Abstract In molecular dynamic simulations, there are frequent occasions to store timing information about potential interactions between all pairs of N particles. Both the execution time and memory size of the event-list limit the scale of the simulation. We have developed an event-scheduling algorithm that requires fewer entries for the event-list than the number of potential events. With entries of only several factors of N , the algorithm performs the simulation with a negligible overhead of execution time compared with the case of full entry, regardless of the number of potential interactions. For large scale simulation, the reduction of the event-list prevents paging activity and shortens elapsed time drastically.
[1]
Toshio Kawai,et al.
An Inelastic Collision Model for the Evolution of “Planetary Rings”
,
1990
.
[2]
D. C. Rapaport,et al.
The event scheduling problem in molecular dynamic simulation
,
1980
.
[3]
B. Alder,et al.
Studies in Molecular Dynamics. I. General Method
,
1959
.
[4]
David A. Patterson,et al.
Computer Architecture: A Quantitative Approach
,
1969
.
[5]
Jan Trulsen,et al.
Numerical simulation of jetstreams
,
1972
.
[6]
Toshio Kawai,et al.
Cluster formation by inelastically colliding particles in one-dimensional space
,
1989
.