提出一种蒙特卡洛方法并行计算高分子的单链性质,高分子链采用自回避行走方法生成初始状态,链节点的随机运动通过键长涨落方法进行模拟。自回避链的配分函数没有解析解,研究高分子链的性质往往要计算大量的样本。利用样本之间的独立性进行并行计算达到线性加速比,使蒙特卡洛模拟高分子链的并行计算时间缩短到科学计算可以接受的时间范围。
This paper presented a parallel Monte Carlo method for the calculation of a single polymer chain. It used self-avoi- ding walk method to generate the initial state of polymer chain, and simulated the random motion of the chain by the bond-fluc- tuation method. For no analytical solution may calculate chain partition function, properties of polymer chains tend to be calcu- lated by large number of samples. It developed parallel program for computing the independent samples to reach the linear speedup. Parallel execution time was acceptable for parallel Monte Carlo simulation of polymer chains.