@article{d0c6263ae0c54415a5fb790d1a3ba489,
title = "Molecular dynamics on distributed-memory MIMD computers with load balancing",
abstract = "We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.",
keywords = "Dynamic load balance, Lennard-Jones potential, Line-cell algorithm, Molecular dynamics, Parallel computing",
author = "Deng, {Y. F.} and McCoy, {R. A.} and Marr, {R. B.} and Peierls, {R. F.} and O. Yasar",
note = "Funding Information: Parallel computers have generated new interest in MD applications; many MD algorithms are amenable to parallelization and thus offer new hope for large systems of particles. Among the naturally parallelizable MD algorithms are those based on classical, short-range force models. The force exerted on a particle comes only from particles spatially residing within some cutoff The work of Y.-F. Deng and R. A. McCoy was partially supported by the Applied Mathematics Subprogram of the U.S. Department of Energy, Office of Scientific Computing, under Grant DE-FG02-90ER25084. The work at Brookhaven National Laboratory was supported by the U.S. Department of Energy under contract number DE-AC02-76CH00016. The work at Oak Ridge National Laboratory was supported by the U.S. Department of Energy under contract number DE-AC05-84OR21400. We thank the Oak Ridge National Laboratory and the Center for Computational Sciences staff and G. Hartman of Intel for their support in providing time on the Paragon XP/S 35 at ONRL-Center for Computational Sciences.",
year = "1995",
month = may,
doi = "10.1016/0893-9659(95)00027-N",
language = "English (US)",
volume = "8",
pages = "37--41",
journal = "Applied Mathematics Letters",
issn = "0893-9659",
publisher = "Elsevier Ltd",
number = "3",
}