High Performance Computing

Serving Research Productivity, Innovation and Excellence Compute Canada is a national organization that coordinates and promotes the use of High Performance Computing (HPC) in Canadian research. In collaboration with Canada’s seven university-based HPC consortia, it works to ensure that Canadian researchers have the computational facilities and expert services necessary to advance scientific knowledge and innovation. It promotes HPC among the research community and its stakeholders as well as among the public in general and advises Canadian research funding agencies, at both the federal and provincial levels, on HPC issues. Quick Facts Number of researchers using HPC resources – approximately 4000 Number of disciplines supported – 22 major categories – from aerospace to medical imaging to weather forecasting and climate studies

HPC (High Performance Computing) – Sometimes used as a synonym for "supercom- puting", HPC provides high speed computing via multiple processors, most often hundreds but sometimes thousands, harnessed together via fast communications pipelines and cluster software that work together as if they were one big machine. HPC facilities perform at least 100 times faster than today's desktop computers.

110 O’Connor St. 4th floor Ottawa, Ontario K1P 5M9 Phone: 613-594-9542 Fax: 613-594-3947 Email: [email protected] ii If Google is a search engine for all that is known – then HPC is a search engine for all that is unknown.

Focusing on Priorities: The CFI led a collaborative initiative … to create a national HPC network across Canada. … This trans-continental HPC system [Compute Canada] will link virtually all of Canada’s research-intensive institutions, and will do for Canada’s knowledge-intensive economy of the 21st century what the building of a trans-continental railway did for the natural resource and industrial economies of centuries past. (CFI, InnovatioNation, Fall/Winter 08)

“Grand Challenge” means a fundamental problem in science or engineering [climate change, pandemics], with broad economic and scientific impact, whose solution will require the application of high-performance computing resources and multidisciplinary teams of researchers. (U.S. High Performance Computing Act)

“Supercomputing is part of the corporate arsenal to beat rivals by staying one step ahead of the innovation curve”. (From “The New Secret Weapon”, August 2008, the Council on Competitiveness)

1 Message from the Chair of the Board and the Executive Director

Compute Canada is the culmination of almost a decade of effort by the many dedicated members of C3.ca. We owe them a debt of gratitude and offer them our sincere thanks for making Compute Canada a reality.

The past year has been a very busy one as Compute Canada was formally launched, and an Executive Director and an independent Chair of the Board of Directors are now in place. In addition to the well-established National Initiatives Committee, chaired by David Sénéchal (Université de Sherbrooke), and the National Administration Committee, chaired by Judith Chadwick (University of Toronto), we have established an Executive Committee of the Board, the National Resource Allocation Committee (Gren Patey, University of British Columbia, Chair) and the Community Planning and Advocacy Council. The Technical Steering Committee, with support from technical advisors from the regional consortia, has developed a Compute Canada on-line database that is now operational. HPC equipment, purchased with funding from CFI and the provincial governments, with additional support from equipment vendors, is being installed and will soon be available for researchers across the country.

Competition is as much a part of the research environment as any other part of our economy and that competition occurs on a global scale. HPC is a fundamental and strategic resource for competitive research. We are experiencing a significant growth in demand for HPC resources. This demand is fueled by three main factors: (1) researchers are continuing to refine and optimize their projects to take advantage of the resources and stay competitive in their field; (2) there has been a constant growth in the number of projects using resources at all consortia; and (3) efforts across all consortia to create HPC-aware research personnel have increased the population of researchers in both traditional and non-traditional disciplines requiring access to this equipment. Previous funding from CFI has also been one of the factors in fueling this growth in Canada. The international HPC user community is expanding at similar rates and Canadian researchers are very much a part of this international trend.

It is our goal, for the present and the future, to provide the access, storage and support to allow Canadian researchers to work in a highly productive and competitive research environment, to focus on accelerating their research, to ensure they remain among world leaders in their field, and to bring the results of innovation to fruition. To achieve this goal, we must continue to ensure that the computing power and the technical sophistication necessary for Canada’s researchers are available when they are needed. We will also be exploring ways to bring the benefits of HPC to an even broader range of research disciplines.

It is our synergy with the regional consortia and the research community that will help position Canada to meet the grand challenges in the economy, the environment and climate change, and medicine.

We want to take this opportunity to thank the Scientific Directors and Principal Investigators and their staff at the seven regional consortia for their commitment of time and resources to Compute Canada and to recognize the essential support they provide to the research community.

Andrew Woodsworth Susan Baldwin Chair, Board of Directors Executive Director

2 Compute Canada Regional Consortia

ACEnet (Atlantic provinces, 11 partner institutions) – www.ace-net.ca “One thing that has impressed me most about bringing ACEnet to Atlantic Canada is the diversity of research which uses the equipment. Astrophysicists are modeling everything from the formation of the first galaxies to the atmospheres of stars, while computational chemists work on drug research. Materials physicists study compressed matter, while oceanographers and geologists compute models of the earth. In all these and other disciplines ACEnet is allowing researchers to solve problems with increased realism and resolution. The demand for the resources has been amazing.” Robert Deupree, Principal Researcher, ACEnet

RQCHP (Québec, 5 partner institutions) – rqchp.ca “One of the most satisfying outcomes of the growing availability of HPC resources at RQCHP is that researchers now take new avenues, do research in an entirely different way and obtain results that would have seemed far out of reach only a few years ago.” David Sénéchal, Directeur, Réseau québécois de calcul de haute performance

CLUMEQ (Québec, 4 partner institutions) – www.clumeq.mcgill.ca “Canada’s academic researchers rely on the HPC equipment and support provided by Compute Canada and the regional consortia as essential tools for their work. Our HPC resources enable them to develop international collaborative part- nerships and participate in the “grand challenges” that will advance knowledge and bring benefits to all citizens and work with the private sector to bring the results of innovation to the marketplace.” Dr. Denis Thérien, Vice-Principal, Research and International Relations, McGill University

HPCVL (Ontario, 8 partner institutions) – www.hpcvl.org “The tremendous impact on the Canadian research enterprise of the wide array of HPC resources that have been made available through HPCVL and other consortia and now being enhanced through the coordination efforts of Compute Canada should not be underestimated. Researchers are doing research they had never thought possible in their careers, opening up areas to new research programs and collaborations. It is an exciting time when you think of the potential of all of this work!” Ken Edgecombe, Executive Director, HPCVL

SciNet (University of Toronto and affiliated institutions) – www.scinet.utoronto.ca “The start-up phase of any new enterprise is exhilaratiing, but the design-build of the recently inaugurated SciNet HPC facility of the University of Toronto has been that and more. Our first difficulty was to find a location with adequate power, a search which took us well north of the city proper. The second was to choose an appropriate mix of infrastructure—which proved to be non-trivial. With the systems now chosen and installed delivering a peak aggregate power of ~360 Tflops, we expected them to be attractive to users. What I could not predict was how attractive! There can be no better measure of the need for HPC in Canada, across all disciplines, than the drawing power of truly competitive infrastructure.” Richard Peltier, Scientific Director,SciNet Scientific Director

SHARCNET (Ontario, 17 partner institutions) – www.sharcnet.ca “It is difficult to think of a discipline not touched in some way by HPC; for many disciplines, HPC is now a critical compo- nent of innovation and discovery. Through training, skilled support staff and high-end equipment, SHARCNET enables the effective use of this new “engine of discovery” in fields as diverse as the environment, genomics, nanotechnology, digital media and the humanities.” Hugh Couchman, Scientific Director,SHARCNET

WestGrid (4 provinces, 14 partner institutions) – www.westgrid.ca “WestGrid’s diversity of users – leaders in their fields of science, mathematics, engineering and humanities – is a prime example of the vast scope of research disciplines that are dependent on access to HPC resources. Scientists using WestGrid resources are using computers to model processes that were previously studied only in the laboratory, thereby greatly extending these studies. This saves time and money in the development of new ideas and products that enrich the lives of Canadians.” Michel Vetterli, Co-Founding Principal Investigator, WestGrid Network Partners : CANARIE, ACORN-NS, ACORN-NL, NB ORAN, RISQ, ORION, MRnet, SRnet, Yukon, NWT, Cybera, BCNET

3 Andrew Woodsworth Lorne A. Babiuk, FRSC John Hepburn, FRSC W. E. (Ted) Hewitt, Ph.D Galaxy Consulting Vice-President (Research) Vice President Research Vice-President (Research & Inter- (Chair) University of Alberta University of national Relations) The University British Columbia of Western Ontario

Joseph Hubert Chris Loomis Kerry Rowe, FRSC, FCAE Denis Thérien Vice-Rector Research Vice President (Academic), Vice-Principal (Research) Vice-President Research and Université de Montréal Pro Tempore, Memorial Queen’s University International Relations University of (Past Chair) McGill University Newfoundland

Board of Directors

“The Board of Directors wishes to express its gratitude to the Government of Canada, the Canada Foundation for Innovation, and the R. Paul Young, PhD, FRSC Susan Baldwin Provincial Governments for their commitment Vice-President, Research Executive Director, University of Toronto Compute Canada to Canadian research and to ensuring our researchers and scientists have

the high performance computing tools Robert Davidson Director, Programs, and support they need to advance Canada Foundation for Innovation innovation and excellence.” (Observer)

Judith Chadwick David Sénéchal Executive Director, Directeur Réseau québécois Research Services, de calcul de haute University of Toronto performance (Advisor) Université de Sherbrooke (Advisor)

4 Compute Canada: Engines of Discovery Securing our Future

From Fuel Efficient Cars to Safe Plastic The investigation of chemical systems at atomic level may lead to the development industry, used a molecular modeling the atomic and electronic levels has far- of anti-wear materials resulting in more program initiated by Dr. Woo to develop reaching applications in the design of fuel-efficient cars. Such research would not new catalysts now used commercially to new materials and the development of have been possible in Canada without produce safe plastics in mass quantities. new chemical processes that will improve SHARCNET and HPCVL. General Motors, Dr. Tom Woo material composition, safety and utility. Nova Chemicals, Mitsui Chemicals and University of Ottawa Simulating the high pressure compression Defense Research and Development Canada Research Chair in Catalyst of anti-wear materials protecting a car's Canada have all taken advantage of Modeling and Computational internal engine surfaces and understanding Professor Woo's discoveries. Nova Chemi- Chemistry how they function at the fundamental cals, a leader in the commodity chemical AngMokio

5 Preventing Market that the process followed by credit includes “jump processes”, Meltdown the current meltdown is not so improbable. In fact, we can The current market meltdown is widely expect such situations about attributed to poor hedging and mispricing once every ten years. By refor- of credit derivatives. Current models mulating the standard models, make the assumptions that credit quality an optimal hedging strategy moves randomly, but changes are small can be designed. This more in small time intervals; and, that it is always general approach can handle possible to trade credit derivatives and jump processes and liquidity bonds, so that a dynamic hedging strategy effects. The availability of SHAR- can be carried out. For a long time people CNET computing resources makes it have realized that these two assumptions possible to test and validate these more are unrealistic. The underlying process for general market models. credit quality should include “jump processes”, that is, a method for accounting Dr. Peter Forsyth for large discontinuous changes. The University of Waterloo current global economic crisis has been Numerical Methods described as an unforeseeable and im- probable event. However, if one assumes

Simulating Heartbeats: Electrophysiology of the Human Heart

The contraction of the cardiac muscle is heart surgery. Using 2 million elements, orchestrated by an electric current which the team at the UdeM carried out the is produced at the level of cellular mem- largest mathematical simulation of the brane of the heart's muscles. Several electrical activity of the human heart ever heart diseases modify the channels and realized to date. This model is employed pumps that are the source of these currents to verify different hypotheses concerning or the electrical links between the cells, the relations between anomalies of cellu- thereby changing the electric current's lar properties, the pathophysiology of the propagation through the heart. These heart and its control by the nervous system complex cellular mechanisms are being and measurable signals. studied at the Université de Montréal. Mark Potse and Alain Vinet In 1982, heart models used 23 elements. Institut de génie biomédical Recently, the RQCHP's Altix 4700 (a large Centre de recherche de shared memory computer) provided the l’Hôpital du Sacré-cœur memory needed for a "bi-domain" model Faculté de médecine de of the human heart, i.e. a model which l’Université de Montréal also simulates the extra-cellular electric Département de cardiologie potentials inside the heart. Such a model expérimentale de l'Université Université de Montréal Université permits the simulation of the signals d’Amsterdam measured with intracardiac catheters as well as signals obtained during open

6 Body vs. Environment Every day, an unconscious battle takes place fighting infection in both between our bodies and our surroundings. humans and animals. Her A daily barrage of tens of thousands of team is developing a potentially infectious microbes infiltrates comprehensive database our air, food, water, and our interactions that not only provides a with other people and animals. Our comprehensive view of the immune system is constantly on duty to immune system, it will also protect us. But sometimes our systems permit researchers to focus can become over-stimulated, leading to on key system pathways inflammation of tissue and even sepsis – and genes that could be a deadly infection of blood or tissue. primary drug targets. - Fabelfroh Kristian Peters her research team are gathering through Fiona Brinkman is leading a search for Large archive systems and guaranteed their collaborations, experiments, and answers about what controls our biological rapid access to that stored data are essential ongoing analysis. system. Her contributions to the Genome to Brinkman’s work. WestGrid’s dynamic Dr. Fiona Brinkman Canada Pathogenomics Project will provide archive resources enable Brinkman to the basis for developing new methods of capitalize on the data-rich results she and Simon Fraser University

Finding Answers in rise impacts expected from ongoing glacier retreat in the decades ahead. This work is the Arctic fundamental to identifying and under- standing the effects of climate change. For most people, the Arctic conditions of the far north represent an environment Dr. Shawn Marshall they have never experienced, nevermind University of Calgary one they would choose to experience. Glaciologist Shawn Marshall, however, considers it a welcome escape from his When Marshall comes in from the cold, he computer. depends on high performance computing resources to turn his field data into models Since 1991, the University of Calgary for coupled climate simulations. WestGrid’s Associate Professor has pursued a passion computing systems are an important tool for understanding the complex and con- in this process. Marshall uses WestGrid sequential problems related to icefield resources for high-level scientific pro- dynamics and their sensitivity to climate gramming and what he calls “old change. This passion has taken Marshall fashioned number crunching” of weather to remote regions in Elsmere Island and forecast and climate change models. Iceland, where he has investigated processes of deglaciation as well as the His research will provide insights that can reconstruction of the Last Glacial Maximum be applied to regional- and global-scale ice sheets in North America, the fate of icefield simulations and will improve fore- the Greenland Ice Sheet in the coming casts of the water resource and sea-level centuries, and implications for sea

level rise. Marshall of Calgary – University Shawn

7 Quantum Information Quantum information is a dynamic field of Recently, the team has developed a research that aims at harnessing quantum detailed theoretical understanding of the mechanical effects to realize computers qubit-state readout mechanisms in circuit that would be exponentially faster than QED, whose validity has been confirmed those offered by current technology. With numerically at RQCHP, and succeeded in colleagues at Yale University, Alexandre explaining puzzling features seen experi- Blais has developed a superconducting mentally. The team is now studying the qubit (quantum bit) architecture known first experimental implementation of as “circuit QED” which is now one of the simple quantum algorithms in a solid-state leading designs. In collaboration with quantum processor. experimentalists at Yale and the ETH Zurich, Alexandre Blais the Physics of Quantum Information Département de physique group at the Université de Sherbrooke is de l’Université de Sherbrooke studying several aspects of this system. ETH Zurich

8 Compute Canada is grateful for the contributions of the many individuals and institutions who serve on committees. Their significant commitment of time and expertise is building a truly national organization and strengthening HPC for Canadian researchers. National Resource Allocation Committee Voting Jeff Racine Senator William McMaster Chair in Econometrics, Chair Gren Patey McMaster University Chemistry, University of British Columbia Joerg Sack David Clarke School of Computing Science, Carleton University Astronomy, St. Mary’s University Pierre Savard Christian Gagné Physics, University of Toronto Electrical and Computer Engineering, Université Laval David Sénéchal Andrew Gerber Département de physique, Université de Sherbrooke Mechanical Engineering, University of New Brunswick Clinton Groth Non-Voting University of Toronto Institute for Aerospace Studies Susan Baldwin Hong Guo Executive Director, Compute Canada Condensed Matter Physics, McGill University John Morton Richard Keeler SHARCNET (advisor) Particle Physics, University of Victoria Patrick Pilot Allan MacIsaac Senior Programs Officer, CFI Applied Mathematics, University of Western Ontario Lael Parrott Geography, Université de Montréal

Community Planning And Advocacy Council Don Aldridge Industry Executive, Research and Life Sciences, IBM Canada Susan Baldwin Executive Director, Compute/Calcul Canada, (Chair) Gilbert Brunet Director, Meteorological Research, Environment Canada Rick Bunt Chair, Canadian University Council of Chief Information Officers Allan MacIsaac Asst. Professor, Department of Applied Mathematics, University of Western Ontario Andrew Pollard Queen’s Research Chair in Fluid Dynamics and Multiscale Phenomenon, Queen’s University Ray Siemens Canada Research Chair, Humanities Computing, University of Victoria Rob Thacker Canada Research Chair in Astrophysics, St. Mary’s University André-Marie Tremblay Canada Research Chair in Condensed Matter Physics, Université de Sherbrooke James Wadsley Associate Professor, Physics and Astronomy, McMaster University

9 The National Initiatives Committee (NIC) works The National Administration Committee (NAC) with the Executive Director to oversee implementa- brings together research administrators from the tion of the national vision for academic HPC and to consortia-lead institutions who are the primary promote effective coordination among member points of contact for CFI and other external sponsors consortia. in applying for and administering project funding. Susan Baldwin The NAC works in close cooperation with the Executive (Compute Canada) Director and under the authority of the Compute Canada Board on issues of national administrative Hugh Couchman coordination. (SHARCNET) McMaster University Dominique Bérubé Robert Deupree (RQCHP) Université de Montréal (ACEnet) Saint Mary’s University Lynda Brulotte Ken Edgecombe (WestGrid) University of Alberta (HPCVL) Queen’s University Judith Chadwick, Chair Richard Peltier (SciNet) University of Toronto (SciNet) University of Toronto Sandra Crocker David Sénéchal, Chair (CLUMEQ) McGill University (RQCHP) Université de Sherbrooke Mary Purcell Peter Tieleman (HPCVL) Queen’s University (WestGrid) University of Calgary Dan Sinai Jorge Vinals (SHARCNET) University of Western Ontario (CLUMEQ) McGill University Pamela White Michel Vetterli (ACEnet) Memorial University (WestGrid) Simon Fraser University/TRIUMF of Newfoundland

TECC brings together the technical experts from the seven Compute Canada regional HPC consortia to collaborate to maintain the hardware and software of member instituitions. Susan Baldwin (Compute Canada) Greg Lukeman (ACEnet) St. Francis Xavier Florent Parent (CLUMEQ) Université Laval Chris MacPhee (HPCVL) Queen’s University John Morton, Chair (SHARCNET) Rob Simmonds (WestGrid) Alain Veilleux (RQCHP) Université de Sherbrooke Leonard Zeifman (SciNet) Sick Children’s Hospital

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