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We discuss the advantages of parallelization by multithreading on graphics processing units (GPUs) for parallel tempering Monte Carlo computer simulations of an exemplified bead-spring model for homopolymers. Since the sampling of a large…

Computational Physics · Physics 2015-05-28 Jonathan Groß , Wolfhard Janke , Michael Bachmann

Markov Chain Monte Carlo methods are algorithms used to sample probability distributions, commonly used to sample the Boltzmann distribution of physical/chemical models (e.g., protein folding, Ising model, etc.). This allows us to study…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-04 Aingeru Ramos , Jose A Pascual , Javier Navaridas , Ivan Coluzza

We present a case-study on the utility of graphics cards to perform massively parallel simulation of advanced Monte Carlo methods. Graphics cards, containing multiple Graphics Processing Units (GPUs), are self-contained parallel…

Computation · Statistics 2015-05-05 Anthony Lee , Christopher Yau , Michael B. Giles , Arnaud Doucet , Christopher C. Holmes

Parallel computing is a standard approach to achieving high-performance computing (HPC). Three commonly used methods to implement parallel computing include: 1) applying multithreading technology on single-core or multi-core CPUs; 2)…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-18 Xinyao Yi

General Purpose Graphics Processing Unit (GPGPU) computing plays a transformative role in deep learning and machine learning by leveraging the computational advantages of parallel processing. Through the power of Compute Unified Device…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-20 Ming Li , Ziqian Bi , Tianyang Wang , Yizhu Wen , Qian Niu , Xinyuan Song , Zekun Jiang , Junyu Liu , Benji Peng , Sen Zhang , Xuanhe Pan , Jiawei Xu , Jinlang Wang , Keyu Chen , Caitlyn Heqi Yin , Pohsun Feng , Ming Liu

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

The advent of high performance computing (HPC) and graphics processing units (GPU), present an enormous computation resource for Large data transactions (big data) that require parallel processing for robust and prompt data analysis. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-17 Kato Mivule , Benjamin Harvey , Crystal Cobb , Hoda El Sayed

Decoupling approach presents a novel solution/alternative to the highly time-consuming fluid-thermal-structural simulation procedures when thermal effects and resultant displacements on machine tools are analyzed. Using high dimensional…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-31 Janine Glänzel , Andreas Naumann , Tharun Suresh Kumar

Simulations of systems with quenched disorder are extremely demanding, suffering from the combined effect of slow relaxation and the need of performing the disorder average. As a consequence, new algorithms, improved implementations, and…

Computational Physics · Physics 2020-05-20 Ravinder Kumar , Jonathan Gross , Wolfhard Janke , Martin Weigel

Parallel data processing has become indispensable for processing applications involving huge data sets. This brings into focus the Graphics Processing Units (GPUs) which emphasize on many-core computing. With the advent of General Purpose…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-22 Poorna Banerjee , Amit Dave

Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…

Computational Physics · Physics 2013-08-26 Joshua A. Anderson , Eric Jankowski , Thomas L. Grubb , Michael Engel , Sharon C. Glotzer

Simulators are a primary tool in computer architecture research but are extremely computationally intensive. Simulating modern architectures with increased core counts and recent workloads can be challenging, even on modern hardware. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-27 Rodrigo Huerta , Antonio González

Numerical solution of reaction-diffusion equations in three dimensions is one of the most challenging applied mathematical problems. Since these simulations are very time consuming, any ideas and strategies aiming at the reduction of CPU…

Computational Physics · Physics 2011-08-17 Ferenc Molnar , Ferenc Izsak , Robert Meszaros , Istvan Lagzi

We discuss the efficiency of parallelization on graphical processing units (GPUs) for the simulation of the one dimensional Potts model with long range interactions via parallel tempering. We investigate the behaviour of some thermodynamic…

Statistical Mechanics · Physics 2015-06-17 A. Boer

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

A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…

Computational Physics · Physics 2010-07-22 Benjamin Block , Peter Virnau , Tobias Preis

Applications that require substantial computational resources today cannot avoid the use of heavily parallel machines. Embracing the opportunities of parallel computing and especially the possibilities provided by a new generation of…

Computational Physics · Physics 2017-09-14 Martin Weigel

We present an adaptive multi-GPU Exchange Monte Carlo method designed for the simulation of the 3D Random Field Model. The algorithm design is based on a two-level parallelization scheme that allows the method to scale its performance in…

Computational Physics · Physics 2016-08-10 C. A. Navarro , Wei Huang , Youjin Deng

Markov Chain Monte Carlo (MCMC) algorithms are essential tools in computational statistics for sampling from unnormalised probability distributions, but can be fragile when targeting high-dimensional, multimodal, or complex target…

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

Computational Physics · Physics 2013-03-06 R. D. Schram
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