1. Project Leader, NAREGI Project Professor, National Institute of Informatics Fellow, Fujitsu Laboratories Limited Kenichi Miura, Ph.D. National Research Grid Initiative (NAREGI) December 9, 2003

2. Grid Related Projects in Japan Information Technology Based Lab (ITBL ） Super-SINET(NII) VizGrid (Prof. Matsuzawa, JAIST) BioGrid (Prof. Shimojo, Osaka-U) Campus Grid(Prof. Matsuoka, Titech) National Research Grid Initiative (NAREGI) Grid Technology Research Center(Mr. Sekiguchi) Japan Virtual Observatory (JVO)

3. Super SINET NOC SINET NOC Super SINET SINET Visualization Reusable Space Transportation Vehicle Example. 2: Aerospace Integrated Simulation Flutter (CFD-Structure) Airframe-Propulsion Interference (CFD-Chemical Reaction) Aerodynamic Heating (CFD-Thermal Structure) Separation (CFD-Flight Dynamics) Engine Noise (CFD-Aero Acoustics) Flight Stability (CFD-Control) ITBL provides: ・ Problem Solving Environment ・Distributed Supercomputing ・Collaborative Engineering ・High Speed Handling of Massive Data Information Technology Based Laboratory (ITBL) The goal of ITBL is to support virtual laboratory for large-scale computational science and engineering simulations, by facilitating interactions among heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. DBDB First Principle Calc. MD Simulation Example. 1: Material Design Simulation ITBL is one of e-Japan National Priority Program ｓ

4. Computational Resources of ITBL Super SINET (10Gbps) SINET(1Gbps) SV1exSX-6iPC cluster Origin3800T3E-1200ESC/ES40Origin3200Prime PowerSX-6VPP5000pSeries690Atrix 3800SR2201SR8000 宇宙航空研究開発機構 Japan Aerospace Exploration Agency 防災科学技術研究所 National Research Institute for Earth Science and Disaster Prevention 日本原子力研究所 ( 東海研究所・那珂研究所・関西研究所・上 野本部 ) Japan Atomic Energy Research Institute (Tokai Research Establishment, Naka Fusion Research Establishment, Kansai Research Establishment, Center for Promotion of Computational Science and Engineering) 理化学研究所 RIKEN 接続サイト Sites Connected 東京大学生産技術研究所 Institute of Industrial Science University of Tokyo 東北大学 ( 金属材料研究所・流体科学研究所・災害制御セン ター ) Tohoku University (Institute for Materials Research, Institute of Fluid Science, Disaster Control Research Center) 京都大学島崎研究室 Kyoto University Shimazaki Laboratory 九州大学松尾研究室 Kyushu University Matsuo Laboratory 北陸先端科学技術大学院大学 Japan Advanced Institute of Science and Technology 核破砕水銀ターゲット （大強度陽子線加 速器） Nuclear Spallation Mercury Target (High Intensity Proton Accelerator) ITBL/TOMBO （ナノ・シミュレーショ ン） Nano Simulation TUNAMI （津波予測） Tsunami Prediction SPEEDI/ITBL （数値環境） Numerical Environment System タンパク質構造解析 Information Sharing System for Bioinformatics レーザー解析 Laser Analysis アドベンチャー （次世代構造解析） ADVENTURE (Large Scale Finite Element Analysis Package)

5. KEK NII Operation U. of Tokyo NIG ISAS Nagoya U. Kyoto U. Osaka U. DataGRID for High-energy Science Computational GRID And NAREGI Nano-Technology For GRID Application OC-48+ transmission for Radio Telescope Bio-Informatics NIFS Kyushu U. Hokkaido U. Okazaki Research Institutes Tohoku U. Tsukuba U. Tokyo Institute of Tech. Waseda U. Doshidha U. NAO NII R&D SuperSINET: All Optical Production Research Network (separate funding) ■ 10Gbps Photonic Backbone ■ GbEther Bridges for peer- connection ■ Very low latency – Titech- Tsukuba 3-4ms roundtrip ■ Operation of Photonic Cross Connect (OXC) for fiber/wavelength switching ■ 6,000+km dark fiber, 100+ e-e lambda and 300+Gb/s ■ Operational since January, 2002

6. Network Topology Map of SuperSINET

7. National Research Grid Initiative (NAREGI) Project:Overview - A new R&D project funded by MEXT (FY2003-FY2007) ~17M$ budget in FY2003 - One of Japanese Government’s Grid Computing Projects - Collaboration of National Labs. Universities and Industry in the R&D activities (IT and Nano-science Apps.) - Acquisition of Computer Resources underway (FY2003) MEXT:Ministry of Education, Culture, Sports,Science and Technology

8. (1) To develop a Grid Software System (R&D in Grid Middleware and Upper Layer) as the prototype for future Grid Infrastructure in scientific research in Japan (2) To provide a Testbed to prove that the High-end Grid Computing Environment (100+Tflop/s expected by 2007) can be practically utilized in the Nano-science Simulations over the Super SINET. (3) To Participate in International Collaboration (U.S., Europe, Asian Pacific) (4) To Contribute to Standardization Activities, e.g., GGF National Research Grid Initiative (NAREGI) Project:Goals

9. Participating Organizations National Institute of Informatics (NII) (Center for Grid Research & Development) Institute for Molecular Science (IMS) (Computational Nano ‐ science Center) Universities and National Laboratories(Joint R&D) (AIST, Titech, Osaka-u, Kyushu-u, Kyushu Inst. Tech., Utsunomiya-u, etc.) Research Collaboration (ITBL Project, National Supecomputing Centers etc.) Participating Vendors (IT and Chemicals/Materials) Consortium for Promotion of Grid Applications in Industry

10. Nano-science Applicatons Director(Dr. Hirata, IMS) Operations R&D Group Leader SuperSINET Technical Requirements Utilization of Network Operations Technology Dev. R&D AIST (GTRC) Joint Research National Supercomputing Centers Universities Research Labs. Coordination/ Deployment Center for Grid Research & Development (National Institute of Informatics) Network Technology Refinement National Supercomputeing Centers Coordination in Network Research R&D of Grand-challenge Grid Applocations （ ISSP,Tohoku-u, ， AIST etc. ， Industrial Partners ） MEXT Group Leaders Grid R&D Progam Management Committee ITBLProject （ JAERI ） ITBLProject Dir. Operation ｓ Utilization of Computing Resources Computational Nano-science Center （ Institute for Molecular Science ） NAREGI Research Organization and Collaboration Joint Research Grid R&D Advisory Board Grid Networking R&D Grid Middleware and Upper Layer R&D Project Leader (K.Miura, NII) (Titech,Osaka-U, Kyushu-U. etc) ） R&D Joint Research Computer Resources (Acquisition in FY2003) NII: ~5Tflop/s IMS: ~10Tflop/s Consortium for Promotion of Grid Applications in Industry

11. NAREGI Software Stack WP6: Grid-Enabled Apps WP3: Grid PSE WP3: Grid Workflow WP1: SuperScheduler WP1: Grid Monitoring & Accounting WP2: Grid Programming -Grid RPC -Grid MPI WP3: Grid Visualization WP1: Grid VM （ Globus,Condor,UNICORE  OGSA) WP5: High-Performance & Secure Grid Networking WP4: Packaging

12. WP-1: Lower and Middle-Tier Middleware for Resource Management: Matsuoka (Titech), Kohno(ECU), Aida (Titech) WP-2: Grid Programming Middleware: Sekiguchi(AIST), Ishikawa(AIST) WP-3: User-Level Grid Tools & PSE: Miura (NII), Sato (Tsukuba-u), Kawata(Utsunomiya-u) WP-4: Packaging and Configuration Management: Miura (NII) WP-5: Networking, Security & User Management Shimojo (Osaka-u), Oie ( Kyushu Tech.) WP-6: Grid-enabling tools for Nanoscience Applications : Aoyagi (Kyushu-u) R&D in Grid Software and Networking Area (Work Packages)

13. WP-1: Lower and Middle-Tier Middleware for Resource Management Unicore  Condor  Globus Interoperability - Adoption of ClassAds Framework Meta-scheduler - Scheduling Schema - Workflow Engine Auditing and Accounting - Attaches to multiple monitoring framework - User and job auditing - CIM-based node information schema - Accounting based on user/job audit

14. WP-1: Lower and Middle-Tier Middleware for Resource Management(Continued) Self-Configurable Monitoring Grid Self-Configuration Management (including packaging) GridVM( Lightweight Grid Virtual Machine) - Support for Co-scheduling - Fine-Grained Resource Control - Node (IP) virtualization - Interfacing with OGSA

15. WP-2:Grid Programming – GridRPC/Ninf-G2 (AIST/GTRC) GridRPC Server sideClient side Client GRAM 3. invoke Executable 4. connect back Numerical Library IDL Compiler Remote Executable 1. interface request 2. interface reply fork MDS Interface Information LDIF File retrieve IDL FILE generate Programming Model using RPC on the Grid High-level, taylored for Scientific Computing (c.f. SOAP-RPC) GridRPC API standardization by GGF GridRPC WG Ninf-G Version 2 A reference implementation of GridRPC API Implemented on top of Globus Toolkit 2.0 (3.0 experimental) Provides C and Java APIs

16. WP-2:Grid Programming -GridMPI (AIST and U-Tokyo) Provides users an environment to run MPI applications efficiently in the Grid. Flexible and hterogeneous process invocation on each compute node GridADI and Latency-aware communication topology, optimizing communication over non-uniform latency and hides the difference of various lower-level communication libraries. Extremely efficient implementation based on MPI on Score (Not MPICHI-PM) GridMPI RSH P-to-P Communication PMv2Others Vendor MPI Other Comm. Library Latency-aware Communication Topology Grid ADI MPI Core Vendor MPI GRAM SSH RIM IMPI TCP/IP

17. WP-3: User-Level Grid Tools & PSE Grid Workflow - Workflow Language Definition - GUI(Task Flow Representation) Visualization Tools - Real-time volume visualization on the Grid PSE /Portals - Multiphysics/Coupled Simulation - Application Pool - Collaboration with Nano-science Applicatons Group PSE Toolkit PSE Portal PSE Appli-pool Super-Scheduler Application Server Problem Solving Environment Information Service Workflow

18. WP-4: Packaging and Configuration Management Collaboration with WP1 management Issues –Selection of packagers to use (RPM, GPT?) –Interface with autonomous configuration management (WP1) –Test Procedure and Harness –Testing Infrastructure c.f. NSF NMI packaging and testing

19. WP-5: Network Measurement, Management & Control for Grid Environment Traffic measurement on SuperSINET Optimal QoS Routing based on user policies and network measurements Robust TCP/IP Control for Grids Grid CA/User Grid Account Management and Deployment High-speed managed networks Measurement Entity Network Control Entity Grid Network Management Server Network Information DB User Policy Information DB Super-scheduler Grid Application Multi-Points real-time measurement Dynamic bandwidth Control and QoS routing

20. WP-6:Adaptation of Nano-science Applications to Grid Environment Analysis of Typical Nanoscience Applications - Parallel Structure - Granularity - Resource Requirement - Latency Tolerance Coupled Simulation (e.g.,FMO & RISM) Collaboration with IMS SMP SC Cluster (Grid ) RISM FMO Solvent distribution Solute structure In-sphere correlation Mediator RISM: Reference Interaction Site Model FMO: Fragment Molecular Orbital Method

21. Testbed for Prototyping (UNICORE, Condor,Globus) Final System (OGSA Compliant) Development of Operational Environment Grid Middleware Research Integration ・・ ・・ Development Concept

22. Nano-science and Technology Applications Targeted Participating Organizations: -Institute for Molecular Science -Institute for Solid State Physics -AIST -Tohoku University -Kyoto University -Industry (Materials, Nano-scale Devices) -Consortium for Promotion of Grid Applications in Industry Research Topics and Groups: -Electronic Structure -Magnetic Properties -Functional nano-molecules(CNT,Fullerene etc.) -Bio-molecules and Molecular Electronics -Simulation Software Integration Platform -Etc.

23. The NAREGI Phase 1 Testbed ($45mil, 1Q2004) ~3000 Procs, ~17TFlops NII (Tokyo) IMS (Okazaki) Small Test App Clusters (x 6) Small Test App Clusters SuperSINET (10Gbps MPLS) ~400km Center for Grid R&D ~ 5Tflops Software Testbed Computational Nano-science Center ~10TFlops Application Testbed Osaka-U BioGrid U-Tokyo Titech Campus Grid AIST SuperCluster ~11TFlops Note: NOT a production Grid system (c.f. TeraGrid)

24. Computer System for Grid Software Infrastructure R&D (at NII) (5 Tflops, 700GB)

25. Computer System for Grid Software Infrastructure R&D (at IMS) (10 Tflops, 5TB)

26. NII Center for Grid R&D (Jimbo-cho, Tokyo) Imperial Palace Tokyo St. Akihabara Mitsui Office Bldg. 14 th Floor 700m 2 office space (100m 2 machine room)

27. Summary We regard Grid as one of the fundamental technologies of the IT infrastructure in 21 st century In the NAREGI project, seamless federation of heterogeneous resources is the primary objective Computations in Nano-science/technology applications over Grid is to be promoted, including industrial participation. International Co-operation is essential.