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The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well exploited with a combination of SIMD,…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-14 Carsten Kutzner , Szilárd Páll , Martin Fechner , Ansgar Esztermann , Bert L. de Groot , Helmut Grubmüller

Non-volatile memory (NVM) has the potential to disrupt the boundary between memory and storage, including the abstractions that manage this boundary. Researchers comparing the speed, durability, and abstractions of hybrid systems with DRAM,…

Programming Languages · Computer Science 2018-08-02 Shoaib Akram , Jennifer B. Sartor , Kathryn S. McKinley , Lieven Eeckhout

With recent developments in parallel supercomputing architecture, many core, multi-core, and GPU processors are now commonplace, resulting in more levels of parallelism, memory hierarchy, and programming complexity. It has been necessary to…

High Energy Physics - Lattice · Physics 2017-12-04 Ruizi Li , Carleton DeTar , Steven Gottlieb , Doug Toussaint

Hardware heterogeneity is here to stay for high-performance computing. Large-scale systems are currently equipped with multiple GPU accelerators per compute node and are expected to incorporate more specialized hardware. This shift in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-09 Polykarpos Thomadakis , Nikos Chrisochoides

We deploy and demonstrate the CoinTossX low-latency, high-throughput, open-source matching engine with orders sent using the Julia and Python languages. We show how this can be deployed for small-scale local desk-top testing and discuss a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-24 Ivan Jericevich , Dharmesh Sing , Tim Gebbie

Portability, performance, and productivity are three critical dimensions for evaluating a programming model or compiler infrastructure. Several modern programming models for computational science focus on performance and portability. On the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-01 Brian Kelley , Sivasankaran Rajamanickam

The nonuniform fast Fourier transform (NUFFT) enables spectral methods for problems with irregularly spaced samples, with applications in medical imaging, molecular dynamics, and kinetic plasma simulations. Existing implementations are…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Paul Fischill , Andreas Adelmann , Sriramkrishnan Muralikrishnan

Cutting-edge embedded system applications, such as self-driving cars and unmanned drone software, are reliant on integrated CPU/GPU platforms for their DNNs-driven workload, such as perception and other highly parallel components. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-20 Soroush Bateni , Zhendong Wang , Yuankun Zhu , Yang Hu , Cong Liu

Exascale computing will get mankind closer to solving important social, scientific and engineering problems. Due to high prototyping costs, High Performance Computing (HPC) system architects make use of simulation models for design space…

Performance · Computer Science 2018-03-28 Alexandra Ferreron , Radhika Jagtap , Sascha Bischoff , Roxana Rusitoru

As CUDA programs become the de facto program among data parallel applications such as high-performance computing or machine learning applications, running CUDA on other platforms has been a compelling option. Although several efforts have…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-21 Ruobing Han , Jaewon Lee , Jaewoong Sim , Hyesoon Kim

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

In this paper, we provide an affirmative answer to the long-standing question: Are GPUs useful in solving linear programming? We present cuPDLP.jl, a GPU implementation of restarted primal-dual hybrid gradient (PDHG) for solving linear…

Optimization and Control · Mathematics 2024-06-10 Haihao Lu , Jinwen Yang

Computational platforms for high-performance scientific applications are becoming more heterogenous, including hardware accelerators such as multiple GPUs. Applications in a wide variety of scientific fields require an efficient and careful…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-12 Rocío Carratalá-Sáez , Francisco J. andújar , Yuri Torres , Arturo Gonzalez-Escribano , Diego R. Llanos

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer (ABL) flows that are of direct relevance to wind…

Computational Engineering, Finance, and Science · Computer Science 2022-10-04 Misun Min , Michael Brazell , Ananias Tomboulides , Matthew Churchfield , Paul Fischer , Michael Sprague

The demand for high-performance computing (HPC) is ever-increasing for everyday statistical computing purposes. The downside is that we need to write specialized code for each HPC environment. CPU-level parallelization needs to be…

Computation · Statistics 2020-11-02 Seyoon Ko , Hua Zhou , Jin Zhou , Joong-Ho Won

Many scientific high performance codes that simulate e.g. black holes, coastal waves, climate and weather, etc. rely on block-structured meshes and use finite differencing methods to iteratively solve the appropriate systems of differential…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-26 Patrick Diehl , Steven R. Brandt , Max Morris , Nikunj Gupta , Hartmut Kaiser

We present an efficient implementation for running three-dimensional numerical simulations of fluid-structure interaction problems on single GPUs, based on Nvidia CUDA through Numba and Python. The incompressible flow around moving bodies…

Fluid Dynamics · Physics 2024-12-05 M. Guerrero-Hurtado , J. M. Catalán , M. Moriche , A. Gonzalo , O. Flores

For reasons of both performance and energy efficiency, high-performance computing (HPC) hardware is becoming increasingly heterogeneous. The OpenCL framework supports portable programming across a wide range of computing devices and is…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-01 Beau Johnston , Josh Milthorpe

Modern processors, in particular within the server segment, integrate more cores with each generation. This increases their complexity in general, and that of the memory hierarchy in particular. Software executed on such processors can…

Hardware Architecture · Computer Science 2022-04-08 Markus Velten , Robert Schöne , Thomas Ilsche , Daniel Hackenberg

Hardware heterogeneity is here to stay for high-performance computing. Large-scale systems are currently equipped with multiple GPU accelerators per compute node and are expected to incorporate more specialized hardware in the future. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-05 Polykarpos Thomadakis , Nikos Chrisochoides