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Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-14 Michael Schaffner , Luca Benini

We present parallel algorithms for constructing and traversing sparse octrees on graphics processing units (GPUs). The algorithms are based on parallel-scan and sort methods. To test the performance and feasibility, we implemented them in…

Instrumentation and Methods for Astrophysics · Physics 2012-04-11 Jeroen Bédorf , Evghenii Gaburov , Simon Portegies Zwart

N-body simulations are essential tools in physical cosmology to understand the large-scale structure (LSS) formation of the Universe. Large-scale simulations with high resolution are important for exploring the substructure of universe and…

Computational Physics · Physics 2020-10-22 Shenggan Cheng , Hao-Ran Yu , Derek Inman , Qiucheng Liao , Qiaoya Wu , James Lin

Gravitational N-body simulations, that is numerical solutions of the equations of motions for N particles interacting gravitationally, are widely used tools in astrophysics, with applications from few body or solar system like systems all…

Astrophysics · Physics 2008-06-25 M. Trenti , P. Hut

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

GPUs are the most popular platform for accelerating HPC workloads, such as artificial intelligence and science simulations. However, most microarchitectural research in academia relies on GPU core pipeline designs based on architectures…

Hardware Architecture · Computer Science 2025-10-30 Rodrigo Huerta , Mojtaba Abaie Shoushtary , José-Lorenzo Cruz , Antonio González

The $\mathcal{F}$-statistic is a detection statistic used widely in searches for continuous gravitational waves with terrestrial, long-baseline interferometers. A new implementation of the $\mathcal{F}$-statistic is presented which…

General Relativity and Quantum Cosmology · Physics 2022-06-14 Liam Dunn , Patrick Clearwater , Andrew Melatos , Karl Wette

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

Many artificial intelligence (AI) devices have been developed to accelerate the training and inference of neural networks models. The most common ones are the Graphics Processing Unit (GPU) and Tensor Processing Unit (TPU). They are highly…

Machine Learning · Computer Science 2022-10-25 xiangyang Ju , Yunsong Wang , Daniel Murnane , Nicholas Choma , Steven Farrell , Paolo Calafiura

The approximate computation of all gravitational forces between $N$ interacting particles via the fast multipole method (FMM) can be made as accurate as direct summation, but requires less than $\mathcal{O}(N)$ operations. FMM groups…

Instrumentation and Methods for Astrophysics · Physics 2014-05-12 Walter Dehnen

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…

Computational Physics · Physics 2019-09-13 Yidong Xia , Ansel Blumers , Zhen Li , Lixiang Luo , Yu-Hang Tang , Joshua Kane , Hai Huang , Matthew Andrew , Milind Deo , Jan Goral

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…

Fluid Dynamics · Physics 2024-03-01 Min Zhang , Runze Mao , Han Li , Zhenhua An , Zhi X. Chen

Purpose: Very fast Monte Carlo (MC) simulations of proton transport have been implemented recently on GPUs. However, these usually use simplified models for non-elastic (NE) proton-nucleus interactions. Our primary goal is to build a…

Medical Physics · Physics 2015-06-11 H. Wan Chan Tseung , J. Ma , C. Beltran

This paper presents a fast, economical particle-multiple-mesh N-body code optimized for large-N modelling of collisionless dynamical processes, such as black-hole wandering or bar-halo interactions, occurring within isolated galaxies. The…

Astrophysics · Physics 2007-11-07 John Magorrian

Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that…

Statistical Mechanics · Physics 2011-07-26 Martin Weigel

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro

We provide high-speed implementations for simulating reservoirs described by $N$-coupled spin-torque oscillators. Here $N$ also corresponds to the number of reservoir nodes. We benchmark a variety of implementations based on CPU and GPU.…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-05 Thomas Geert de Jong , Nozomi Akashi , Tomohiro Taniguchi , Hirofumi Notsu , Kohei Nakajima

We develop a matrix-free Full Approximation Storage (FAS) multigrid solver based on staggered finite differences and implemented on GPU in MATLAB. To enhance performance, intermediate variables are reused, and an X-shape Multi-Color…

Numerical Analysis · Mathematics 2025-10-14 Jiale Meng , Shuqi Tang , Steven M. Wise , Zhenlin Guo

Graphics Processing Units (GPUs) are becoming popular accelerators in modern High-Performance Computing (HPC) clusters. Installing GPUs on each node of the cluster is not efficient resulting in high costs and power consumption as well as…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-15 Javier Prades , Blesson Varghese , Carlos Reano , Federico Silla

With their widespread availability, FPGA-based accelerators cards have become an alternative to GPUs and CPUs to accelerate computing in applications with certain requirements (like energy efficiency) or properties (like fixed-point…

Hardware Architecture · Computer Science 2022-10-20 Tom Vander Aa , Tom Haber , Thomas J. Ashby , Roel Wuyts , Wilfried Verachtert