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Summary Report: IESP Workshop 2 Paris, France

June 28-29, 2009

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The initial focus of the International Exascale Software Project (IESP) is on staging a series of three international meetings, one each in the United States, Europe and Asia beginning in the spring 2009. Information about all these meetings can be found at the project website, www.exascale.org. This is a summary report of activities of the second IESP workshop, which was held in Paris France on June 28 and 29, 2009. Attendees included members from industry, academia, and government, with expertise in a range of critical areas. This was a follow up to the workshop that was held in Sante Fe, New Mexico, USA, on April 7 and 8, 2009.

The overarching goal of this series of meetings is to create a plan for a coordinated international effort to create a common software cyberinfrastructure capable of meeting the architectural challenges of current and future peta/exascale systems and the application challenges of the visionary research agendas they must serve. The objectives this plan should incorporate, and which therefore need be addressed at these meetings, include the following:

! Provide a framework for organizing the software research community: The IESP will articulate an organizational framework designed to enable the international software research community to work together to deliver more capable and productive HPC systems. The framework will include elements such as initial working groups, outlines of a system of governance, alternative models for shared software development with common code repositories, feasible schemes for selecting valuable software research and incentivizing its translation into usable, production-quality software for application developers, etc. This organization must also foster and help coordinate R&D efforts to address the emerging needs of users and application communities on new platforms, such as Jaguar and Blue Waters in the US, JUGENE in Germany, and the next generation RIKEN system in Japan.

! Create a thorough assessment of needs, issues and strategies: As part of its planning process, the IESP will assess the short-term, medium-term and long-term needs of applications for peta/exascale systems. Participation in the IESP from representative application communities and vendors will help ensure the adequacy of these assessments. The work of the organization that emerges from the IESP must be prepared to provide the key research-oriented funding agencies around the world with a series of well-crafted reports on the critical technical issues of peta/exascale software infrastructure and with alternative strategies, both technical and programmatic, for solving them.

! Initiate coordinated software roadmap: Working with the results of its application needs assessment; the IESP will initiate the development of a coordinated roadmap to guide open source HPC software development with

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better coordination and fewer missing components. This roadmap will help to guide both cooperative development and joint research efforts.

! Encourage and facilitate collaboration in education and training: The magnitude of the changes in programming models and software infrastructure and tools brought about by the transition to peta/exascale architectures will produce tremendous challenges in the area of education and training. The IESP plan will therefore provide for cooperation in the production of education and training materials to be used in curricula, at workshops and on-line.

! Engage and coordinate vendor community in crosscutting efforts: To leverage resources and create a more capable software infrastructure for supporting exascale science, the IESP will engage and coordinate with vendors across all of its other objectives. Vendor participation in and contributions to all of these objectives — comprehensive application needs assessment, well-ordered but adaptive software roadmap, organized framework for cooperation, coordinated R&D programs for new exascale software technologies — will be encouraged and facilitated.

Attendance to these workshops was by invitation only. The Paris workshop had 65 people in attendance.

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The main goal of the Paris meeting was to initiate development of a coordinated software roadmap and get the participants fully engaged with the process of developing a draft version. Since the roadmap is intended to be a living document, used to guide and coordinate the work of the international open source software community over time, it is intended to serve as the vehicle through which progress on the other objectives in the plan are expressed. For example, the most fundamental set of inputs into the roadmap are the assessments of the short, medium and long term needs, issues, and strategies emerging from an analysis of emerging peta/exascale architectures and the scientific research agendas we aspire to serve. Consequently the majority of the effort at the second workshop was concentrated on those analyses and assessments, which are described in more detail below. On the other hand, the other objectives of the plan can be thought of as a derived product of the roadmap, once it is created. These objectives include the following:

! Provide a framework for organizing the software research community ! Encourage and facilitate collaboration in education and training ! Engage and coordinate vendor community in crosscutting efforts

On this analysis, therefore, the development of the IESP roadmap is essentially the pivot point for the overall planning effort. The ultimate goal of the entire community effort – the development of a common, high quality computational environment for peta/exascale systems to serve the entire research community – will be realized through the successful execution of the plan in all its elements. The discussion of strategies for catalyzing, coordinating, and sustaining the effort of the international open source software community to create that environment as

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quickly as possible began at this workshop, but could not be fully engaged. It seems clear that this part of the plan can be made concrete only after the roadmap has become more clear and complete in its direction and details. Therefore, the workshop concentrated on that goal.

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After plenary sessions to establish common context, the participants at the workshop divided into four breakout groups –software, applications, vendors (industrial collaborators), and funders. The division was intended to facilitate the analysis and assessment of the underlying needs, issues and strategies that must feed into the roadmap. The software group, which was the largest, found it natural to divide again in order to attend to intra-processor and inter-processor issues separately; the results of their discussions were then consolidated at the end of the workshop.

In a general sense, these four breakout groups identify the key structural components of the roadmap. Each of the breakouts groups prepared more detailed reports of the work, and these accounts are included below. But their separate results may be summarized here as follows:

! Software subgroup – In a very real sense, the software part of the IESP roadmap forms the center of the effort. The results of the work of the software subgroup during and following the second meeting reflect this fact. This includes not only a detailed inventory of the wide range of issues that were raised, discussed and assessed at the meeting, but more importantly it includes an analysis of the goals, assumptions, expected benefits and basic requirements for the roadmap itself. The former are in the notes and the summary from the breakout sessions, which were intellectually strenuous group efforts, condensed into two days, to survey all the critical issues in this area so far as they can be seen today. In each main category the participants described the current situation, the state of the art, the actions that we can see need to be taken to reach the next level, and the research paths that remain to be explored to make the necessary discoveries that we cannot yet see. The latter are included in the initial draft of the software roadmap, which focuses on goals, assumptions, priorities and requirements that the software roadmap should meet.

! Application subgroup – The application subgroup divided its roadmap problem into three parts: selecting representative application domains that tie research to platforms available over the next ~10 years; detailing the software challenges that are likely to be raised by effort to scale up to these problems; and establishing a list of experts from these domains who can provide further insight, analysis and validation of roadmap issues. Their report provides some details on all three items. The groups charge for the third workshop was to contact the experts listed and get their input on the computational and software infrastructure issues that the group identified. To gather input for planning a community mobilization strategy, the experts will also be asked to identify !"#$%&'()!$*+$!"#$,(-!$&()"%.#$)"(./#$!"#0$"(1$!*$+()#$*.$!"#%2$('',%)(!%*.-$(porting, optimization, re-writing, etc.)

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and on their approach to doing simulation, and the expected impact of the next machine change (going from Tflops to Pflops, Pflop to Eflops).

! Funding subgroup: If international cooperation in creation of tomorrow software cyberinfrastructure is to succeed, the national funding agencies for HPC software must work together. The results of the funding breakout sessions, both in the slides and in post-meeting summary, make it clear that they are motivated to do so. These agencies recognize that the combined urgency and scope of the problem necessitate a coordinated, global response. But such a response will require in turn that an exascale software integration methodology and strategy be developed. The software roadmap will play a key role in that effort, since it will be essential for funding agencies to plan their programs and to define potential major initiatives. At a minimum, those requirements must be expressed in the roadmap by the classification of software topics into those that are mainly implementation issues, those that require a stopgap solution, and those in which a completely new approach is needed. Helping these agencies succeed for the community also means that the societal benefits of exascale, as well science and engineering case, need to be clarified and further developed.

! Vender/Industrial collaborators – The discussions of community collaboration with vendor or industrial partners focused on potential mechanisms and models that could facilitate such collaboration in a mutually productive and sustainable way. The analysis this group was able to provide is detailed, wide-ranging and penetrating. Leveraging lessons derived from experience with other large-scale science and engineering projects (e.g. big instruments), it draws out the practical implications of hardware and software on high-performance computing markets and reviews plausible models for industry/government/community collaboration.

! In general, the second workshop provided the framework that the project needs to pursue in going forward. More specifically, the key components of roadmap have been identified and their content has begun to be filled in. An initial group of authors who will lead the effort to take the roadmap components forward has been identified, though it is clear many volunteers will be needed to help finish this work in or for the project to stay on schedule. In preparation for the meeting in Japan in October, review of the workshop results continues in order to ensure that cross cutting issues and possible gaps are being identified and covered.

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!"#$%&%'"($)!"Pete Beckman, ANL, US; Franck Cappello, INRIA, France; Barbara Chapman, U of Houston, US; Alok Choudhary, NWU, US; Jack Dongarra, U of Tennessee, US; Sudip Dosanjh, SNL, US; Luc Giraud, CERFACS, France; Bill Gropp, UIUC, US; Mike Herioux, Sandia, US; Yutaka Ishikawa, U of Tokyo, Japan; Jesus Labarta, BSC, Spain; Bob Lucas, ISI, US; Barney MacCabe, ORNL, US; Satoshi Matsuoka, TiTech, Japan; Bernd Mohr, Juelich, Germany; Hiroshi Nakashima, U of Kyoto, Japan; Mitsuhisa Sato, U of Tsukuba, Japan; John Shalf, LBNL, US; David Skinner, LBNL, US; Thomas Sterling, LSU, US; Anne Trefethen, Oxford, UK; Mateo Valero, BSC, Spain; Jeffery Vetter, ORNL, US; #$%&'(')"#*+,*&'-."/*01*2"34%4+"5."6700'%8"Kathy Yelick, LBNL, US;"

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Preliminaries

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Intra-Node Discussions!

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Experts to be

contacted

Expert Organisati

on Email expert IESP contact Region Comment ECMWF ECMWF JC André EU Climate, NCAR NCAR Giovanni US Weather, A. Sumi Mutsumi AOYAGI Japan Weather, Climate

H. Calandra TOTAL

Henri.CALANDRA@total.com JP Nominé EU Earth Science expert

?? Mutsumi AOYAGI Japan Earth Science expert ?? Sanje Kale US Earth Science expert

0#1*2#/3&

4'(51*#3&61/*2&

78(#"8#)&

W. Hillebrandt Stefan Heinzel EU Astro ?? Stefan Heinzel EU Astro Quinn Sanje Kale US Astro

E. Audit CEA

edouard.audit@cea.fr JC Nomine EU Astro

Ricker Sanje Kale EU Astro M. Normann Sanje Kale US Cosmology S. White Stefan Heinzel EU Cosmology J. Makino Mutsumi AOYAGI Japan Cosmology T. Lippert T. Lippert EU LQCD R. Kenway T. Lippert EU LQCD A. Ukawa Mutsumi AOYAGI Japan LQCD S. Gottlieb T. Lippert US LQCD

Astrophysics, HEP and

Plasma Physics

S. Gunter Stefan Heinzel EU Plasma physics

14

E. Sonnendruecker C. Puech EU Plasma physics Sato Mutsumi AOYAGI Japan Plasma physics R. Parinello Nagel EU Materiels science G. Martyna Sanje Kale US Materiels science Binder Nagel EU Materiels science G. Zerah Colin de la Verdière EU Materiels science K. Terakura Mutsumi AOYAGI Japan Materiels science Scheffler Stefan Heinzel EU Materiels science T. Dunning Sanje Kale US Chemistry J. Pople Mutsumi AOYAGI Japan Chemistry K. Hirao Mutsumi AOYAGI Japan Chemistry D. Marx Nagel EU Chemistry R. Harisson Sanje Kale US Chemistry

T. Schulthess CSCS

thomas.schulthess@cscs.ch JC Nominé EU Nanomateriels

T. Deutsch Colin de la Verdière Nanomateriels S. Bluegel Nagel EU Nanomateriels Cuniberti Nagel EU Nanomateriels

K. Schulten Sanje Kale US Molecular biology A. Grubmueller Stefan Heinzel EU Molecular biology T. Simonson A. Lichnewsky EU Molecular biology R. Lavery A. Lichnewsky EU Molecular biology H. Nakamura Mutsumi AOYAGI Japan Molecular biology Masella A. Lichnewsky EU Molecular biology K. Schulten Sanje Kale US System biology Lengauer Stefan Heinzel EU Bio informatics D. Bader Sanje Kale US Bio informatics Aluru Sanje Kale US Bio informatics Masella A. Lichnewsky EU Molecular biology

Life Sciences

C. Rossow JC André US Aeronautics E. Chaput AIRBUS JC André EU Aeronautics D. Emerson Ashworth EU Aeronautics Schroeder Nagel EU Turbo machinery P. Moin JC André US Turbo machinery

Y. Fournier EDF yva.fournier@edf.fr JY Berthou EU Nuclear energy (CFD)

T. Courau EDF tanguy.courau@edf.fr JY Berthou EU

Nuclear energy (Neutronics)

C. Chauliac CEA JY Berthou EU Nuclear energy (Neutronics)

Engineering

?? US

15

?? Japan M. Heath Sanje Kale US Rockets K. Fuji Mutsumi AOYAGI Japan Rockets

JD Mattei EDF

jean-daniel.mattei@edf.fr JY Berthou EU Hydraulics

Kaneda Mutsumi AOYAGI Japan Hydraulics

X. Warin EDF xavier.warin@edf.fr JY Berthou EU Production optimization

Finance & Optimisation

G. Zerah Colin de la Verdière EU Finance

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22

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efforts only

(no

product).

Financial +

reputation

Financial +

All

Programmatic

+ reputation

mission not

accomplished

(Level of Effort)

with some after

demo

Co-design

and co-

development

Co-mingled

risk

Co-mingled

risk

Co-mingled

risk

Not specified

Base plus

value add

Financial

Risk for base

function +

upside

potential for

value add

income

All

Programmatic

+ reputation

Risk only

base function

achieved +

risk of

unexpected

budget

swings

Almost all at the

end after a

completely

working base

solution is

delivered + value

add payments as

appropriate

!!!

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!

33

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!!(((((((((((((((((

34

!"#$%$&'()%*+,-%.//0%$&'1(2(3&,1)%%%%

Giovanni Aloisio University of Salento, Lecce Italy

Patrick Aerts NWO NL Jean-Claude Andre CERFACS France Mutsumi Aoyagi U Kyushu Japan Mike Ashworth Daresbury UK Franck Barbier ANR France David Barkai Intel US Sanzio Bassini CINECA Italy Kyriakos Baxevanidis EU EU Pete Beckman ANL US Jean-Yves Berthou EDF France Taisuke Boku U of Tsukuba Japan Bertrand Braunschweig ANR France Franck Cappello INRIA France Barbara Chapman U of Houston US Alok Choudhary NWU US Iris Christadler LRZ Germany

Guillaume Colin de Verdière CEA France

Jack Dongarra U Tennessee US Sudip Dosanjh SNL US Hugo Falter ParTec Germany Teresa Finchum UTK US Fabrizio Gagliardi Microsoft Italy Alan Gara IBM US Luc Giraud CERFACS France Kostas Glinos EU EU Jean Gonnord CEA France Bill Gropp UIUC US Stefan Heinzel Max Planck DEISA Germany Mike Herioux Sandia US Yutaka Ishikawa U of Tokyo Japan Jean-Pascal Jégu Teratec France Zhong Jin CAS China Fred Johnson DOE US Andrew Jones NAG UK Laxmilkant Kale UIUC US David Keyes Columbia U. US Kimmo Koski CSC Finland

35

Bill Kramer NCSA US Jesus Labarta BSC Spain Jean-Francois Lavignon Bull France Alain Lichnewsky Genci France Thomas Lippert Juelich Germany Bob Lucas ISI US Barney MacCabe ORNL US Satoshi Matsuoka TiTech Japan Paul Messina ANL US Peter Michielse NWO NL Bernd Mohr Juelich Germany Terry Moore UTK US Hervé Mouren Teratec France Wolfgang Nagel Dresden Germany Hiroshi Nakashima U Kyoto Japan Jean-Philippe Nominé CEA France Abani Patra NSF US Serge Petiton CNRS France Claude Puech INRIA France Tracy Rafferty UTK US Dan Reed Microsoft US Catherine Rivière GENCI France Christian Saguez Teratec France Mitsuhisa Sato U of Tsukuba Japan Ed Seidel NSF US John Shalf LBNL US David Skinner LBNL US Thomas Sterling LSU US Makoto Taiji Riken Japan Anne Trefethen Oxford UK Mateo Valero BSC Spain Jeffery Vetter ORNL US Vladimir Voevodin Moscow State U Russia Peg Williams Cray US Kathy Yelick LBNL US