Dynamic load balancing for short-range parallel molecular dynamics simulations

International Journal of Computer Mathematics

Volumn 79, Issue 2, 2002, Pages 165-177

  Zeyao, M O ^a,b   Jinglin, Zhang ^a   Qingdong, Cai ^b  

^a National Key Laboratory of Computational Physics   (China)

^b Peking University   (China)

Author keywords

Dynamic load imbalance; MPI; Multilevel Averaging Weight algorithm; Parallel molecular dynamics simulation

Indexed keywords

ALGORITHMS; AUTOMATA THEORY; CONVERGENCE OF NUMERICAL METHODS; ITERATIVE METHODS; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS; PERSONAL COMPUTERS; PROBLEM SOLVING; SWITCHES;

DYNAMIC LOAD IMBALANCE; MPI; MULTIPLE AVERAGING WEIGHT ALGORITHMS; PARALLEL MOLECULAR DYNAMICS SIMULATION;

COMPUTER SIMULATION;

EID: 9444220657     PISSN: 00207160     EISSN: 10290265     Source Type: Journal    
DOI: 10.1080/00207160211920     Document Type: Article

References (12)

1. Mo Zeyao and Zhang Baolin (2001). Multilevel averaging weight method for dynamic load imbalance problems, Intern. J. Computer Math., Vol. 77, to appear.
2. Kohring, G. A. (1995). Dynamic load balancing for parallelized particle simulations on MIMD computers, Parallel Computing, 21, 683-693.
3. Heerman, D. W., Computer simulation methods in Theoretical Physics, Springer-Verlag Tokyo, 1990. 2nd edition.
4. Plimpton, S. (1995). Fast parallel algorithms for short-range molecular dynamics, J. of Comp. Phys., 117, 1-19.
5. Tamayo, P., Mesirov, J. P. and Boghosian, B. M. (1991). Parallel approaches to short range molecular dynamics simulations. In: Proceedings of supercomputing '91, pp. 462-470.
6. Beazley, D. M. and Lomdahl, P. S. (1994). Message-passing multi-cell molecular dynamics on the Connection Machine 5, Parallel Computing, 20, 173-195.
7. Bruge, F. and Fornili, S. L. (1990). Concurrent molecular dynamics simulation of spinodal phase transition on transputer arrays, Computer Physics Communications, 60, 31-38.
8. Matsubara, M., Itakura, K. and Boku, T. (1998). Large scale molecular dynamics simulations on CP-PACS, In: Proceedings of HPC ASIA '98, pp. 321-331.
9. Hayashi, R. and Horiguchi, S. (1999). Relationships between efficiency of dynamic load balancing and particle concentration for parallel molecular dynamics simulation, In: Proceedings of HPC ASIA '99, pp. 976-983.
10. Fonlupt, C., Marquet, P. and Dekeyser, J. (1998). Data-parallel load balancing strategies, Parallel Computing, 24, 1665-1684.
11. Ciccotti, G. and Hoover, W. G. Eds. (1986). Molecular dynamics simulations of Statistical-Mechanical systems, North-Holland, Amsterdam.
12. Gropp, W., Lusk, E. and Skjellum, A. (1994). Using MPI: portable parallel programming with the message-passing interface, Cambridge, MA, MIT Press.