Title :
Performance of LAMMPS Code on Intel Quad-Core Xeon
Author :
Bai, Mingze ; Dou, Yusheng ; Tang, Hong ; Sun, Shixin
Abstract :
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code was examined in an Intel Quad-Core Xeon platform for its speedup and scaling ability. The study shows that the most time-consuming task in the code is force computing and this part can be scaled linearly. However, other tasks do not have this feature. Future work will focus on speeding up of these other parts to enhance the performance of the molecular dynamics program.
Keywords :
molecular dynamics method; parallel architectures; performance evaluation; Intel Quad-Core Xeon; LAMMPS Code; Large-scale Atomic/Molecular Massively Parallel Simulator; molecular dynamics program; Biological system modeling; Chemistry; Computational modeling; Computer architecture; Large-scale systems; Multicore processing; Open source software; Parallel processing; Potential energy; Sun; Performance LAMMPS multi-core;
Conference_Titel :
Network and Parallel Computing, 2009. NPC '09. Sixth IFIP International Conference on
Conference_Location :
Gold Coast, QLD
Print_ISBN :
978-1-4244-4990-3
Electronic_ISBN :
978-0-7695-3837-2
DOI :
10.1109/NPC.2009.31
