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DaDianNao: A Machine-Learning Supercomputer by Yunji Chen, Tao Luo, Shaoli Liu, Shijin Zhang, Liqiang He, Jia Wang, Ling Li, Tianshi Chen, Zhiwei Xu, Ninghui Sun, Temam, Olivier

“…Many companies are deploying services, either for consumers or industry, which are largely based on machine-learning algorithms for sophisticated processing of…”
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Anton 3: Twenty Microseconds of Molecular Dynamics Simulation Before Lunch by Shaw, David E., Adams, Peter J., Azaria, Asaph, Bank, Joseph A., Batson, Brannon, Bell, Alistair, Bergdorf, Michael, Bhatt, Jhanvi, Butts, J. Adam, Correia, Timothy, Dirks, Robert M., Dror, Ron O., Eastwood, Michael P., Edwards, Bruce, Even, Amos, Feldmann, Peter, Fenn, Michael, Fenton, Christopher H., Forte, Anthony, Gagliardo, Joseph, Gill, Gennette, Gorlatova, Maria, Greskamp, Brian, Grossman, J.P., Gullingsrud, Justin, Harper, Anissa, Hasenplaugh, William, Heily, Mark, Heshmat, Benjamin Colin, Hunt, Jeremy, Ierardi, Douglas J., Iserovich, Lev, Jackson, Bryan L., Johnson, Nick P., Kirk, Mollie M., Klepeis, John L., Kuskin, Jeffrey S., Mackenzie, Kenneth M., Mader, Roy J., McGowen, Richard, McLaughlin, Adam, Moraes, Mark A., Nasrb, Mohamed H., Nociolo, Lawrence J., O'Donnell, Lief, Parker, Andrew, Peticolas, Jon L., Pocina, Goran, Predescu, Cristian, Quan, Terry, Salmon, John K., Schwink, Carl, Shim, Keun Sup, Siddique, Naseer, Spengler, Jochen, Szalay, Tamas, Tabladillo, Raymond, Tartler, Reinhard, Taube, Andrew G., Theobald, Michael, Towles, Brian, Vick, William, Wang, Stanley C., Wazlowski, Michael, Weingarten, Madeleine J., Williams, John M., Yuh, Kevin A.

“…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,…”
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Anton 2: raising the bar for performance and programmability in a special-purpose molecular dynamics supercomputer by Shaw, David E., Grossman, J. P., Bank, Joseph A., Batson, Brannon, Butts, J. Adam, Chao, Jack C., Deneroff, Martin M., Dror, Ron O., Even, Amos, Fenton, Christopher H., Forte, Anthony, Gagliardo, Joseph, Gill, Gennette, Greskamp, Brian, Ho, C. Richard, Ierardi, Douglas J., Iserovich, Lev, Kuskin, Jeffrey S., Larson, Richard H., Layman, Timothy, Lee, Li-Siang, Lerer, Adam K., Li, Chester, Killebrew, Daniel, Mackenzie, Kenneth M., Mok, Shark Yeuk-Hai, Moraes, Mark A., Mueller, Rolf, Nociolo, Lawrence J., Peticolas, Jon L., Quan, Terry, Ramot, Daniel, Salmon, John K., Scarpazza, Daniele P., Ben Schafer, U., Siddique, Naseer, Snyder, Christopher W., Spengler, Jochen, Tang, Ping Tak Peter, Theobald, Michael, Toma, Horia, Towles, Brian, Vitale, Benjamin, Wang, Stanley C., Young, Cliff

“… 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…”
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Towards Sustainable Post-Exascale Leadership Computing by Shin, Woong, White, James B., Elwasif, Wael, Da Silva, Rafael Ferreira, Zimmer, Christopher, Messer, Bronson, Budiardja, Reuben, Georgiadou, Antigoni, Vergara, Veronica Melesse, Lange, Jack, Maiterth, Matthias, Osborne, Tim, Huk, Leah, Holmen, John, Hagerty, Nick, Karimi, Ahmad Maroof, Naughton, Thomas, Adamson, Ryan, Prout, Ryan, Wang, Feiyi, Atchley, Scott, Thach, Kevin G., Beck, Thomas, Oral, Sarp

“…As computing systems approach the limits of traditional silicon technology, the diminishing returns in performance per watt present a significant barrier to sustaining growth in HPC…”
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A Performance-Portable Kilometer-Scale Global Ocean Model on ORISE and New Sunway Heterogeneous Supercomputers by Wei, Junlin, Han, Xiang, Yu, Jiangfeng, Jiang, Jinrong, Liu, Hailong, Lin, Pengfei, Yu, Maoxue, Xu, Kai, Zhao, Lian, Wang, Pengfei, Zheng, Weipeng, Xie, Jingwei, Zhou, Yanzhi, Zhang, Tao, Zhang, Feng, Zhang, Yehong, Yu, Yue, Wang, Yuzhu, Bai, Yidi, Li, Chen, Yu, Zipeng, Deng, Haoyu, Li, Yaxin, Chi, Xuebin

“… The breakthroughs include: (1) we enhance cuttingedge Kokkos with the Sunway architecture, enabling LICOMK+…”
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Application-Driven Exascale: The JUPITER Benchmark Suite by Herten, Andreas, Achilles, Sebastian, Alvarez, Damian, Badwaik, Jayesh, Behle, Eric, Bode, Mathis, Breuer, Thomas, Caviedes-Voullieme, Daniel, Cherti, Mehdi, Dabah, Adel, Sayed, Salem El, Frings, Wolfgang, Gonzalez-Nicolas, Ana, Gregory, Eric B., Mood, Kaveh Haghighi, Hater, Thorsten, Jitsev, Jenia, John, Chelsea Maria, Meinke, Jan H., Meyer, Catrin I., Mezentsev, Pavel, Mirus, Jan-Oliver, Nassyr, Stepan, Penke, Carolin, Rommer, Manoel, Sinha, Ujjwal, Vieth, Benedikt von St, Stein, Olaf, Suarez, Estela, Willsch, Dennis, Zhukov, Ilya

“…Benchmarks are essential in the design of modern HPC installations, as they define key aspects of system components…”
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Experiences Readying Applications for Exascale by Bauman, Paul T., Budiardja, Reuben D., Bykov, Dmytro, Chalmers, Noel, Chen, Jacqueline, Curtis, Nicholas, Day, Marc, Eisenbach, Markus, Esclapez, Lucas, Fanfarillo, Alessandro, Freitag, William, Frontiere, Nicholas, Georgiadou, Antigoni, Glenski, Joseph, Gottiparthi, Kalyana, Henry de Frahan, Marc T., Jansen, Gustav R., Joubert, Wayne, Lietz, Justin G., Kurzak, Jakub, Malaya, Nicholas, Messer, Bronson, McDougall, Damon, Mullowney, Paul, Nichols, Stephen, Norman, Matthew, Papatheodore, Thomas, Rood, Jon, Roth, Philip C., Sreepathi, Sarat, White, James, Wolfe, Noah

“… This work details observations from the last four years in preparing scientific applications to run on the Oak Ridge Leadership Computing Facility's (OLCF) Frontier system…”
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Pushing the Limit of Quantum Mechanical Simulation to the Raman Spectra of a Biological System with 100 Million Atoms by Shang, Honghui, Liu, Ying, Wu, Zhikun, Chen, Zhenchuan, Liu, Jinfeng, Shao, Meiyue, Li, Yingzhou, Kan, Bowen, Cui, Huimin, Feng, Xiaobing, Zhang, Yunquan, Truhlar, Donald G., An, Hong, He, Xiao, Yang, Jinlong

“… In this study, we developed efficient algorithms and optimized implementations on heterogeneous computing architectures to enable fast and highly scalable ab initio simulations of Raman spectra…”
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Performance Analysis of Scientific Applications on an NVIDIA Grace System by Ruhela, Amit, Cazes, John, McCalpin, John, Del-Castillo-Negrete, Carlos, Li, Junjie, Liu, Hang, Chen, Hanning, Lu, Chun-Yaung, Milfeld, Kent, Zhang, Wenyang, Wang, Ian, Koesterke, Lars, DeSantis, John, Lewis, Nic, Hempel, Sean, Stanzione, Dan

“…The NSF funded Frontera system has supported many important scientific applications over the last five years, not only in HPC but also in the area of Big Data and Machine Learning…”
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Security Testbed for Preempting Attacks against Supercomputing Infrastructure by Cao, Phuong, Kalbarczyk, Zbigniew, Iyer, Ravishankar K.

“…Preempting attacks targeting supercomputing systems before damage remains the top security priority…”
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Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers by Wu, Zhikun, Wu, Yangjun, Liu, Ying, Shang, Honghui, Gao, Yingxiang, Zhang, Zhongcheng, Zhang, Yuyang, Long, Yingchi, Feng, Xiaobing, Cui, Huimin

“… In this work, we propose a portable and scalable OpenCL implementation for quantum perturbation theory, which can be generalized across various high-performance computing (HPC) systems…”
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Realizing Joint Extreme-Scale Simulations on Multiple Supercomputers-Two Superfacility Case Studies by Pollinger, Theresa, Craen, Alexander Van, Offenhauser, Philipp, Pfluger, Dirk

“…High-dimensional grid-based simulations serve as both a tool and a challenge in researching various domains…”
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Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per Day by Li, Jianxiong, Li, Boyang, Guo, Zhuoqiang, Li, Mingzhen, Li, Enji, Liu, Lijun, Yuan, Guojun, Wang, Zhan, Tan, Guangming, Jia, Weile

“…Physical phenomena such as chemical reactions, bond breaking, and phase transition require molecular dynamics (MD) simulation with ab initio accuracy ranging…”
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LaZy Superscalar by Asilioglu, Gorkem, Jin, Zhaoxiang, Koksal, Murat, Javeri, Omkar, Onder, Soner

“…LaZy Superscalar is a processor architecture which delays the execution of fetched instructions until their results are needed by other instructions…”
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Scaling the power wall: a path to exascale by Villa, Oreste, Johnson, Daniel R., O'Connor, Mike, Bolotin, Evgeny, Nellans, David, Luitjens, Justin, Sakharnykh, Nikolai, Wang, Peng, Micikevicius, Paulius, Scudiero, Anthony, Keckler, Stephen W., Dally, William J.

“…Modern scientific discovery is driven by an insatiable demand for computing performance…”
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A 400 trillion-grid Vlasov Simulation on Fugaku Supercomputer: large-scale Distribution of Cosmic Relic Neutrinos in a Six-dimensional Phase Space by Yoshikawa, Kohji, Tanaka, Satoshi, Yoshida, Naoki

“… Our largest simulation combines the Vlasov simulation on 400 trillion grids and 330 billion-body calculations in a self-consistent manner, and reproduces accurately the nonlinear dynamics of neutrinos in the Universe…”
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Enabling Real World Scale Structural Superlubricity All-Atom Simulation on the Next-Generation Sunway Supercomputer by Duan, Xiaohui, Wang, Jin, Gao, Ping, Ma, Ming, Gan, Lin, Liu, Xin, Fu, Haohuan, Xue, Wei, Chen, Dexun, Yang, Guangwen, Liu, Weiguo

“… But the spatial scale of MD simulations is usually magnitudes smaller than experiment systems. In this paper, we present our work, redesigning the widely used inter-layer potential in structural superlubricity…”
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Scalable algorithms for molecular dynamics simulations on commodity clusters by Bowers, Kevin J., Chow, Edmond, Xu, Huafeng, Dror, Ron O., Eastwood, Michael P., Gregersen, Brent A., Klepeis, John L., Kolossvary, Istvan, Moraes, Mark A., Sacerdoti, Federico D., Salmon, John K., Shan, Yibing, Shaw, David E.

“…Although molecular dynamics (MD) simulations of biomolecular systems often run for days to months, many events of great scientific interest and pharmaceutical relevance occur on long time scales that remain beyond reach…”
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Energy-effective issue logic by Folegnani, Daniele, González, Antonio

“…The issue logic of a dynamically-scheduled superscalar processor is a complex mechanism devoted to start the execution of multiple instructions every cycle…”
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A Digital Twin Framework for Liquid-cooled Supercomputers as Demonstrated at Exascale by Brewer, Wesley, Maiterth, Matthias, Kumar, Vineet, Wojda, Rafal, Bouknight, Sedrick, Hines, Jesse, Shin, Woong, Greenwood, Scott, Grant, David, Williams, Wesley, Wang, Feiyi

“…) an augmented reality model of the supercomputer and central energy plant. The framework enables the study of "what-if" scenarios, system optimizations, and virtual prototyping of future systems…”
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