Performance and Cost Effectiveness of a Cluster of Workstations and MD-GRAPE 2 for MD Simulations

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Second International Symposium on Parallel and Distributed Computing

Ljubljana, Slovenia

October 13-October 14

ISBN: 0-7695-2069-3

	ASCII Text	x
	J. V. Sumanth, David R. Swanson, Hong Jiang, "Performance and Cost Effectiveness of a Cluster of Workstations and MD-GRAPE 2 for MD Simulations," Parallel and Distributed Computing, International Symposium on, pp. 244, Second International Symposium on Parallel and Distributed Computing, 2003.

	BibTex	x
	@article{ 10.1109/ISPDC.2003.1267670, author = {J. V. Sumanth and David R. Swanson and Hong Jiang}, title = {Performance and Cost Effectiveness of a Cluster of Workstations and MD-GRAPE 2 for MD Simulations}, journal ={Parallel and Distributed Computing, International Symposium on}, volume = {0}, year = {2003}, isbn = {0-7695-2069-3 }, pages = {244}, doi = {http://doi.ieeecomputersociety.org/10.1109/ISPDC.2003.1267670}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, }

	RefWorks Procite/RefMan/Endnote	x
	TY - CONF JO - Parallel and Distributed Computing, International Symposium on TI - Performance and Cost Effectiveness of a Cluster of Workstations and MD-GRAPE 2 for MD Simulations SN - 0-7695-2069-3 SP EP A1 - J. V. Sumanth, A1 - David R. Swanson, A1 - Hong Jiang, PY - 2003 KW - null VL - 0 JA - Parallel and Distributed Computing, International Symposium on ER -

J. V. Sumanth, University of Nebraska-Lincoln, Lincoln, NE

David R. Swanson, University of Nebraska-Lincoln, Lincoln, NE

Hong Jiang, University of Nebraska-Lincoln, Lincoln, NE

DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/ISPDC.2003.1267670

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 single MD-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.

Citation:

J. V. Sumanth, David R. Swanson, Hong Jiang, "Performance and Cost Effectiveness of a Cluster of Workstations and MD-GRAPE 2 for MD Simulations," ispdc, pp.244, Second International Symposium on Parallel and Distributed Computing, 2003

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