Load balancing in parallel molecular dynamics

L. V. Kalé; Milind Bhandarkar; Robert Brunner

doi:10.1007/bfb0018544

Load balancing in parallel molecular dynamics

L. V. Kalé, Milind Bhandarkar, Robert Brunner

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Implementing a parallel molecular dynamics as a parallel application presents some unique load balancing challenges. Non-uniform distribution of atoms in space, along with the need to avoid symmetric redundant computations, produces a highly irregular computational load. Scalability and efficiency considerations produce further irregularity. Also, as the simulation evolves, the movement of atoms causes changes in the load distributions. This paper describes the use of an object-based, measurement-based load balancing strategy for a parallel molecular dynamics application, and its impact on performance.

Original language	English (US)
Title of host publication	Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings
Publisher	Springer
Pages	251-261
Number of pages	11
ISBN (Print)	3540648097, 9783540648093
DOIs	https://doi.org/10.1007/bfb0018544
State	Published - 1998
Event	5th International Symposium on Solving Irregularly Structured Problems in Parallel, IRREGULAR 1998 - Berkeley, CA, United States Duration: Aug 9 1998 → Aug 11 1998

Publication series

Name	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume	1457 LNCS
ISSN (Print)	0302-9743
ISSN (Electronic)	1611-3349

Other

Other	5th International Symposium on Solving Irregularly Structured Problems in Parallel, IRREGULAR 1998
Country/Territory	United States
City	Berkeley, CA
Period	8/9/98 → 8/11/98

ASJC Scopus subject areas

Theoretical Computer Science
General Computer Science

Online availability

10.1007/bfb0018544

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Kalé, L. V., Bhandarkar, M., & Brunner, R. (1998). Load balancing in parallel molecular dynamics. In Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings (pp. 251-261). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 1457 LNCS). Springer. https://doi.org/10.1007/bfb0018544

Load balancing in parallel molecular dynamics. / Kalé, L. V.; Bhandarkar, Milind; Brunner, Robert.
Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings. Springer, 1998. p. 251-261 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 1457 LNCS).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kalé, LV, Bhandarkar, M & Brunner, R 1998, Load balancing in parallel molecular dynamics. in Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), vol. 1457 LNCS, Springer, pp. 251-261, 5th International Symposium on Solving Irregularly Structured Problems in Parallel, IRREGULAR 1998, Berkeley, CA, United States, 8/9/98. https://doi.org/10.1007/bfb0018544

Kalé LV, Bhandarkar M, Brunner R. Load balancing in parallel molecular dynamics. In Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings. Springer. 1998. p. 251-261. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)). doi: 10.1007/bfb0018544

Kalé, L. V. ; Bhandarkar, Milind ; Brunner, Robert. / Load balancing in parallel molecular dynamics. Solving Irregularly Structured Problems in Parallel - 5th International Symposium, IRREGULAR 1998, Proceedings. Springer, 1998. pp. 251-261 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)).

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Load balancing in parallel molecular dynamics

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