O(N) parallel tight binding molecular dynamics simulation of carbon nanotubes Academic Article uri icon

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. © 2002 Elsevier Science B.V. All rights reserved.

author list (cited authors)

  • Özdoğan, C., Dereli, G., & Çağın, T.

citation count

  • 9

publication date

  • October 2002