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arXiv:hep-lat/9502007 · Physica A Statistical Mechanics and its Applications

Parallel cluster labeling for large-scale Monte Carlo simulations

Mike Flanigan, Pablo Tamayo

Published May 1, 1995• 19 citations
arXivHTMLPDF
DOI
10.1016/0378-4371(95)00019-4

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Because of its complexity, the 3D Ising model has not been given an exact analytic solution so far, as well as the 2D Ising in non zero external field conditions. In real materials the phase transition creates a discontinuity. We analysed the Ising model that presents similar discontinuities. We use Monte Carlo methods with a single spin change or a spin cluster change to calculate macroscopic quantities, such as specific heat and magnetic susceptibility. We studied the differences between these methods. Local MC algorithms (such as Metropolis) perform poorly for large lattices because they update only one spin at a time, so it takes many iterations to get a statistically independent configuration. More recent spin cluster algorithms use clever ways of finding clusters of sites that can be updated at once. The single cluster method is probably the best sequential cluster algorithm. We also used the entropic sampling method to simulate the density of states. This method takes into account all possible configurations, not only the most probable. The entropic method also gives good results in the 3D case. We studied the usefulness of distributed computing for Ising model. We established a parallelization strategy to explore Metropolis Monte Carlo simulation and Swendsen-Wang Monte Carlo simulation of this spin model using the data parallel languages on different platform. After building a computer cluster we made a Monte Carlo estimation of 2D and 3D Ising thermodynamic properties and compare the results with the sequential computing. In the same time we made quantitative analysis such as speed up and efficiency for different sets of combined parameters (e.g. lattice size, parallel algorithms, chosen model).
We study the efficiency and theory behind various Markov chain Monte Carlo update methods (later MCMC) in the classical Heisenberg model in three dimensions. Classical Heisenberg model is a model in statistical physics that describes ferromagnetic phenomena. Classical Heisenberg model is a generalization of the Ising model where the spin is three dimensional unit vector instead of scalar -1 or 1. Both models show a second order phase transition which is the main reason we are interested in these models. The transition in our case describes the loss of magnetization of a ferromagnet as it is heated to its Curie temperature. Monte Carlo simulating the Classical Heisenberg model uses the same MCMC update methods as the Ising model. We introduce the theoretical background of Metropolis, Overrelaxation, and Wolff single cluster updates and study the dynamic critical exponents of Metropolis and Wolff updates. Results of this study are as expected: metropolis suffers from critical slowing down near the phase transition temperature and the autocorrelation time scales to L^5.08 , where L^3 is the size of the lattice. Wolff single cluster update avoids critical slowing down and scales very well with autocorrelation time scaling to L^3.28 . Even though Wolff update scales much better it has its downsides. Parallelization is a very important factor in modern scientific computing and Wolff update is very tricky to parallelize where as Metropolis parallelizes very well. Usually we can avoid this problem by running multiple instances of the simulation at the same time as varying simulation parameters such as the temperature. For large lattices the problems is that getting moderate results requires a lot of time.