Sublattice parallel replica dynamics

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 89, Issue 6, 2014, Pages

  Martínez, Enrique ^a   Uberuaga, Blas P ^a   Voter, Arthur F ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DOMAIN DECOMPOSITION METHODS; MOLECULAR DYNAMICS;

ANALYTICAL EXPRESSIONS; ATOMISTIC SIMULATIONS; COMPUTING PARADIGM; EXASCALE COMPUTING; PHYSICAL SYSTEMS; SAMPLE SIZES; SCIENTIFIC COMMUNITY; WHOLE MACHINE;

APPROXIMATION ALGORITHMS;

ALGORITHM; COMPUTER SIMULATION; FLOW KINETICS; MATHEMATICAL COMPUTING; PROCEDURES; THEORETICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; MODELS, THEORETICAL; NUMERICAL ANALYSIS, COMPUTER-ASSISTED; RHEOLOGY;

EID: 84903624823     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.89.063308     Document Type: Article

References (21)

1. T. C. Germann, http://exmatex.lanl.gov/ (unpublished).
2. S. Plimpton, J. Comput. Phys. 117, 1 (1995). JCTPAH 0021-9991 10.1006/jcph.1995.1039
3. A. F. Voter, Phys. Rev. B 57, R13985 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.R13985
4. C. LeBris, T. Lelièvre, M. Luskin, and D. Perez, Monte Carlo Methods Apps. 18, 119 (2012).
5. L. Baffico, S. Bernard, Y. Maday, G. Turinici, and G. Zérah, Phys. Rev. E 66, 057701 (2002). 1063-651X 10.1103/PhysRevE.66.057701 (Pubitemid 40618618)
6. X. Dai, C. L. Bris, F. Legoll, and Y. Maday, Math. Model. Num. Anal. 47, 717 (2013). RMMAEV 0764-583X 10.1051/m2an/2012046
7. R. E. Miller and E. B. Tadmor, Modeling Simul. Mater. Sci. Eng. 17, 053001 (2009). MSMEEU 0965-0393 10.1088/0965-0393/17/5/053001
8. R. E. Rudd and J. Q. Broughton, Phys. Rev. B 58, R5893 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.58.R5893
9. R. E. Rudd and J. Q. Broughton, Phys Status Solidi B 217, 251 (2000). PSSBBD 0370-1972 10.1002/(SICI)1521-3951(200001)217:1<251::AID-PSSB251>3. 3.CO;2-1
10. L. D. Nguyen, K. L. Baker, and D. H. Warner, Phys. Rev. B 84, 024118 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.024118
11. K. L. Baker and D. H. Warner, Model. Simul. Mater. Sci. Eng. 20, 065005 (2012). MSMEEU 0965-0393 10.1088/0965-0393/20/6/065005
12. W. K. Kim, M. Luskin, D. Perez, A. F. Voter, and E. B. Tadmor, J. Mech. Phys. Solids 63, 94 (2014). JMPSA8 0022-5096 10.1016/j.jmps.2013.10.001
13. Los Alamos National Laboratory, Roadrunner computer, http://www.lanl.gov/ roadrunner/index.shtml (unpublished).
14. M. S. Daw and M. I. Baskes, Phys. Rev. Lett. 50, 1285 (1983). PRLTAO 0031-9007 10.1103/PhysRevLett.50.1285
15. Y. Shim and J. G. Amar, Phys. Rev. B 71, 125432 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.71.125432 (Pubitemid 40771148)
16. E. Martinez, P. R. Monasterio, and J. Marian, J. Comp. Phys. 230, 1359 (2011). JCTPAH 0021-9991 10.1016/j.jcp.2010.11.006
17. Y. Shim, J. G. Amar, B. P. Uberuaga, and A. F. Voter, Phys. Rev. B 76, 205439 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.205439
18. http://hpc.lanl.gov/mapache-home (unpublished). Each node has two Quad-Core Xeon X5550 processors for a total of eight processor cores per node. The CPUs run at 2.66 GHz. Each node has 24 GB of memory, or 3 GB per core. Memory runs at 1333 MHz (32 GB/s read bandwidth). The L3 cache is 8 MB. Its motherboard is a Supermicro X8DTG-DF. The Conejo cluster has 620 nodes. Its aggregate cluster performance is 52.8 TF/s with 14.8 TB of memory on 4960 cores. It has 20 I/O Gateway nodes which interface with a Panasas parallel file system infrastructure.
19. A. F. Voter and A. P. Chen, Mater. Res. Soc. Symp. Proc. 82, 175 (1987). 1946-4274 10.1557/PROC-82-175
20. A. F. Voter, Los Alamos Unclassified Tech. Report No. LA-UR-93-3901, Los Alamos National Laboratory, 1993 (unpublished).
21. Note that the results from this calculation should be equivalent to running SLPRD with a single domain.