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Allen, M. P. and D. J. Tildesley. 1987. Computer Simulation of Liquids, Oxford University Press.

Deng, Y.; R. A. McCoy; R. B. Marr; and R. Peierls. 1995. ``An Unconventional Method for Load Balancing'', Proceedings of 7TH SIAM Conference on Parallel Processing. Stony Brook Preprint: SUNY-AMS-94-17.

Deng, Y; R. A. McCoy; R. B. Marr; R. Peierls; and O. Yasar. 1995. ``Molecular dynamics on distributed-memory MIMD computers with load balancing'', Apllied Math Letters (to appear). Stony Brook Preprint: SUNY-AMS-94-18.

Lomdahl, P. S.; P. Tamayo; N. Gronbech-Jensen; and D. M. Beazley. 1993. ``50 GFlops Molecular Dynamics on the Connection Machine 5'', In Proceedings of SUPERCOMPUTING 1993, IEEE Press.

Marr, R. B.; J. E. Pasciak; and R. Peierls. 1994. ``IPX - Preemptive remote procedure execution for concurrent applications'', Brookhaven National Laboratory Preprint: BNL60632.

Plimpton, S. 1993. ``Fast parallel algorithms for short-range molecular dynamics'', J. Comp. Phys. 117 (1995) 1-19.

Figure 2:   The first plot shows CPU time per step during a molecular dynamics simulation with load balancing (solid line) and with no load balancing (dashed line), for the same simulation of 1 M particles on 64 processors. The second plot shows the final configuration of processors domains for the load balanced caes. The boundaries are determined by mapping The locations of the two attracting points used to create the imbalance are indicated by circles.


Figure 3:   MD simulations of thin-film deposition onto trench substrates: 1000 Ti atoms with mean energy 1.0 eV and incident angle are deposited to a 32,000 atom trench whose width-to-depth ratio is 2.5. The substrate is kept at a temperature of 300 K.


Figure 4:   This figure shows the atom partition for the system shown by Figure 3.

Osman Yasar
Thu Jul 27 16:50:35 EDT 1995