Parallelization of a molecular dynamics simulation of an ion-surface collision
Yükleniyor...
Tarih
2005
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
World Scientific Publ Co Pte Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Parallel molecular dynamics simulation study of the ion-surface collision system is reported. A sequential molecular dynamics simulation program is converted into a parallel code utilizing the concept of parallel virtual machine (PVM). An effective and favorable algorithm is developed. Our parallelization of the algorithm shows that it is more efficient because of the optimal pair listing, linear scaling, and constant behavior of the internode communications. The code is tested in a distributed memory system consisting of a cluster of eight PCs that run under Linux (Debian 2.4.20 kernel). Our results on the collision system are discussed based on the speed up, efficiency and the system size. Furthermore, the code is used for a full simulation of the Ar-Ni(100) collision system and calculated physical quantities are presented.
Açıklama
ATIS, Murat/0000-0003-4429-6897; Ozdogan, Cem/0000-0002-9644-0013
Anahtar Kelimeler
parallel, molecular dynamics, linear scaling, ion-surface collision, sputtering, PVM
Kaynak
International Journal Of Modern Physics C
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
16
Sayı
6
Künye
closedAccess
