@article{ozdogan2002,
title = {O(N) parallel tight binding molecular dynamics simulation of carbon nanotubes },
journal = {Computer Physics Communications },
volume = {148},
number = {2},
pages = {188 - 205},
year = {2002},
note = {},
issn = {0010-4655},
doi = {http://dx.doi.org/10.1016/S0010-4655(02)00553-2},
url = {http://www.sciencedirect.com/science/article/pii/S0010465502005532},
author = {Cem Özdoğan and Gülay Dereli and Tahir Çağın},
keywords = {O(N)},
keywords = {Parallelization},
keywords = {Tight-binding},
keywords = {Molecular dynamics},
keywords = {Carbon nanotubes},
keywords = {PVM },
abstract = {We report an O(N) parallel tight binding molecular dynamics simulation study of (10×10) structured carbon nanotubes (CNT) at 300 K. We converted a sequential O(N3) \{TBMD\} simulation program into an O(N) parallel code, utilizing the concept of parallel virtual machines (PVM). The code is tested in a distributed memory system consisting of a cluster with 8 PC's that run under Linux (Slackware 2.2.13 kernel). Our results on the speed up, efficiency and system size are given. }
}