Molecular dynamics comes of age: 320 billion atom simulation on BlueGene/L

International Journal of Modern Physics C

Volumn 17, Issue 12, 2006, Pages 1755-1761

  Kadau, Kai ^a   Germann, Timothy C ^b   Lomdahl, Peter S ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Blue gene light; High performance computing (HPC); Molecular dynamics; SPaSM; large scale

Indexed keywords

EID: 33846371456     PISSN: 01291831     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0129183106010182     Document Type: Article

References (16)

1. B. J. Alder and T. E. Wainwright, J. Chem. Phys. 27, 1208 (1957).
2. A. Gara et al., IBM J. Res. & Dev. 49, 195 (2005).
3. T. C. Germann, K. Kadau and P. S. Lomdahl, Supercomputing '05, SC05 IEEE ACM 1-59593-061-2/05/0011 (2005).
4. P. S. Lomdahl, P. Tamayo, N. Grønbech-Jensen and D. M. Beazley, Proceedings of Supercomputing 1998, ed. G. S. Ansell (IEEE Computer Society Press, Los Alamitos, CA, 1993), p. 520.
5. D. M. Beazley and P. S. Lomdahl, Parallel Computing 20, 173 (1994).
6. D. M. Beazley and P. S. Lomdahl, Comput. Phys. 11, 230 (1997).
7. K. Kadau, T. C. Germann and P. S. Lomdahl, Int. J. Mod. Phys. C 15, 193 (2004).
8. J. Roth, F. Gähler and H.-R. Trebin, Int. J. Mod. Phys. C 11, 317 (2000).
9. D. C. R.apaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).
10. http://www.unix-mcs.anl.gov/mpi
11. B. L. Holian and P. S. Lomdahl, Science 280, 2085 (1998).
12. T. C. Germann, B. L. Holian, P. S. Lomdahl and R. Ravelo, Phys. Rev. Lett. 84, 5351 (2000).
13. K. Kadau, T. C. Germann, P. S. Lomdahl and B. L. Holian, Science 296, 1681 (2002).
14. K. Kadau, T. C. Germann, N. G. Hadjiconstantinou, P. S. Lomdahl, G. Dimonte, B. L. Holian and B. J. Alder, Proc. Natl. Acad. Sci. 101, 5851 (2004).
15. T. C. Germann, K. Kadau, I. M. Longini, Jr. and C. A. Macken, Proc. Natl. Acad. Sci. 103, 5935 (2006).
16. http://www.top500.org