A simple asynchronous replica-exchange implementation

Nuovo Cimento della Societa Italiana di Fisica C

Volumn 32, Issue 2, 2009, Pages 61-65

  Bussi, Giovanni ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 72949115755     PISSN: 20374909     EISSN: 18269885     Source Type: Journal    
DOI: 10.1393/ncc/i2009-10369-8     Document Type: Article

References (16)

1. SWENDSEN R. and WANG J., Phys. Rev. Lett., 57(1986)2607.
2. HANSMANN U. H. E., Chem. Phys. Lett., 281(1997)140.
3. SUGITA Y. and OKAMOTO Y., Chem. Phys. Lett., 314(1999)141.
4. FUKUNISHI H., WATANABE O. and TAKADA S., J. Chem. Phys., 116(2002)9058.
5. JANG S., SHIN S and PAK Y., Phys. Rev. Lett., 91(2003)58305.
6. LIU P., KIM B., FRIESNER R. A. and BERNE B. J., Proc. Natl. Acad. Sci. U.S.A., 102(2005)13749.
7. SUGITA Y., KITAO A. and OKAMOTO Y., J. Chem. Phys., 113(2000)6042.
8. Bussi G., GERVASIO F. L., LAIO A. and PARRINELLO M., J. Am. Chem. Soc., 128(2006)13435.
9. SlNDHlKARA D., MENG Y. and ROITBERG A., J. Chem. Phys., 128(2008)024103.
10. ALLEN M. P. and TILDESLEY D. J., Computer Simulation of Liquids (Oxford University Press, Oxford) 1987.
11. MARINARI E. and PARISI G., Europhys. Lett., 19(1992)451.
12. HAGEN M., KIM B., LIU P., FRIESNER R. and BERNE B., J. Phys. Chem. B., 111 (2007)1416.
13. http://www.mpi-forum.org/.
14. ZHANG L., PARASHAR M., GALLICCHIO E. and LEVY R., Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications, in Proceedings of the 2006 International Conference on Parallel Processing (IEEE Computer Society Washington, DC, USA) 2006,pp.127-134.
15. GALLICCHIO E., LEVY R. and PARASHAR M., J. Comput. Chem., 29(2008)788.
16. BUSSI G., DONADIO D. and PARRINELLO M., J. Chem. Phys., 126(2007)014101.