Optimal allocation of replicas to processors in parallel tempering simulations

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6844-6849

  Earl, David J ^a   Deem, Michael W ^a  

^a Rice University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRIC CLOCKS; MATHEMATICAL MODELS; MONTE CARLO METHODS; PARAMETER ESTIMATION; PROBABILITY;

CLOCK TIME; COMMUNICATION TIMES; OPTIMAL ALLOCATION; PARALLEL TEMPERING SIMULATIONS;

PARALLEL PROCESSING SYSTEMS;

EID: 2942615100     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0376626     Document Type: Article

References (12)

1. Geyer, C. J. Markov Chain Monte Carlo Maximum Likelihood. In Computing Science and Statistics: Proceedings of the 23rd Symposium on the Interface; Keramidas, E. M., Ed.; American Statistical Association: New York, 1991.
2. Geyer, C. J.; Thompson, E. A. J. Am. Stat. Assn. 1995, 90, 909.
3. Marinari, E.; Parisi, G.; Ruiz-Lorenzo, J. Numerical Simulations of Spin Glass Systems. In Spin Glasses and Random Fields; Young, A., Ed.; World Scientific: Singapore, 1998; Vol 12.
4. Manousiouthakis, V. I.; Deem, M. W. J. Chem. Phys. 1999, 110, 2753.
5. Coffman, E. G. Computer and Job-Shop Scheduling Theory; Wiley: New York, 1976.
6. Ashour, S. Sequencing Theory; Springer-Verlag: New York, 1972.
7. Scheduler is available under the GPL at http://www.mwdeem.rice.edu/ scheduler.
8. Yan, Q.; de Pablo, J. J. J. Chem. Phys. 1999, 111, 9509.
9. Yan, Q.; de Pablo, J. J. J. Chem. Phys. 2000, 113, 1276.
10. Faller, R.; Yan, Q. L.; de Pablo, J. J. J. Chem. Phys. 2002, 116, 5419.
11. Bunker, A.; Dunweg, B. Phys. Rev. E 2001, 63, 010902.
12. Kofke, D. A. J. Chem. Phys. 2002, 117, 6911.