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Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

We present Swarm-NG, a C++ library for the efficient direct integration of many n-body systems using highly-parallel Graphics Processing Unit (GPU), such as NVIDIA's Tesla T10 and M2070 GPUs. While previous studies have demonstrated the…

Earth and Planetary Astrophysics · Physics 2015-06-11 Saleh Dindar , Eric B. Ford , Mario Juric , Young In Yeo , Jianwei Gao , Aaron C. Boley , Benjamin Nelson , Jorg Peters

In this paper, we develop a highly efficient molecular dynamics code fully implemented on graphics processing units for thermal conductivity calculations using the Green-Kubo formula. We compare two different schemes for force evaluation, a…

Materials Science · Physics 2013-03-14 Zheyong Fan , Topi Siro , Ari Harju

These notes accompany the open-source code published in GitHub which implements a GPU-based line-segment, surface-triangle intersection algorithm in CUDA. It mentions some relevant works and discusses issues specific to this implementation.…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-08 Raymond Leung

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…

Graphics · Computer Science 2016-08-31 S. Tomov , M. McGuigan , R. Bennett , G. Smith , J. Spiletic

In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…

Computational Physics · Physics 2019-10-24 Christian Flohr Nielsen

Direct gravitational simulations of n-body systems have a time complexity O(n^2), which gets computationally expensive as the number of bodies increases. Distributing this workload to multiple cores significantly speeds up the computation…

Earth and Planetary Astrophysics · Physics 2022-08-30 Dhananjay Saikumar

This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…

Computational Physics · Physics 2020-01-08 Lianhua Zhu , Peng Wang , Songze Chen , Zhaoli Guo , Yonghao Zhang

We report a novel application of graphics processing units (GPUs) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16 fold has been achieved compared…

General Relativity and Quantum Cosmology · Physics 2010-05-25 Shin Kee Chung , Linqing Wen , David Blair , Kipp Cannon , Amitava Datta

A micromagnetic simulator running on graphics processing unit (GPU) is presented. It achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude for large input…

Computational Engineering, Finance, and Science · Computer Science 2014-11-11 Ru Zhu

In this paper, we describe the implementation and performance of GreeM, a massively parallel TreePM code for large-scale cosmological N-body simulations. GreeM uses a recursive multi-section algorithm for domain decomposition. The size of…

Instrumentation and Methods for Astrophysics · Physics 2015-05-14 Tomoaki Ishiyama , Toshiyuki Fukushige , Junichiro Makino

One of the current challenges in physically-based simulations, and, more specifically, fluid simulations, is to produce visually appealing results at interactive rates, capable of being used in multiple forms of media. In recent times, a…

Graphics · Computer Science 2024-04-17 Pedro Centeno , João Madeiras Pereira

We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…

Computational Physics · Physics 2013-09-02 Xavier Andrade , Alán Aspuru-Guzik

Graphics Processing Units (GPUs) are high performance co-processors originally intended to improve the use and quality of computer graphics applications. Once, researchers and practitioners noticed the potential of using GPU for general…

Numerical Analysis · Computer Science 2016-07-12 K. Parand , Saeed Zafarvahedian , Sayyed A. Hossayni

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

The future of computation is the Graphical Processing Unit, i.e. the GPU. The promise that the graphics cards have shown in the field of image processing and accelerated rendering of 3D scenes, and the computational capability that these…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-02-21 Jayshree Ghorpade , Jitendra Parande , Madhura Kulkarni , Amit Bawaskar

The tree method is a widely implemented algorithm for collisionless $N$-body simulations in astrophysics well suited for GPU(s). Adopting hierarchical time stepping can accelerate $N$-body simulations; however, it is infrequently…

Instrumentation and Methods for Astrophysics · Physics 2016-11-09 Yohei Miki , Masayuki Umemura

A combined N--body/SPH code is presented which benefits from the high speed of the special purpose hardware GRAPE (GRAvity PipE). Besides gravitational forces, GRAPE also returns the list of neighbours and can, therefore, be used to speed…

Astrophysics · Physics 2015-06-24 Matthias Steinmetz

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

Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations. By implementing the theory efficiently so as to run at…

Materials Science · Physics 2022-08-11 Victor Wen-zhe Yu , Marco Govoni
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