Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations

J. V. Sumanth; David R. Swanson; Hong Jiang

doi:10.1109/ISPDC.2003.1267670

Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations

J. V. Sumanth, David R. Swanson, Hong Jiang

Computer Science and Engineering

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

2 Scopus citations

Abstract

Molecular dynamics (MD) simulations are performed on systems of various sizes up to 32 million atoms. Performance is compared between an MD-GRAPE 2 board, specialized hardware optimized for MD, and a general purpose cluster computer utilizing varied numbers of processors for both short- and long-range potentials. While it is possible to outperform a singleMD-GRAPE 2 board with a sufficient number of processors, tests verses a local cluster and comparison of original purchase price show the MD-GRAPE 2 board is often cost-effective. Potential-specific considerations are discussed.

Original language	English (US)
Title of host publication	Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	244-249
Number of pages	6
ISBN (Electronic)	0769520693, 9780769520698
DOIs	https://doi.org/10.1109/ISPDC.2003.1267670
State	Published - 2015
Event	2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003 - Ljubljana, Slovenia Duration: Oct 13 2003 → Oct 14 2003

Publication series

Name	Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003

Other

Other	2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003
Country/Territory	Slovenia
City	Ljubljana
Period	10/13/03 → 10/14/03

ASJC Scopus subject areas

Computer Science Applications
Software
Hardware and Architecture
Computational Theory and Mathematics

Access to Document

10.1109/ISPDC.2003.1267670

Cite this

Sumanth, J. V., Swanson, D. R., & Jiang, H. (2015). Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations. In Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003 (pp. 244-249). Article 1267670 (Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/ISPDC.2003.1267670

Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations. / Sumanth, J. V.; Swanson, David R.; Jiang, Hong.
Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003. Institute of Electrical and Electronics Engineers Inc., 2015. p. 244-249 1267670 (Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003).

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

Sumanth, JV, Swanson, DR & Jiang, H 2015, Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations. in Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003., 1267670, Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003, Institute of Electrical and Electronics Engineers Inc., pp. 244-249, 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003, Ljubljana, Slovenia, 10/13/03. https://doi.org/10.1109/ISPDC.2003.1267670

Sumanth JV, Swanson DR, Jiang H. Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations. In Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003. Institute of Electrical and Electronics Engineers Inc. 2015. p. 244-249. 1267670. (Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003). doi: 10.1109/ISPDC.2003.1267670

Sumanth, J. V. ; Swanson, David R. ; Jiang, Hong. / Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations. Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003. Institute of Electrical and Electronics Engineers Inc., 2015. pp. 244-249 (Proceedings - 2nd International Symposium on Parallel and Distributed Computing, ISPDC 2003).

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Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations

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