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Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer

Publication ,  Conference
Shaw, DE; Grossman, JP; Bank, JA; Batson, B; Butts, JA; Chao, JC; Deneroff, MM; Dror, RO; Even, A; Fenton, CH; Forte, A; Gagliardo, J; Ho, CR ...
Published in: International Conference for High Performance Computing, Networking, Storage and Analysis, SC
January 16, 2014

Anton 2 is a second-generation special-purpose supercomputer for molecular dynamics simulations that achieves significant gains in performance, programmability, and capacity compared to its predecessor, Anton 1. The architecture of Anton 2 is tailored for fine-grained event-driven operation, which improves performance by increasing the overlap of computation with communication, and also allows a wider range of algorithms to run efficiently, enabling many new software-based optimizations. A 512-node Anton 2 machine, currently in operation, is up to ten times faster than Anton 1 with the same number of nodes, greatly expanding the reach of all-atom bio molecular simulations. Anton 2 is the first platform to achieve simulation rates of multiple microseconds of physical time per day for systems with millions of atoms. Demonstrating strong scaling, the machine simulates a standard 23,558-atom benchmark system at a rate of 85 μs/day - 180 times faster than any commodity hardware platform or general-purpose supercomputer.

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Published In

International Conference for High Performance Computing, Networking, Storage and Analysis, SC

DOI

EISSN

2167-4337

ISSN

2167-4329

Publication Date

January 16, 2014

Volume

2015-January

Issue

January

Start / End Page

41 / 53
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Shaw, D. E., Grossman, J. P., Bank, J. A., Batson, B., Butts, J. A., Chao, J. C., … Young, C. (2014). Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer. In International Conference for High Performance Computing, Networking, Storage and Analysis, SC (Vol. 2015-January, pp. 41–53). https://doi.org/10.1109/SC.2014.9
Shaw, D. E., J. P. Grossman, J. A. Bank, B. Batson, J. A. Butts, J. C. Chao, M. M. Deneroff, et al. “Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer.” In International Conference for High Performance Computing, Networking, Storage and Analysis, SC, 2015-January:41–53, 2014. https://doi.org/10.1109/SC.2014.9.
Shaw DE, Grossman JP, Bank JA, Batson B, Butts JA, Chao JC, et al. Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer. In: International Conference for High Performance Computing, Networking, Storage and Analysis, SC. 2014. p. 41–53.
Shaw, D. E., et al. “Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer.” International Conference for High Performance Computing, Networking, Storage and Analysis, SC, vol. 2015-January, no. January, 2014, pp. 41–53. Scopus, doi:10.1109/SC.2014.9.
Shaw DE, Grossman JP, Bank JA, Batson B, Butts JA, Chao JC, Deneroff MM, Dror RO, Even A, Fenton CH, Forte A, Gagliardo J, Gill G, Greskamp B, Ho CR, Ierardi DJ, Iserovich L, Kuskin JS, Larson RH, Layman T, Lee LS, Lerer AK, Li C, Killebrew D, Mackenzie KM, Mok SYH, Moraes MA, Mueller R, Nociolo LJ, Peticolas JL, Quan T, Ramot D, Salmon JK, Scarpazza DP, Ben Schafer U, Siddique N, Snyder CW, Spengler J, Tang PTP, Theobald M, Toma H, Towles B, Vitale B, Wang SC, Young C. Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer. International Conference for High Performance Computing, Networking, Storage and Analysis, SC. 2014. p. 41–53.

Published In

International Conference for High Performance Computing, Networking, Storage and Analysis, SC

DOI

EISSN

2167-4337

ISSN

2167-4329

Publication Date

January 16, 2014

Volume

2015-January

Issue

January

Start / End Page

41 / 53