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

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.

authors

• Cagin, Tahir

published proceedings

• Computer Physics Communications

author list (cited authors)

• zdoan, C., Dereli, G., & an, T.

citation count

• 10

complete list of authors

• Özdoğan, Cem||Dereli, Gülay||Çağın, Tahir

publication date

• October 2002

publisher

• Elsevier  Publisher

published in

• Computer Physics Communications  Journal

Digital Object Identifier (DOI)

• 10.1016/s0010-4655(02)00553-2

start page

• 188

end page

• 205

volume

• 148

issue

• 2

URL

• http%3A%2F%2Fdx.doi.org%2F10.1016%2Fs0010-4655%2802%2900553-2