D. E. Shaw, J. P. Grossman, Joseph A. Bank, Brannon Batson, J. A. Butts, Jack C. Chao, Martin M. Deneroff, R. Dror, Amos Even, Christopher H. Fenton, Anthony Forte, Joseph Gagliardo, Gennette Gill, Brian Greskamp, R. Ho, D. Ierardi, Lev Iserovich, J. Kuskin, Richard H. Larson, T. Layman, L. Lee, Adam K. Lerer, Chester Li, Daniel Killebrew, Kenneth M. Mackenzie, Shark Yeuk-Hai Mok, Mark A. Moraes, Rolf Mueller, Lawrence J. Nociolo, Jon L. Peticolas, Terry Quan, D. Ramot, J. Salmon, D. Scarpazza, U. Schafer, Naseer Siddique, Christopher W. Snyder, Jochen Spengler, P. T. P. Tang, Michael Theobald, Horia Toma, Brian Towles, B. Vitale, Stanley C. Wang, C. Young
{"title":"Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer","authors":"D. E. Shaw, J. P. Grossman, Joseph A. Bank, Brannon Batson, J. A. Butts, Jack C. Chao, Martin M. Deneroff, R. Dror, Amos Even, Christopher H. Fenton, Anthony Forte, Joseph Gagliardo, Gennette Gill, Brian Greskamp, R. Ho, D. Ierardi, Lev Iserovich, J. Kuskin, Richard H. Larson, T. Layman, L. Lee, Adam K. Lerer, Chester Li, Daniel Killebrew, Kenneth M. Mackenzie, Shark Yeuk-Hai Mok, Mark A. Moraes, Rolf Mueller, Lawrence J. Nociolo, Jon L. Peticolas, Terry Quan, D. Ramot, J. Salmon, D. Scarpazza, U. Schafer, Naseer Siddique, Christopher W. Snyder, Jochen Spengler, P. T. P. Tang, Michael Theobald, Horia Toma, Brian Towles, B. Vitale, Stanley C. Wang, C. Young","doi":"10.1109/SC.2014.9","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":275261,"journal":{"name":"SC14: International Conference for High Performance Computing, Networking, Storage and Analysis","volume":"9 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2014-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"455","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"SC14: International Conference for High Performance Computing, Networking, Storage and Analysis","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/SC.2014.9","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 455
Abstract
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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