Wang-Landau sampling: Saving CPU time

被引:5
|
作者
Ferreira, L. S. [1 ]
Jorge, L. N. [1 ,2 ]
Leao, S. A. [1 ]
Caparica, A. A. [1 ]
机构
[1] Univ Fed Goias, Inst Fis, Av Esperanca S-N, BR-74690900 Goiania, Go, Brazil
[2] Inst Fed Mato Grosso, Campus Caceres Prof Olegario Baldo,Av Ramires S-N, BR-78200000 Caceres, MT, Brazil
关键词
Wang-Landau method; CPU time; Threshold of convergence; CRITICAL-BEHAVIOR; MODEL; SIMULATIONS;
D O I
10.1016/j.jcp.2018.01.003
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
In this work we propose an improvement to the Wang-Landau (WL) method that allows an economy in CPU time of about 60% leading to the same results with the same accuracy. We used the 2D Ising model to show that one can initiate all WL simulations using the outputs of an advanced WL level from a previous simulation. We showed that up to the seventh WL level (f(6)) the simulations are not biased yet and can proceed to any value that the simulation from the very beginning would reach. As a result the initial WL levels can be simulated just once. It was also observed that the saving in CPU time is larger for larger lattice sizes, exactly where the computational cost is considerable. We carried out high-resolution simulations beginning initially from the first WL level (f(0)) and another beginning from the eighth WL level (f(7)) using all the data at the end of the previous level and showed that the results for the critical temperature T-c and the critical static exponents beta and gamma coincide within the error bars. Finally we applied the same procedure to the 1/2-spin Baxter-Wu model and the economy in CPU time was of about 64%. (C) 2018 Elsevier Inc. All rights reserved.
引用
收藏
页码:130 / 134
页数:5
相关论文
共 50 条
  • [1] Wang-Landau sampling of lattice multiblock copolymers
    Bull, Robert F.
    Farris, Alfred C. K.
    Landau, David P.
    JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (10)
  • [2] Scalable replica-exchange framework for Wang-Landau sampling
    Vogel, Thomas
    Li, Ying Wai
    Wuest, Thomas
    Landau, David P.
    PHYSICAL REVIEW E, 2014, 90 (02):
  • [3] Generic, Hierarchical Framework for Massively Parallel Wang-Landau Sampling
    Vogel, Thomas
    Li, Ying Wai
    Wuest, Thomas
    Landau, David P.
    PHYSICAL REVIEW LETTERS, 2013, 110 (21)
  • [4] Wang-Landau approach to the simulation of water clusters
    Yin, Junqi
    Landau, David P.
    MOLECULAR SIMULATION, 2019, 45 (4-5) : 241 - 248
  • [5] Wang-Landau sampling of the interplay between surface adsorption and folding of HP lattice proteins
    Li, Y. W.
    Wuest, T.
    Landau, D. P.
    MOLECULAR SIMULATION, 2014, 40 (7-9) : 640 - 655
  • [6] Dynamical traps in Wang-Landau sampling of continuous systems: Mechanism and solution
    Koh, Yang Wei
    Sim, Adelene Y. L.
    Lee, Hwee Kuan
    PHYSICAL REVIEW E, 2015, 92 (02):
  • [7] Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling
    Li, Ying Wai
    Wuest, Thomas
    Landau, David P.
    IUPAP C20 CONFERENCE ON COMPUTATIONAL PHYSICS (CCP 2011), 2012, 402
  • [8] An Adaptive Image Watermarking Method Combining SVD and Wang-Landau Sampling in DWT Domain
    Wang, Baowei
    Zhao, Peng
    MATHEMATICS, 2020, 8 (05)
  • [9] The application of Wang-Landau algorithm for simulation of ferroelectrics
    Egorov, V. I.
    Maksimova, O. G.
    FERROELECTRICS, 2019, 543 (01) : 75 - 80
  • [10] Improving the Wang-Landau Algorithm for Polymers and Proteins
    Swetnam, Adam D.
    Allen, Michael P.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (05) : 816 - 821