Title :
Domain decomposition scheme for parallel molecular dynamics simulation
Author :
Hayashi, Ryoko ; Horiguchi, Susumu
Author_Institution :
Sch. of Inf. Sci., Japan Adv. Inst. of Sci. & Technol., Ishikawa, Japan
fDate :
28 Apr-2 May 1997
Abstract :
Performances of domain decomposition schemes are discussed for 3-dimensional molecular dynamics simulation on parallel computers. Three types of domain decomposition schemes are applied for the molecular dynamics simulation: plane domain, square pillar domain, and cube domain. In order to decide the optimal simulation range of each domain, we give a theoretical performance analysis of parallel simulations by taking account of communication performances of MIMD parallel computers. The optimal simulation ranges for the three domain decomposition schemes are determined and are verified on a parallel computer CM-5
Keywords :
digital simulation; molecular dynamics method; parallel algorithms; performance evaluation; cube domain; domain decomposition scheme; optimal simulation range; parallel computer CM-5; parallel computers; parallel molecular dynamics simulation; plane domain; square pillar domain; Analytical models; Chemistry; Computational modeling; Computer simulation; Concurrent computing; Information science; Materials science and technology; Performance analysis; Physics; Shape;
Conference_Titel :
High Performance Computing on the Information Superhighway, 1997. HPC Asia '97
Conference_Location :
Seoul
Print_ISBN :
0-8186-7901-8
DOI :
10.1109/HPC.1997.592215
