Title :
Molecular dynamics on transputer arrays
Author :
Perram, John W. ; Petersen, Henrik G.
Author_Institution :
Dept. of Mathj. & Comput. Sci., Odense Univ., Denmark
Abstract :
The implementation of a molecular dynamics simulation on a 10 transputer system is reported. The implementation exploits fully the geometric parallelism of the problem. A simple model of the computing and communications overheads leads to predictions of the optimal scaling of the problem size with the number of processors. The implementation exploits fully the domain decomposition paradigm in which load balancing is guaranteed by the compressibility theorem of statistical mechanics
Keywords :
digital simulation; parallel processing; physics computing; communications overheads; compressibility theorem; computing overheads; domain decomposition paradigm; geometric parallelism; load balancing; molecular dynamics simulation; optimal scaling; statistical mechanics; transputer arrays; Boundary conditions; Computational modeling; Computer architecture; Computer science; Computer simulation; Load management; Mathematics; Parallel processing; Predictive models; Slabs;
Conference_Titel :
Databases, Parallel Architectures and Their Applications,. PARBASE-90, International Conference on
Conference_Location :
Miami Beach, FL
Print_ISBN :
0-8186-2035-8
DOI :
10.1109/PARBSE.1990.77216
