TY - GEN
T1 - Parallel two-level simulated annealing
AU - Xue, Guo Liang
N1 - Funding Information:
This research was supported in part by the Army Research Office contract number DAAL03-89-C-O038 with the University of Minnesota Army High Performance Computing Research Center. I am grateful to Dr. Jorge Mor6 from Argonne National Laboratory for introducing me to the wonderful field of Molecular Conformation. I would like to thank Dr. D .G. Vlachos for stimulating discussions and for giving me a copy of reference [25]. Thanks are due to Drs. Ben Rosen, Panes Parda-10S, Bob Maier, Juan Maza, Jill Mesirov, Gorge Wilcox, and David Ferguson for helpful discussions. Finally, I would like to thank Drs. Gorge Sell and Don Austin for their consistent support and encouragement.
PY - 1993/8/1
Y1 - 1993/8/1
N2 - In this paper, we propose a new kind of simulated annealing algorithm called two-level simulated annealing for solving certain class of hard combinatorial optimization problems. This two-level simulated annealing algorithm is less likely to get stuck at a non-global minimizer than conventional simulated annealing algorithms. We also propose a parallel version of our two-level simulated annealing algorithm and discuss its efficiency. This new technique is then applied to the Molecular Conformation problem in 3 dimensional Euclidean space and implemented on the Thinking Machines CM-5. With the full Lennard-Jones potential function, we were able to get satisfactory results for clusters with as many as 100, 000 atoms. A peak rate of over 0.8 giga flop per second in 64-bit operations was sustained on a partition with 512 processing elements. To the best of our knowledge, ground states of Lennard-Jones clusters of as large as these have never been reported before.
AB - In this paper, we propose a new kind of simulated annealing algorithm called two-level simulated annealing for solving certain class of hard combinatorial optimization problems. This two-level simulated annealing algorithm is less likely to get stuck at a non-global minimizer than conventional simulated annealing algorithms. We also propose a parallel version of our two-level simulated annealing algorithm and discuss its efficiency. This new technique is then applied to the Molecular Conformation problem in 3 dimensional Euclidean space and implemented on the Thinking Machines CM-5. With the full Lennard-Jones potential function, we were able to get satisfactory results for clusters with as many as 100, 000 atoms. A peak rate of over 0.8 giga flop per second in 64-bit operations was sustained on a partition with 512 processing elements. To the best of our knowledge, ground states of Lennard-Jones clusters of as large as these have never been reported before.
UR - http://www.scopus.com/inward/record.url?scp=84955403120&partnerID=8YFLogxK
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U2 - 10.1145/165939.166011
DO - 10.1145/165939.166011
M3 - Conference contribution
AN - SCOPUS:84955403120
T3 - Proceedings of the International Conference on Supercomputing
SP - 357
EP - 366
BT - Proceedings of the 7th International Conference on Supercomputing, ICS 1993
PB - Association for Computing Machinery
T2 - 7th International Conference on Supercomputing, ICS 1993
Y2 - 19 July 1993 through 23 July 1993
ER -