Parallelized event chain algorithm for dense hard sphere and polymer systems
arXiv:1409.6948 · doi:10.1016/j.jcp.2014.10.059
Abstract
We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers.
appears in J. Comput. Phys. (2014)
References in corpus (19)
- Two-step melting in two dimensions: First-order liquid-hexatic transition
- Wigner crystal model of counterion induced bundle formation of rod-like polyelectrolytes
- Hard-disk equation of state: First-order liquid-hexatic transition in two dimensions with three simulation methods
- Event-chain Monte Carlo algorithms for hard-sphere systems
- Absence of Thermodynamic Phase Transition in a Model Glass Former
- Harvesting graphics power for MD simulations
- Generalized event-chain Monte Carlo: Constructing rejection-free global-balance algorithms from infinitesimal steps
- Rejection-free Geometric Cluster Algorithm for Complex Fluids
- Large-Scale Simulations of the Two-Dimensional Melting of Hard Disks
- Massively parallel Monte Carlo for many-particle simulations on GPUs
- Numerical Solution of Hard-Core Mixtures
- Active diffusion of motor particles
- Depinning of semiflexible polymers in (1+1) dimensions
- GPU-based Swendsen-Wang multi-cluster algorithm for the simulation of two-dimensional classical spin systems
- Controlling adsorption of semiflexible polymers on planar and curved substrates
- Elastically-Driven Linker Aggregation between Two Semi-Flexible Polyelectrolytes
- Sampling from a polytope and hard-disk Monte Carlo
- CUDA programs for GPU computing of Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models
- Duality mapping and unbinding transitions of semiflexible and directed polymers
Cited by in corpus (13)
- Scalable Metropolis Monte Carlo for simulation of hard shapes
- Event-chain Monte Carlo: foundations, applications, and prospects
- Hard-sphere melting and crystallization with event-chain Monte Carlo
- Event-chain Monte Carlo for classical continuous spin models
- Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles
- Event-chain Monte Carlo algorithms for three- and many-particle interactions
- Monte Carlo Simulation of Dense Polymer Melts Using Event Chain Algorithms
- Efficient Equilibration of Hard Spheres with Newtonian Event Chains
- Event-Chain Monte-Carlo Simulations of Dense Soft Matter Systems
- Large-scale dynamics of event-chain Monte Carlo
- Sampling algorithms in statistical physics: a guide for statistics and machine learning
- A bond swap algorithm for simulating dynamically crosslinked polymers
- Event-chain Monte Carlo simulations of the liquid to solid transition of two-dimensional decagonal colloidal quasicrystals