Random number generators tested on quantum Monte Carlo simulations

Authors

  • Kenta Hongo,

    Corresponding author
    1. School of Information Science, Japan Advanced Institute of Science and Technology, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan
    • School of Information Science, Japan Advanced Institute of Science and Technology, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan
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  • Ryo Maezono,

    1. School of Information Science, Japan Advanced Institute of Science and Technology, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan
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  • Kenichi Miura

    1. Center for Grid Research and Development, National Institute of Informations, 2-1-2 Hitotsubashi, Chiyoda-ku, Tokyo 101-8430, Japan
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Abstract

We have tested and compared several (pseudo) random number generators (RNGs) applied to a practical application, ground state energy calculations of molecules using variational and diffusion Monte Carlo metheds. A new multiple recursive generator with 8th-order recursion (MRG8) and the Mersenne twister generator (MT19937) are tested and compared with the RANLUX generator with five luxury levels (RANLUX-[0–4]). Both MRG8 and MT19937 are proven to give the same total energy as that evaluated with RANLUX-4 (highest luxury level) within the statistical error bars with less computational cost to generate the sequence. We also tested the notorious implementation of linear congruential generator (LCG), RANDU, for comparison. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010

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