Anton 3: Twenty Microseconds of Molecular Dynamics Simulation Before Lunch
Anton 3 is the newest member in a family of supercomputers specially designed for atomic-level simulation of molecules relevant to biology (e.g., DNA, proteins, and drug molecules). Anton 3 achieves order-of-magnitude improvements in time-to-solution over its predecessor, Anton 2 (the current state...
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| Vydáno v: | SC21: International Conference for High Performance Computing, Networking, Storage and Analysis s. 1 - 11 |
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| Médium: | Konferenční příspěvek |
| Jazyk: | angličtina |
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ACM
14.11.2021
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| ISSN: | 2167-4337 |
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| Abstract | Anton 3 is the newest member in a family of supercomputers specially designed for atomic-level simulation of molecules relevant to biology (e.g., DNA, proteins, and drug molecules). Anton 3 achieves order-of-magnitude improvements in time-to-solution over its predecessor, Anton 2 (the current state of the art), and is over 100-fold faster than any other currently available supercomputer, thereby enabling broad new avenues of research on critical questions in biology and drug discovery. This speedup means that a 512-node Anton 3 simulates a million atoms at over 100 microseconds per day. Furthermore, Anton 3 attains this performance while consuming an order of magnitude less energy per simulated microsecond than any other machine. Like its predecessors, Anton 3 was designed from the ground up around a new custom chip to best exploit the capabilities offered by new technologies. We present here the main architectural and algorithmic developments that were necessary to achieve such significant advances. |
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| AbstractList | Anton 3 is the newest member in a family of supercomputers specially designed for atomic-level simulation of molecules relevant to biology (e.g., DNA, proteins, and drug molecules). Anton 3 achieves order-of-magnitude improvements in time-to-solution over its predecessor, Anton 2 (the current state of the art), and is over 100-fold faster than any other currently available supercomputer, thereby enabling broad new avenues of research on critical questions in biology and drug discovery. This speedup means that a 512-node Anton 3 simulates a million atoms at over 100 microseconds per day. Furthermore, Anton 3 attains this performance while consuming an order of magnitude less energy per simulated microsecond than any other machine. Like its predecessors, Anton 3 was designed from the ground up around a new custom chip to best exploit the capabilities offered by new technologies. We present here the main architectural and algorithmic developments that were necessary to achieve such significant advances. |
| Author | Nasrb, Mohamed H. Peticolas, Jon L. Gill, Gennette Dirks, Robert M. Dror, Ron O. Adams, Peter J. Parker, Andrew Gagliardo, Joseph McLaughlin, Adam Salmon, John K. Bergdorf, Michael Correia, Timothy Ierardi, Douglas J. Butts, J. Adam Williams, John M. Kirk, Mollie M. O'Donnell, Lief Johnson, Nick P. Forte, Anthony Gullingsrud, Justin Iserovich, Lev Quan, Terry Predescu, Cristian Tabladillo, Raymond Bell, Alistair Gorlatova, Maria Mackenzie, Kenneth M. Moraes, Mark A. McGowen, Richard Fenn, Michael Theobald, Michael Wang, Stanley C. Towles, Brian Heily, Mark Shim, Keun Sup Hunt, Jeremy Wazlowski, Michael Shaw, David E. Tartler, Reinhard Yuh, Kevin A. Hasenplaugh, William Weingarten, Madeleine J. Szalay, Tamas Even, Amos Schwink, Carl Klepeis, John L. Spengler, Jochen Azaria, Asaph Grossman, J.P. Edwards, Bruce Bhatt, Jhanvi Bank, Joseph A. Feldmann, Peter Mader, Roy J. Pocina, Goran Siddique, Naseer Vick, William Batson, Brannon Fenton, Christopher H. Jackson, Bryan L. Heshmat, Benjamin Colin Taube, Andrew G. Greskamp, Brian Harper, Anissa Eastwood, |
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| SubjectTerms | Analytical models Biological system modeling Computational modeling Drugs Heuristic algorithms High performance computing Proteins |
| Title | Anton 3: Twenty Microseconds of Molecular Dynamics Simulation Before Lunch |
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