Massively parallel Monte Carlo for many-particle simulations on GPUs
From MaRDI portal
Publication:348164
DOI10.1016/J.JCP.2013.07.023zbMATH Open1349.65005arXiv1211.1646OpenAlexW2111223281MaRDI QIDQ348164FDOQ348164
Authors: Joshua A. Anderson, Eric Jankowski, Thomas L. Grubb, Michael Engel, Sharon C. Glotzer 
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: 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 attention because of the inherent serial nature of the statistical sampling. In this paper, we present a massively parallel method that obeys detailed balance and implement it for a system of hard disks on the GPU. We reproduce results of serial high-precision Monte Carlo runs to verify the method. This is a good test case because the hard disk equation of state over the range where the liquid transforms into the solid is particularly sensitive to small deviations away from the balance conditions. On a Tesla K20, our GPU implementation executes over one billion trial moves per second, which is 148 times faster than on a single Intel Xeon E5540 CPU core, enables 27 times better performance per dollar, and cuts energy usage by a factor of 13. With this improved performance we are able to calculate the equation of state for systems of up to one million hard disks. These large system sizes are required in order to probe the nature of the melting transition, which has been debated for the last forty years. In this paper we present the details of our computational method, and discuss the thermodynamics of hard disks separately in a companion paper.
Full work available at URL: https://arxiv.org/abs/1211.1646
Recommendations
- Massively parallelized replica-exchange simulations of polymers on GPUs
- The Metropolis Monte Carlo method with CUDA enabled graphic processing units
- Massively parallel simulations for disordered systems
- A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions
- Monte Carlo Simulation of Dynamic Systems on GPU’s
Monte Carlo methods (65C05) Parallel numerical computation (65Y05) Numerical algorithms for specific classes of architectures (65Y10)
Cites Work
- Equation of State Calculations by Fast Computing Machines
- Large scale atomistic polymer simulations using Monte Carlo methods for parallel vector processors
- Pseudo-random number generation for Brownian dynamics and dissipative particle dynamics simulations on GPU devices
- General purpose molecular dynamics simulations fully implemented on graphics processing units
- GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model
- Parallelization of a dynamic Monte Carlo algorithm: A partially rejection-free conservative approach
- Synchronous parallel kinetic Monte Carlo for continuum diffusion-reaction systems
- Title not available (Why is that?)
- Implementing molecular dynamics on hybrid high performance computers-short range forces
- Enhanced molecular dynamics performance with a programmable graphics processor
- Hierarchical fractional-step approximations and parallel kinetic Monte Carlo algorithms
Cited In (14)
- Suppressing correlations in massively parallel simulations of lattice models
- A scalable algorithm for many-body dissipative particle dynamics using multiple general purpose graphic processing units
- Parallelized event chain algorithm for dense hard sphere and polymer systems
- Application of MPI-IO in Parallel Particle Transport Monte-Carlo Simulation
- Random number generators for large-scale parallel Monte Carlo simulations on FPGA
- Monte Carlo Simulation of Dynamic Systems on GPU’s
- GPU accelerated Monte Carlo simulation of Brownian motors dynamics with CUDA
- Quantum Monte Carlo on graphical processing units
- GPU implementations of the Bond fluctuation model
- Massively parallelized replica-exchange simulations of polymers on GPUs
- Title not available (Why is that?)
- Massively parallel kinetic Monte Carlo simulations of charge carrier transport in organic semiconductors
- Massively parallel simulations for disordered systems
- A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions
Uses Software
This page was built for publication: Massively parallel Monte Carlo for many-particle simulations on GPUs
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q348164)
