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A way to accelerate DEM calculations on the GPUs is developed. We examined how warp divergences take place in the contact detection and the force calculations taking account of the GPU architecture. Then we showed a strategy to reduce the…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-03-13 Yasuhiro Nakahara , Teruyoshi Washizawa

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

GPUs have been widely used to accelerate computations exhibiting simple patterns of parallelism - such as flat or two-level parallelism - and a degree of parallelism that can be statically determined based on the size of the input dataset.…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-18 Hancheng Wu , Da Li , Michela Becchi

The paper presents a numerical implementation of the gravitational N-body problem with contact interactions between non-spherically shaped bodies. The work builds up on a previous implementation of the code and extends its capabilities. The…

Earth and Planetary Astrophysics · Physics 2019-12-11 F. Ferrari , M. Lavagna , E. Blazquez

We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…

High Energy Physics - Lattice · Physics 2023-09-26 Raghav G. Jha , Abhishek Samlodia

We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…

Graphics · Computer Science 2023-08-04 Alexander Sommer , Ulrich Schwanecke , Elmar Schömer

Monte Carlo simulations of the transport of protons in human tissue have been deployed on graphics processing units (GPUs) with impressive results. To provide a more complete treatment of non-elastic nuclear interactions in these…

Computational Physics · Physics 2014-10-01 H. Wan Chan Tseung , C. Beltran

The availability of low cost sensors has led to an unprecedented growth in the volume of spatial data. However, the time required to evaluate even simple spatial queries over large data sets greatly hampers our ability to interactively…

Databases · Computer Science 2020-04-09 Harish Doraiswamy , Juliana Freire

Generation of optimal codes is a well known problem in coding theory. Many computational approaches exist in the literature for finding record breaking codes. However generating codes with long lengths $n$ using serial algorithms is…

Information Theory · Computer Science 2015-07-21 Srajan Paliwal , Saurabh Tiwary , Bhaskar Chaudhury , Manish K. Gupta

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

Geometry optimization is an important part of both computational materials and surface science because it is the path to finding ground state atomic structures and reaction pathways. These properties are used in the estimation of…

Materials Science · Physics 2021-07-07 Yilin Yang , Omar A. Jimenez-Negron , John R. Kitchin

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

Computational Physics · Physics 2025-01-29 Xin Jing , Abhiraj Sharma , John E. Pask , Phanish Suryanarayana

Oscillation probability calculations are becoming increasingly CPU intensive in modern neutrino oscillation analyses. The independency of reweighting individual events in a Monte Carlo sample lends itself to parallel implementation on a…

Data Analysis, Statistics and Probability · Physics 2014-05-12 R. G. Calland , A. C. Kaboth , D. Payne

The current paper reports on the implementation of a numerical solver on the Graphic Processing Units (GPU) to model reactive gas mixture with detailed chemical kinetics. The solver incorporates high-order finite volume methods for solving…

Fluid Dynamics · Physics 2011-10-25 H. P. Le , J. -L. Cambier

This study presents a reconstruction of the Gaussian Beam Tracing solution using CUDA, with a particular focus on the utilisation of GPU acceleration as a means of overcoming the performance limitations of traditional CPU algorithms in…

Performance · Computer Science 2025-01-24 Zhang Sheng , Lishu Duan , Hanbo Jiang

Quantum circuit simulators have a long tradition of exploiting massive hardware parallelism. Most of the times, parallelism has been supported by special purpose libraries tailored specifically for the quantum circuits. Quantum circuit…

Quantum Physics · Physics 2021-06-29 Oumarou Oumarou , Alexandru Paler , Robert Basmadjian

Real time processing for teamwork action recognition is a challenge, due to complex computational models to achieve high system performance. Hence, this paper proposes a framework based on Graphical Processing Units (GPUs) to achieve a…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-10-15 Mohamed Elhoseiny , Hossam Faheem , Taymour Nazmy , Eman Shaaban

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

Due to the variety and importance of applications of treecodes and FMM, the combination of algorithmic acceleration with hardware acceleration can have tremendous impact. Alas, programming these algorithms efficiently is no piece of cake.…

Computational Physics · Physics 2012-08-14 Rio Yokota , Lorena Barba

Optimizing the performance of computational fluid dynamics (CFD) applications accelerated by graphics processing units (GPUs) is crucial for efficient simulations. In this study, we employed a machine learning-based autotuning technique to…

Performance · Computer Science 2024-02-21 Weicheng Xue , Christohper John Roy