requirement…

Computational fluid dynamic simulations often produce large clusters of finite elements with non-trivial, non-convex boundaries and uneven distributions among compute nodes, posing challenges to compositing during interactive volume…

Current supercomputers often have a heterogeneous architecture using both CPUs and GPUs. At the same time, numerical simulation tasks frequently involve multiphysics scenarios whose components run on different hardware due to multiple…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Samuel Kemmler , Christoph Rettinger , Ulrich Rüde , Pablo Cuéllar , Harald Köstler

Sustainability in high performance computing (HPC) is a major challenge not only for HPC centers and their users, but also for society as the climate goals become stricter. A lot of effort went into reducing the energy consumption of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-11 Osman Seckin Simsek , Jean-Guillaume Piccinali , Florina M. Ciorba