作者: Günter Radons , Gudula Rünger , Michael Schwind , Hong-liu Yang
DOI: 10.1007/11558958_136
关键词:
摘要: Lyapunov vectors and exponents are of great importance for understanding the dynamics many-particle systems. We present results performance tests on different processor architectures several parallel implementations calculation all characteristics. For most time consuming reorthogonalization steps, which have to be combined with molecular simulations, we tested versions Gram-Schmidt algorithm QR-decomposition. The latter gave best respect runtime stability. large systems blockwise yields comparable results.