Title of article
O(N) parallel tight binding molecular dynamics simulation of carbon nanotubes Original Research Article
Author/Authors
Cem ?zdo?an، نويسنده , , Gülay Dereli، نويسنده , , Tahir Cagin، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2002
Pages
18
From page
188
To page
205
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 PCʹs that run under Linux (Slackware 2.2.13 kernel). Our results on the speed up, efficiency and system size are given.
Keywords
Tight-binding , molecular dynamics , PVM , Carbon nanotubes , O(N) , Parallelization
Journal title
Computer Physics Communications
Serial Year
2002
Journal title
Computer Physics Communications
Record number
1136072
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