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