Center for Computational Sciences University of Tsukuba 筑波大学計算科学研究センター 1 About Tsukuba City Tsukuba City is about 50 km (31 miles) northeast of Tokyo and 40 km (25 miles) northwest of the New Tokyo International Airport in Narita. The city is home to the country's national research facilities encompassing such research fields as science, industry, agriculture and forestry, environment and space development. It also houses institutions of higher learning including the University of Tsukuba campuses. About 19,000 researchers (40% of the total for the whole country), 5,000 of whom hold doctorate degrees, are working for researches. Tsukuba has a new train that connects Tsukuba to Akihabara (Tokyo) in 45 minutes. The train, called Tsukuba Express, started running on August 24, 2005. 2 University of Tsukuba History: After the relocation of the Tokyo University of Education, the University of Tsukuba celebrates its 30th anniversary in 2003. #faculty 1702 #undergraduates 10382 #graduates 6269 • School of Humanities and Culture • School of Social and International Studies • School of Human Sciences • School of Life and Environmental Sciences • School of Science and Engineering • School of Informatics • School of Medicine and Medical Sciences • School of Health and Physical Education • School of Art and Design • Graduate School of Humanities and Social Sciences • Graduate School of Business Sciences • Graduate School of Pure and Applied Sciences • Graduate School of Systems and Information Engineering • Graduate School of Life and Environmental Sciences • Graduate School of Comprehensive Human Sciences • Graduate School of Library, Information and Media Studies 3 Computational science Large-scale simulations using supercomputers Critical and cutting-edge methodology in all of science and engineering disciplines The third “pillar” in modern science and technology supercomputers climate bio structure CFD Nano materials Particles and universe Simulation Science and technology theory Experiment/ observation Spring-8 Protein analysis Relativity (Einstein) Subaru telescope Meson theory (Yukawa) astronomy Particle accelerators Renormalization theory (Tomonaga) 4 Cillision experiments Development of Massively Parallel Computer Systems in University of Tsukuba 1977 1978 1996 2006 research begins (by Hoshino, Kawai) 1st machine CP-PACS (top of Top500) 7th machine PACS-CS 1980 2nd PAXS-32 1978 1st 1989 5th QCDPAX CP-PACS First large-scale general-purpose MPP system in Japan Development supported by ``Research of Field Physics with Dedicated Parallel Computers‘’ funded by the Ministry of Education of the Japanese Government. ranked as No. 1 system in the November 1996 Top 500 List. PACS-CS Massive Parallel Cluste Collaboration by physicists and computer scientists Collaboration with industry, and released as Hitachi SR2201 (2006) 1996 6th CP-PACS (top of Top500 list in 1996) PACS-9 Progress of Supercomputer TFLOPS GFLOPS year 1978 system PACS-9 1000 =1PFLOPS 6 Performance 10 BlueGene/L 5 7 KFlops 10 4 10 10 1980 PAX-32 500 KFlops CP-PACS PACS-CS 1000 1983 PAX-128 4 MFlops 1984 PAX-32J 3 MFlops 1989 QCDPAX 1.4 GFlops 1996 CP-PACS 614 GFlops 2006 PACS-CS 14340 GFlops 100 Earth Simulator 100 1 0.1 QCD-PAX 10 0.01 1 1PFLOPS =1000TFLOPS =1000兆回/秒 の計算 1 TFLOPS =1兆回/秒の計算 =1000GFLOPS 0.001 CRAY-1 0.1 1975 1980 1985 1990 1995 2000 2005 0.0001 2010 5 CCS, University of Tsukuba Center for Computational Sciences http://www.ccs.tsukuba.ac.jp/ Mission of CCS is to enable scientific discovery by computational science through the application of advanced computing technologies, and support researches of computational science in Japanese universities by running leading-edge advanced computing systems Collaborative researches with Computational Scientists (application) and Computer Scientists (system) Founded on 1992 as CCP (Center for Computational Physics), expanded and reorganized to CCS in 2004 Needs from applications and Seeds from systems More than 30 faculties and PDs, students: Particle Physics and Astrophysics. Material and Life Sciences, Global Environment and Biological Sciences, High Performance Computing System, Data base & Data Mining Major Computing Facilities PACS-CS, 14.3TF, Custom-made 2560 node PC cluster with 3D-hyper crossbar network by GbE. FIRST, 33TF, 256 node hybrid PC cluster with GRAPE accelerators for Astrophysics. T2K Tsukuba Cluster, 95.4 TF, 648 nodes, four quad-core Opetron processor (Appro XtremeServerX3) and 4 DDR inifiniband network for each node 6 Computing resources in CCS PACS-CS (2006~) FIRST (2007~) GRAPE-6 A Special-purpose system to Astrophysics simulation by hybrid computation of radiation and N-body. Each node is equipped by GRAPE-6, which is an accelerator specialized for N-body Gravity calculation. 256 nodes performance: cluster 3.5TFLOPS+Grape-6 35TFLOPS #node 2560 node (Intel Xeon 2.8GHz, single core /node) peak performance 14.34 TF memory 5 TB network 250MB/s/link x 3 (3D-HXB by GbE) core core core core core core core core core core core Designed by T2K Open Supercomputer Alliance (U. Tokyo and Kyoto U) memory core core memory core core memory (2008~) memory T2K-tsukuba core IO interface IO interface Network (DDR Infiniband x 4) Spec; • 648 nodes (quad Opteron, 4sockets/node) • 10000 cores • Peak performance 95.4TF • total memory 20TB • total disk capacity 800TB ( 20th in top 500, June, 2008) Full bi-sectional FAT-tree Network n L3 SWs n : #Node with 4 Links : #24ports IB Switch L2 SWs L1 SWs Nodes Detail View for one network unit # Item 1 2 1 3 2 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 696 144 Level 2 switch 240 Level 1 switch 232 Total switch 616 12 7 1 Node Level 3 switch 12 ※ノード総数696台には オンラインのスペア ノード4台を含みます。 25 26 27 28 29 30 31 32 33 34 35 36 x 20 network units CCS Research divisions and Expertise More than 30 faculties (31) and PostDocs, students Research organization of computational sciences, not supercomputer “service” center 5 Research Division and 11 Groups Computational Science Division of Particle Physics and Astrophysics Computer Science Particle physics – Lattice QCD Astrophysics – Formation of early cosmic objects and galaxies Division of Material and Life Sciences Material science – nano-science, DFT Life sciences – Molecular dynamics, CPMD Quantum Many-Body Systems Division of High Performance Computing Systems Division of Computational Informatics Division of Global Environment and Biological Sciences Global environment – Meteological science, global climate simulation Biological science – molecular phylogenetic analyses System architecture Grid computing Computational Intelligence Data Mining & Knowledge Discovery, Large scale database Computational Media Visualization, Computer graphics 8 Organization of Education and Research for Computational Science in University of Tsukuba CCS integrates the development of supercomputing facilities and several researches of computational science. CCS carries out researches in major computational science fields. The faculty members of CCS “belong” to a Graduate School for education, and “work” for the Center for research. Founded in 1996, re-organized in 2004 Center for Computational Sciences Division of Particle Physics and Astrophysics Division of Materials and Life Sciences Division of Global Environmental and Biological Sciences Division of High Performance Computing Systems Faculty Professor Associate Prof. Assistant Prof. 31 11 12 8 Graduate School of Pure and Applied Sciences • Dept. of Physics • Dept. of Frontier Science • Dept. of Materials Science Graduate School of Life and Environmental Sciences • Dept. of Geoenvironmental Sciences • Dept. of Structural Biosciences Graduate School of Systems and Information Engineering Division of Computational Informatics • Dept. of Computer Science • Dept. of Intelligent Interaction Technologies 9 Position and Role of CCS From the nation-wide viewpoint of development of scientific research An unique research “inter-university” organization which jointly carry out “interdisciplinary” researches on computational sciences, even including development of the leading-edge high performance computer systems Computational Science in each discipline is done by university lab and institutes specific to its discipline. National Institute of Informatics (NII) focuses on Information Science, neither computational science nor development of high performance computer system. Supercomputer Centers in major university focus on just operation and service on computing facilities, and not researches on computational science. From the viewpoint of development of scientific research within our university The faculty of CCS belongs to graduate schools and contribute to the education of computational science Our university supports CCS as one of the most important research organizations with respect of budgets, faculty position and facilities. “Academic Computing and Communications Center” (campus computer center) manages campus information infrastructures such computer systems and network systems in the university. 10 PACS-CS System (2560 nodes) ・・・ Computation node (CPU) Route through a single dimension of switch ・・・ ・・・ ・・・ Y=16 ・・・ ・・・ ・・・ ・・・ ・・・ ・・・ Z=10 X-dim switch Y-dim switch Z-dim switch Route through multiple dimensions of switch (intermediate CPU is required) ・・・ ・・・ in the figure real connection (dual link trunking) X=16 # of nodes 2560 (16 x 16 x 10) peak performance 14.3 Tflops node configuration single CPU / node CPU Intel LV Xeon EM64T, 2.8GHz, 1MB L2 cache memory 2GB/node (5.12 TB/system), DDR2 interleaved network for parallel processing 3-dimensional Hyper-Crossbar Network link bandwidth one-sided: 250MB/s/dim. one-sided: 750MB/s (3-D simultaneous trans.) local HDD 160 GB/node(RAID-1) total system size 59 rack power consumption 550 kW 11 Scientific results by using PACS-CS Electric Field [eV/nm] 100 照射レーザー電場 物質内電場 50 0 -50 Simulation for electron dynamics which originates from nonlinear interaction between the laser and matter in a femto-second. Energy [eV/atom] -100 5 4 3 2 0 laser レーザー光から電子への エネルギー移行 1 0 results for the hadron spectrum by the “complete QCD” (2+1 flavor QCD), 10 20 30 40 matter Time [fs] -> QCD at physical point Simulation by WRF (local regional model) “hottest day in Aug 16th 2007 -> Real-time Local Weather Forecast DFT (Density Function Theory) computation for large Si cluster (4000 atom) -> DFT computation for 10,000 atom 12 T2K Tsukuba System 648 nodes Peak performance : 95.4TF (95.4 trillion 1012 operations/sec) Memory 20TB Disk 800TB Linpack Result: Rpeak = 92.0TF (625 nodes) Rmax = 76.5TF (83.15 %) 20th position in 2008 Jun Top500 (T2K: Tsukuba, Tokyo and Kyoto Open Supercomputer Alliance) Full bi-sectional FAT-tree Network n L3 SWs n : #Node with 4 Links : #24ports IB Switch L2 SWs core core core core core core core memory memory core L1 SWs Nodes Detail View for one network unit # Item 1 core core core core core core core 1 IO interface 3 4 5 6 7 8 9 10 11 2 3 4 5 6 7 8 9 10 11 696 Level 3 switch 144 Level 2 switch 240 Level 1 switch 232 Total switch 616 12 ※ノード総数696台には オンラインのスペア ノード4台を含みます。 IO interface 1 Network (DDR Infiniband x 4) Node 12 memory memory core 2 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 13 x 20 network units T2K Open Supercomputer Alliance Primary aiming at design of common specification of new supercomputers. Now extending to collaborative work on research, education, grid operation, ..., for inter-disciplinary computational (& computer) science. Kyoto Univ. 416 nodes (61.2TF) / 13TB Linpack Result: Rpeak = 61.2TF (416 nodes) Rmax = 50.5TF (82.51 %) Open hardware architecture with commodity devices & technologies. Open software stack with opensource middleware & tools. Open to user’s needs not only in FP & HPC field but also IT field. Univ. Tokyo Univ. Tsukuba 952 nodes (140.1TF) / 31TB 648 nodes (95.4TF) / 20TB Linpack Result: Linpack Result: Rpeak= 113.1TF (512+256 nodes) Rpeak= 92.0TF (625 nodes) Rmax = 83.0TF (73.38 %) Rmax = 76.5TF (83.15 %) 14 Scientific results from T2K global climate simulation code NICAM Collision of the Andromeda Galaxy) observation "tears" of Andromeda Galaxy 2000M years ago 1000M years ago present day 15 CCS Inter-University Activity: Interdisciplinary Computational Science Promotion Programs Interdisciplinary collaboration program Support to establish a network of interdisciplinary research projects and to encourage grand challenges of interdisciplinary computational science. To promote interdisciplinary research projects of different disciplines. Between Computer science and application fields (e.g. Applied Math and Particle Physics) Between different application fields(e.g. Modeling of radiation in Astrophysics and Climate simulation) Field A Group X Proposal request coordinate Field C・ Field D Alliance ZW proposal Proposal request support Interdisciplinary collaboration program support committee ( review of proposal and coordinate collaboration) Establish a network to promote interdisciplinary research projects Matchmaking of research groups from different fields Review of Proposals by external reviewer of Interdisciplinary collaboration coordination committee Coordinate research groups from different fields Find partners to mach the request Advice with expertise of different fields Field B Group Y Follow up the research activity produced by the interdisciplinary collaboration Field C Group Z Field A Group X CCS Field B Group Y Field D Group W Large-scale scientific simulation program Push forward the grand challenge of several fields in computational sciences by providing the computational power of the PACS-CS. Review proposals and concentrate our computational power to make new scientific discoveries Follow up the scientific results 16 Educational Activities in CCS HPC Seminar This seminar presents knowledge, methods and techniques for programming modern high performance computer systems, including recent microprocessors, and its performance turning, parallel programming. Participants: researchers and users of computational science (including researchers in companies) Periods: 2 or 3 days in summer season Held since July 2007 Also broadcasted via internet Campus-wide courses on “computational sciences” for graduate students Faculty members of CCS give lectures Accredited as “unit” in graduate courses. Courses Computational Science Dual Degree (double major) Program Computational Science Literacy High Performance Parallel Computing Technology for Computational Sciences (overlapped with HPC Seminar) Started from 2008 Enables a graduate student in a doctoral program to simultaneously belong to a masters program of a different Graduate School, and receive both a doctoral degree in science and a masters degree in computer science, or vice versa, upon graduation. Design of curriculum and courses for advanced computational science Educate researchers who can push forward new Interdisciplinary computational science from global viewpoints Started in 2009 (Physics in Doctor course and Computer sciences in Master course) Education in each graduate school CCS allocates space for some of students, and create environment to enable interactions to other fields. 17 Contributions for National Petascale computing As a leading research organization, it is very important issue for us to take a leadership concerning to building/operation of the petascale system in national-wide computing infrastructure. “Element technology for next-generation supercomputer” Project (2003-2005) Collaboration with Hitachi Ltd. on low-power on-chip memory architecture for next-generation systems Collaboration with RIKEN on the petaflops system development Formal agreement between U. Tsukuba and RIKEN signed in September 2006 Participation of several CCS faculty in the system design as a concurrent researchers Agreement of actual collaboration in tuning of representative petascale applications (QCD, RS-DFT and FFT) 18 CCS’s Vision: COE of “Interdisciplinary Computational Science” Computational Science is a cutting-edge and indispensable multidisciplinary area for the development of science and technology of the 21st century. Computational Science as the key to meet the grand challenges in nature and human, environments. Integration of science and computer/information science to realize the computational science. Education System to produce the next generation of scientists who carry out research from global perspectives. Existing “computational science” • Computational X as a part of X science • Short-term individual projects • Make use of “supercomputer” center New Interdisciplinary Computational Science • Integration and collaboration of computational science and computer science • High performance computing system will be getting bigger and more complex in configuration. HPC technologies are indispensable to make the best use of it • Continuous development and investment are required to enable the next generation of computational science. • The common base of computational science brings mutual intimate connections among various scientific science disciplines and allows us to approach science as a whole from a global perspective. We aim to be an world-wide COE to develop “Interdisciplinary Computational Science” as a new area to 21st century advances in science and technology, and support it continuously from global and long-term perspectives. 19 Updates of CCS in 2010 Re-organization for the period 2010-2016 CCS was recognized as a national core-center for the collaborative research on the Interdisciplinary Computational Science from 2010 Advanced Interdisciplinary Computational Science Collaboration Initiative(AISCI) CCS was selected as a core organization of NGS (Japanese petaflops computer) for "Field 5: The origin of matters and the universe" • Division of Particle Physics and Astrophysics • Division of Material and Life Sciences • Division of Global Environment and Biological Sciences • Division of High Performance Computing Systems • Division of Computational Informatics • Division of Particle Physics • Division of Astrophysics and Nuclear Physics • Division of Material • Division Life Sciences • Division of Global Environment • Division of High Performance Computing Systems • Division of Computational Informatics 20 Updates of CCS in 2010 Upcoming international events ACM ICS (international Conference on Supercomputing) in Tsukuba, June 2010 IWOMP 2010 (International Workshop on OpenMP) in Tsukuba, June 2010 ICCS 2011 (International Conference on Computational Science) in Tsukuba, June 2011 21 International collaborations International Lattice Data Grid in particle physics (Edinburgh University (UK), DESY(Germany), Univ. di Roma(Italy), FNAL/BNL/JLAB(USA)) Astronomical Radiation Hydrodynamics Research (National Astronomical Observatory(Japan), SISSA(Italy)) Nano-Bio Science Collaboration (ETH(Switzerland), Princeton University/Vanderbilt University(USA), Advanced Institute for Science and Technology(AIST), National Institute for Materials Science (NIMS)), Quantum Structural Biological Science Collaboration (AIST, Hyogo Prefectural University(Japan), ETH/IBM Zurich(Switzerland) Quantum Dynamics Collaboration (RIKEN(Japan), Washington University (USA)) Warming of Arctic Research (IARC of Alaska University/Hawai University(USA), Pusan University(Korea), Academia Sinica(China)) France-Japan Grid Computing (National Institute of Informatics(Japan), INRIA(France), Pennsylvania State University(USA)) Information integration/Knowledge discovery Research (Carnegie-Mellon University/Georgia Institute of Technology(USA), Hong-Kong Chubun University). 22 Organization for Inter-university Facilities Operation Researchers in University and Institute Proposal Acceptance Inter-university activity committee Director Operation of inter-university facilities Execute Interdisciplinary Computational Science Promotion Programs Computing facility administration committee Inter-university research review committee Allocate resources Review of proposal (including external reviewer) Interdisciplinary collaboration program support committee Inter-university activity support team Support staff from company Steering committee Steering council In order to execute “Interdisciplinary Computational Science Promotion Programs”, we organize Inter-university research review committee, including external members, to evaluate the proposal. We also organize “Interdisciplinary collaboration program support committee” to review the proposals and coordinate collaborations between different fields. We report the policy, results and status of inter-university activities in Steering council held annually. 23