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Title: Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland

Abstract

Understanding the fundamentals of genomic systems or the processes governing impactful weather patterns are examples of the types of simulation and modeling performed on the most advanced computing resources in America. High-performance computing and computational science together provide a necessary platform for the mission science conducted by the Biological and Environmental Research (BER) office at the U.S. Department of Energy (DOE). This report reviews BER’s computing needs and their importance for solving some of the toughest problems in BER’s portfolio. BER’s impact on science has been transformative. Mapping the human genome, including the U.S.-supported international Human Genome Project that DOE began in 1987, initiated the era of modern biotechnology and genomics-based systems biology. And since the 1950s, BER has been a core contributor to atmospheric, environmental, and climate science research, beginning with atmospheric circulation studies that were the forerunners of modern Earth system models (ESMs) and by pioneering the implementation of climate codes onto high-performance computers. See http://exascaleage.org/ber/ for more information.

Authors:
 [1];  [2];  [3];  [1];  [4];  [5];  [1];  [1];  [6];  [5];  [3];  [3];  [5];  [6];  [6];  [7];  [8];  [9];  [1];  [10] more »;  [11];  [11];  [12];  [1];  [13];  [1];  [14];  [1];  [6];  [8];  [8];  [8];  [8];  [6];  [15];  [16];  [1];  [1];  [17];  [18];  [19];  [11];  [20];  [1];  [6];  [21];  [22];  [23];  [1];  [24];  [22];  [9];  [25];  [8];  [16];  [26];  [16];  [6];  [1];  [22];  [27];  [3];  [6];  [28];  [7];  [1];  [1];  [1];  [22];  [29];  [8];  [1];  [30];  [23];  [31];  [3];  [9];  [6];  [1];  [8];  [23];  [11];  [8];  [11];  [32];  [11];  [2];  [33];  [34];  [1];  [24];  [8];  [3];  [35];  [1];  [1];  [36];  [22];  [37];  [19];  [36];  [1];  [6];  [38];  [1];  [6];  [1];  [1];  [6];  [6];  [22];  [39];  [8];  [8];  [22];  [24];  [1];  [1];  [16];  [8];  [40];  [8];  [6];  [6];  [1];  [41];  [42];  [8];  [16];  [8];  [1];  [22];  [9];  [30];  [1];  [43];  [8];  [2];  [6];  [2];  [1];  [11];  [30];  [23] « less
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Esnet
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  7. Georgia Inst. of Technology, Atlanta, GA (United States)
  8. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  9. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). EMSL
  10. National Center for Atmospheric Research, Boulder, CO (United States)
  11. Brookhaven National Lab. (BNL), Upton, NY (United States)
  12. New York Univ. (NYU), NY (United States)
  13. Yale Univ., New Haven, CT (United States)
  14. (Ben) [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  15. Univ. of Houston, Houston, TX (United States)
  16. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  17. National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)
  18. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  19. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  20. Stanford Univ., Stanford, CA (United States)
  21. Iowa State Univ., Ames, IA (United States)
  22. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  23. Stony Brook Univ., Stony Brook, NY (United States)
  24. Naval Postgraduate School, Monterey, CA (United States)
  25. Univ. of New Hampshire, Durham, NH (United States)
  26. USDA Forest Service, Washington, D.C. (United States)
  27. Univ. of Texas-Austin, Austin, TX (United States)
  28. Univ. of California, San Francisco, CA (United States)
  29. Washington State Univ., Pullman, WA (United States)
  30. Univ. of California, Berkeley, CA (United States)
  31. Univ. of California, Santa Cruz, CA (United States)
  32. Univ. of Connecticut, Storrs, CT (United States)
  33. Univ. of Toronto, Toronto, ON (Canada)
  34. Pennsylvania State Univ., University Park, PA (United States)
  35. Intel Corp., Santa Clara, CA (United States)
  36. Center for Molecular Medicine and Therapeutics, Vancouver, BC (Canada)
  37. Univ. of Cambridge (United Kingdom)
  38. Univ. of California, Santa Barbara, CA (United States)
  39. Colorado State Univ., Fort Collins, CO (United States)
  40. Intel, Mountain View, CA (United States)
  41. Boston Univ., Boston, MA (United States)
  42. Univ. of California, Davis, CA (United States)
  43. NCAR/Univ. of Colorado, Boulder, CO (United States)
Publication Date:
Research Org.:
US Department of Energy, Washington, DC (United States). Advanced Scientific Computing Research (SC-21)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (SC-21); USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
OSTI Identifier:
1375720
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES

Citation Formats

Arkin, Adam, Bader, David C., Coffey, Richard, Antypas, Katie, Bard, Deborah, Dart, Eli, Dosanjh, Sudip, Gerber, Richard, Hack, James, Monga, Inder, Papka, Michael E., Riley, Katherine, Rotman, Lauren, Straatsma, Tjerk, Wells, Jack, Aluru, Srinivas, Andersen, Amity, Aprá, Edoardo, Azad, Ariful, Bates, Susan, Blaby, Ian, Blaby-Haas, Crysten, Bonneau, Rich, Bowen, Ben, Bradford, Mark A., Brodie, Eoin, Brown, James, Buluc, Aydin, Bernholdt, David, Bylaska, Eric, Calvin, Kate, Cannon, Bill, Chen, Xingyuan, Cheng, Xiaolin, Cheung, Margaret, Chowdhary, Kenny, Colella, Phillip, Collins, Bill, Compo, Gil, Crowley, Mike, Debusschere, Bert, D’Imperio, Nicholas, Dror, Ron, Egan, Rob, Evans, Katherine, Friedberg, Iddo, Fyke, Jeremy, Gao, Zheng, Georganas, Evangelos, Giraldo, Frank, Gnanakaran, Gnana, Govind, Niri, Grandy, Stuart, Gustafson, Bill, Hammond, Glenn, Hargrove, William, Heroux, Michael, Hoffman, Forrest, Hofmeyr, Steven, Hunke, Elizabeth, Jackson, Charles, Jacob, Rob, Jacobson, Dan, Jacobson, Matt, Jain, Chirag, Johansen, Hans, Johnson, Jeff, Jones, Andy, Jones, Phil, Kalyanaraman, Ananth, Kang, Senghwa, King, Eric, Koanantakool, Penporn, Kollias, Pavlos, Kopera, Michal, Kotamarthi, Rao, Kowalski, Karol, Kumar, Jitendra, Kyrpides, Nikos, Leung, Ruby, Li, Xiaolin, Lin, Wuyin, Link, Robert, Liu, Yangang, Loew, Leslie, Luke, Edward, Ma, Hsi -Yen, Mahadevan, Radhakrishnan, Maranas, Costas, Martin, Daniel, Maslowski, Wieslaw, McCue, Lee Ann, McInnes, Lois Curfman, Mills, Richard, Molins Rafa, Sergi, Morozov, Dmitriy, Mostafavi, Sara, Moulton, David J., Mourao, Zenaida, Najm, Habib, Ng, Bernard, Ng, Esmond, Norman, Matt, Oh, Sang -Yun, Oliker, Leonid, Pan, Chongle, Pass, Rebecca, Pau, George S. H., Petridis, Loukas, Prakash, Giri, Price, Stephen, Randall, David, Renslow, Ryan, Riihimaki, Laura, Ringler, Todd, Roberts, Andrew, Rokhsar, Dan, Ruebel, Oliver, Salinger, Andrew, Scheibe, Tim, Schulz, Roland, Sivaraman, Chitra, Smith, Jeremy, Sreepathi, Sarat, Steefel, Carl, Talbot, Jenifer, Tantillo, D. J., Tartakovsky, Alex, Taylor, Mark, Taylor, Ronald, Trebotich, David, Urban, Nathan, Valiev, Marat, Wagner, Allon, Wainwright, Haruko, Wieder, Will, Wiley, Steven, Williams, Dean, Worley, Pat, Xie, Shaocheng, Yelick, Kathy, Yoo, Shinjae, Yosef, Niri, and Zhang, Minghua. Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland. United States: N. p., 2016. Web. doi:10.2172/1375720.
Arkin, Adam, Bader, David C., Coffey, Richard, Antypas, Katie, Bard, Deborah, Dart, Eli, Dosanjh, Sudip, Gerber, Richard, Hack, James, Monga, Inder, Papka, Michael E., Riley, Katherine, Rotman, Lauren, Straatsma, Tjerk, Wells, Jack, Aluru, Srinivas, Andersen, Amity, Aprá, Edoardo, Azad, Ariful, Bates, Susan, Blaby, Ian, Blaby-Haas, Crysten, Bonneau, Rich, Bowen, Ben, Bradford, Mark A., Brodie, Eoin, Brown, James, Buluc, Aydin, Bernholdt, David, Bylaska, Eric, Calvin, Kate, Cannon, Bill, Chen, Xingyuan, Cheng, Xiaolin, Cheung, Margaret, Chowdhary, Kenny, Colella, Phillip, Collins, Bill, Compo, Gil, Crowley, Mike, Debusschere, Bert, D’Imperio, Nicholas, Dror, Ron, Egan, Rob, Evans, Katherine, Friedberg, Iddo, Fyke, Jeremy, Gao, Zheng, Georganas, Evangelos, Giraldo, Frank, Gnanakaran, Gnana, Govind, Niri, Grandy, Stuart, Gustafson, Bill, Hammond, Glenn, Hargrove, William, Heroux, Michael, Hoffman, Forrest, Hofmeyr, Steven, Hunke, Elizabeth, Jackson, Charles, Jacob, Rob, Jacobson, Dan, Jacobson, Matt, Jain, Chirag, Johansen, Hans, Johnson, Jeff, Jones, Andy, Jones, Phil, Kalyanaraman, Ananth, Kang, Senghwa, King, Eric, Koanantakool, Penporn, Kollias, Pavlos, Kopera, Michal, Kotamarthi, Rao, Kowalski, Karol, Kumar, Jitendra, Kyrpides, Nikos, Leung, Ruby, Li, Xiaolin, Lin, Wuyin, Link, Robert, Liu, Yangang, Loew, Leslie, Luke, Edward, Ma, Hsi -Yen, Mahadevan, Radhakrishnan, Maranas, Costas, Martin, Daniel, Maslowski, Wieslaw, McCue, Lee Ann, McInnes, Lois Curfman, Mills, Richard, Molins Rafa, Sergi, Morozov, Dmitriy, Mostafavi, Sara, Moulton, David J., Mourao, Zenaida, Najm, Habib, Ng, Bernard, Ng, Esmond, Norman, Matt, Oh, Sang -Yun, Oliker, Leonid, Pan, Chongle, Pass, Rebecca, Pau, George S. H., Petridis, Loukas, Prakash, Giri, Price, Stephen, Randall, David, Renslow, Ryan, Riihimaki, Laura, Ringler, Todd, Roberts, Andrew, Rokhsar, Dan, Ruebel, Oliver, Salinger, Andrew, Scheibe, Tim, Schulz, Roland, Sivaraman, Chitra, Smith, Jeremy, Sreepathi, Sarat, Steefel, Carl, Talbot, Jenifer, Tantillo, D. J., Tartakovsky, Alex, Taylor, Mark, Taylor, Ronald, Trebotich, David, Urban, Nathan, Valiev, Marat, Wagner, Allon, Wainwright, Haruko, Wieder, Will, Wiley, Steven, Williams, Dean, Worley, Pat, Xie, Shaocheng, Yelick, Kathy, Yoo, Shinjae, Yosef, Niri, & Zhang, Minghua. Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland. United States. doi:10.2172/1375720.
Arkin, Adam, Bader, David C., Coffey, Richard, Antypas, Katie, Bard, Deborah, Dart, Eli, Dosanjh, Sudip, Gerber, Richard, Hack, James, Monga, Inder, Papka, Michael E., Riley, Katherine, Rotman, Lauren, Straatsma, Tjerk, Wells, Jack, Aluru, Srinivas, Andersen, Amity, Aprá, Edoardo, Azad, Ariful, Bates, Susan, Blaby, Ian, Blaby-Haas, Crysten, Bonneau, Rich, Bowen, Ben, Bradford, Mark A., Brodie, Eoin, Brown, James, Buluc, Aydin, Bernholdt, David, Bylaska, Eric, Calvin, Kate, Cannon, Bill, Chen, Xingyuan, Cheng, Xiaolin, Cheung, Margaret, Chowdhary, Kenny, Colella, Phillip, Collins, Bill, Compo, Gil, Crowley, Mike, Debusschere, Bert, D’Imperio, Nicholas, Dror, Ron, Egan, Rob, Evans, Katherine, Friedberg, Iddo, Fyke, Jeremy, Gao, Zheng, Georganas, Evangelos, Giraldo, Frank, Gnanakaran, Gnana, Govind, Niri, Grandy, Stuart, Gustafson, Bill, Hammond, Glenn, Hargrove, William, Heroux, Michael, Hoffman, Forrest, Hofmeyr, Steven, Hunke, Elizabeth, Jackson, Charles, Jacob, Rob, Jacobson, Dan, Jacobson, Matt, Jain, Chirag, Johansen, Hans, Johnson, Jeff, Jones, Andy, Jones, Phil, Kalyanaraman, Ananth, Kang, Senghwa, King, Eric, Koanantakool, Penporn, Kollias, Pavlos, Kopera, Michal, Kotamarthi, Rao, Kowalski, Karol, Kumar, Jitendra, Kyrpides, Nikos, Leung, Ruby, Li, Xiaolin, Lin, Wuyin, Link, Robert, Liu, Yangang, Loew, Leslie, Luke, Edward, Ma, Hsi -Yen, Mahadevan, Radhakrishnan, Maranas, Costas, Martin, Daniel, Maslowski, Wieslaw, McCue, Lee Ann, McInnes, Lois Curfman, Mills, Richard, Molins Rafa, Sergi, Morozov, Dmitriy, Mostafavi, Sara, Moulton, David J., Mourao, Zenaida, Najm, Habib, Ng, Bernard, Ng, Esmond, Norman, Matt, Oh, Sang -Yun, Oliker, Leonid, Pan, Chongle, Pass, Rebecca, Pau, George S. H., Petridis, Loukas, Prakash, Giri, Price, Stephen, Randall, David, Renslow, Ryan, Riihimaki, Laura, Ringler, Todd, Roberts, Andrew, Rokhsar, Dan, Ruebel, Oliver, Salinger, Andrew, Scheibe, Tim, Schulz, Roland, Sivaraman, Chitra, Smith, Jeremy, Sreepathi, Sarat, Steefel, Carl, Talbot, Jenifer, Tantillo, D. J., Tartakovsky, Alex, Taylor, Mark, Taylor, Ronald, Trebotich, David, Urban, Nathan, Valiev, Marat, Wagner, Allon, Wainwright, Haruko, Wieder, Will, Wiley, Steven, Williams, Dean, Worley, Pat, Xie, Shaocheng, Yelick, Kathy, Yoo, Shinjae, Yosef, Niri, and Zhang, Minghua. Thu . "Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland". United States. doi:10.2172/1375720. https://www.osti.gov/servlets/purl/1375720.
@article{osti_1375720,
title = {Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland},
author = {Arkin, Adam and Bader, David C. and Coffey, Richard and Antypas, Katie and Bard, Deborah and Dart, Eli and Dosanjh, Sudip and Gerber, Richard and Hack, James and Monga, Inder and Papka, Michael E. and Riley, Katherine and Rotman, Lauren and Straatsma, Tjerk and Wells, Jack and Aluru, Srinivas and Andersen, Amity and Aprá, Edoardo and Azad, Ariful and Bates, Susan and Blaby, Ian and Blaby-Haas, Crysten and Bonneau, Rich and Bowen, Ben and Bradford, Mark A. and Brodie, Eoin and Brown, James and Buluc, Aydin and Bernholdt, David and Bylaska, Eric and Calvin, Kate and Cannon, Bill and Chen, Xingyuan and Cheng, Xiaolin and Cheung, Margaret and Chowdhary, Kenny and Colella, Phillip and Collins, Bill and Compo, Gil and Crowley, Mike and Debusschere, Bert and D’Imperio, Nicholas and Dror, Ron and Egan, Rob and Evans, Katherine and Friedberg, Iddo and Fyke, Jeremy and Gao, Zheng and Georganas, Evangelos and Giraldo, Frank and Gnanakaran, Gnana and Govind, Niri and Grandy, Stuart and Gustafson, Bill and Hammond, Glenn and Hargrove, William and Heroux, Michael and Hoffman, Forrest and Hofmeyr, Steven and Hunke, Elizabeth and Jackson, Charles and Jacob, Rob and Jacobson, Dan and Jacobson, Matt and Jain, Chirag and Johansen, Hans and Johnson, Jeff and Jones, Andy and Jones, Phil and Kalyanaraman, Ananth and Kang, Senghwa and King, Eric and Koanantakool, Penporn and Kollias, Pavlos and Kopera, Michal and Kotamarthi, Rao and Kowalski, Karol and Kumar, Jitendra and Kyrpides, Nikos and Leung, Ruby and Li, Xiaolin and Lin, Wuyin and Link, Robert and Liu, Yangang and Loew, Leslie and Luke, Edward and Ma, Hsi -Yen and Mahadevan, Radhakrishnan and Maranas, Costas and Martin, Daniel and Maslowski, Wieslaw and McCue, Lee Ann and McInnes, Lois Curfman and Mills, Richard and Molins Rafa, Sergi and Morozov, Dmitriy and Mostafavi, Sara and Moulton, David J. and Mourao, Zenaida and Najm, Habib and Ng, Bernard and Ng, Esmond and Norman, Matt and Oh, Sang -Yun and Oliker, Leonid and Pan, Chongle and Pass, Rebecca and Pau, George S. H. and Petridis, Loukas and Prakash, Giri and Price, Stephen and Randall, David and Renslow, Ryan and Riihimaki, Laura and Ringler, Todd and Roberts, Andrew and Rokhsar, Dan and Ruebel, Oliver and Salinger, Andrew and Scheibe, Tim and Schulz, Roland and Sivaraman, Chitra and Smith, Jeremy and Sreepathi, Sarat and Steefel, Carl and Talbot, Jenifer and Tantillo, D. J. and Tartakovsky, Alex and Taylor, Mark and Taylor, Ronald and Trebotich, David and Urban, Nathan and Valiev, Marat and Wagner, Allon and Wainwright, Haruko and Wieder, Will and Wiley, Steven and Williams, Dean and Worley, Pat and Xie, Shaocheng and Yelick, Kathy and Yoo, Shinjae and Yosef, Niri and Zhang, Minghua},
abstractNote = {Understanding the fundamentals of genomic systems or the processes governing impactful weather patterns are examples of the types of simulation and modeling performed on the most advanced computing resources in America. High-performance computing and computational science together provide a necessary platform for the mission science conducted by the Biological and Environmental Research (BER) office at the U.S. Department of Energy (DOE). This report reviews BER’s computing needs and their importance for solving some of the toughest problems in BER’s portfolio. BER’s impact on science has been transformative. Mapping the human genome, including the U.S.-supported international Human Genome Project that DOE began in 1987, initiated the era of modern biotechnology and genomics-based systems biology. And since the 1950s, BER has been a core contributor to atmospheric, environmental, and climate science research, beginning with atmospheric circulation studies that were the forerunners of modern Earth system models (ESMs) and by pioneering the implementation of climate codes onto high-performance computers. See http://exascaleage.org/ber/ for more information.},
doi = {10.2172/1375720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Mar 31 00:00:00 EDT 2016},
month = {Thu Mar 31 00:00:00 EDT 2016}
}

Technical Report:

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  • The widespread use of computing in the American economy would not be possible without a thoughtful, exploratory research and development (R&D) community pushing the performance edge of operating systems, computer languages, and software libraries. These are the tools and building blocks — the hammers, chisels, bricks, and mortar — of the smartphone, the cloud, and the computing services on which we rely. Engineers and scientists need ever-more specialized computing tools to discover new material properties for manufacturing, make energy generation safer and more efficient, and provide insight into the fundamentals of the universe, for example. The research division of themore » U.S. Department of Energy’s (DOE’s) Office of Advanced Scientific Computing and Research (ASCR Research) ensures that these tools and building blocks are being developed and honed to meet the extreme needs of modern science. See also http://exascaleage.org/ascr/ for additional information.« less
  • Computers have revolutionized every aspect of our lives. Yet in science, the most tantalizing applications of computing lie just beyond our reach. The current quest to build an exascale computer with one thousand times the capability of today’s fastest machines (and more than a million times that of a laptop) will take researchers over the next horizon. The field of materials, chemical reactions, and compounds is inherently complex. Imagine millions of new materials with new functionalities waiting to be discovered — while researchers also seek to extend those materials that are known to a dizzying number of new forms. Wemore » could translate massive amounts of data from high precision experiments into new understanding through data mining and analysis. We could have at our disposal the ability to predict the properties of these materials, to follow their transformations during reactions on an atom-by-atom basis, and to discover completely new chemical pathways or physical states of matter. Extending these predictions from the nanoscale to the mesoscale, from the ultrafast world of reactions to long-time simulations to predict the lifetime performance of materials, and to the discovery of new materials and processes will have a profound impact on energy technology. In addition, discovery of new materials is vital to move computing beyond Moore’s law. To realize this vision, more than hardware is needed. New algorithms to take advantage of the increase in computing power, new programming paradigms, and new ways of mining massive data sets are needed as well. This report summarizes the opportunities and the requisite computing ecosystem needed to realize the potential before us. In addition to pursuing new and more complete physical models and theoretical frameworks, this review found that the following broadly grouped areas relevant to the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR) would directly affect the Basic Energy Sciences (BES) mission need. Simulation, visualization, and data analysis are crucial for advances in energy science and technology. Revolutionary mathematical, software, and algorithm developments are required in all areas of BES science to take advantage of exascale computing architectures and to meet data analysis, management, and workflow needs. In partnership with ASCR, BES has an emerging and pressing need to develop new and disruptive capabilities in data science. More capable and larger high-performance computing (HPC) and data ecosystems are required to support priority research in BES. Continued success in BES research requires developing the next-generation workforce through education and training and by providing sustained career opportunities.« less
  • Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with fullmore » tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.« less
  • The additional computing power offered by the planned exascale facilities could be transformational across the spectrum of plasma and fusion research — provided that the new architectures can be efficiently applied to our problem space. The collaboration that will be required to succeed should be viewed as an opportunity to identify and exploit cross-disciplinary synergies. To assess the opportunities and requirements as part of the development of an overall strategy for computing in the exascale era, the Exascale Requirements Review meeting of the Fusion Energy Sciences (FES) community was convened January 27–29, 2016, with participation from a broad range ofmore » fusion and plasma scientists, specialists in applied mathematics and computer science, and representatives from the U.S. Department of Energy (DOE) and its major computing facilities. This report is a summary of that meeting and the preparatory activities for it and includes a wealth of detail to support the findings. Technical opportunities, requirements, and challenges are detailed in this report (and in the recent report on the Workshop on Integrated Simulation). Science applications are described, along with mathematical and computational enabling technologies. Also see http://exascaleage.org/fes/ for more information.« less
  • The U.S. Department of Energy (DOE) Office of Science (SC) Offices of High Energy Physics (HEP) and Advanced Scientific Computing Research (ASCR) convened a programmatic Exascale Requirements Review on June 10–12, 2015, in Bethesda, Maryland. This report summarizes the findings, results, and recommendations derived from that meeting. The high-level findings and observations are as follows. Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude — and in some cases greatermore » — than that available currently. The growth rate of data produced by simulations is overwhelming the current ability of both facilities and researchers to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. Data rates and volumes from experimental facilities are also straining the current HEP infrastructure in its ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. A close integration of high-performance computing (HPC) simulation and data analysis will greatly aid in interpreting the results of HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. Long-range planning between HEP and ASCR will be required to meet HEP’s research needs. To best use ASCR HPC resources, the experimental HEP program needs (1) an established, long-term plan for access to ASCR computational and data resources, (2) the ability to map workflows to HPC resources, (3) the ability for ASCR facilities to accommodate workflows run by collaborations potentially comprising thousands of individual members, (4) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, (5) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.« less