School of Information Science, Japan Advanced Institute of Science and Technology, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan.
J Comput Chem. 2010 Aug;31(11):2186-94. doi: 10.1002/jcc.21509.
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.
我们已经测试和比较了几种（伪）随机数生成器（RNG）在一个实际应用中的应用，即使用变分和扩散蒙特卡罗方法计算分子的基态能量。我们测试并比较了一个具有 8 阶递归的新的多重递归生成器（MRG8）和梅森旋转木马生成器（MT19937），以及具有五个奢侈级别（RANLUX-[0-4]）的 RANLUX 生成器。MRG8 和 MT19937 都被证明在统计误差范围内与 RANLUX-4（最高奢侈级别）给出相同的总能量，生成序列的计算成本更低。我们还测试了著名的线性同余生成器（LCG）RANDU 的实现，以作比较。
