Trends in Globalization Around Supercomputers
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Materials Modelling and the Challenges of Petascale and Exascale
Multiscale Materials Modelling on High Performance Computer Architectures Materials modelling and the challenges of petascale and exascale Andrew Emerson Cineca Supercomputing Centre, Bologna, Italy The project MMM@HPC is funded by the 7th Framework Programme of the European Commission within the Research Infrastructures 26/09/2013 with grant agreement number RI-261594. Contents Introduction to HPC HPC and the MMM@HPC project Petascale computing The Road to Exascale Observations 26/09/2013 A. Emerson, International Forum on Multiscale Materials Modelling, Bologna 2013 2 High Performance Computing High Performance Computing (HPC). What is it ? High-performance computing (HPC) is the use of parallel processing for running advanced application programs efficiently, reliably and quickly. The term applies especially to systems that function above a teraflop or 10 12 floating- point operations per second. (http://searchenterpriselinux.techtarget.com/definition/high -performance -computing ) A branch of computer science that concentrates on developing supercomputers and software to run on supercomputers. A main area of this discipline is developing parallel processing algorithms and software: programs that can be divided into little pieces so that each piece can be executed simultaneously by separate processors. (WEBOPEDIA ) 26/09/2013 A. Emerson, International Forum on Multiscale Materials Modelling, Bologna 2013 3 High Performance Computing Advances due to HPC, e.g. Molecular dynamics early 1990s . Lysozyme, 40k atoms 2006. Satellite tobacco mosaic virus (STMV). 1M atoms, 50ns 2008. Ribosome. 3.2M atoms, 230ns. 2011 . Chromatophore, 100M atoms (SC 2011) 26/09/2013 A. Emerson, International Forum on Multiscale Materials Modelling, Bologna 2013 4 High Performance Computing Cray-1 Supercomputer (1976) 80MHz , Vector processor → 250Mflops Cray XMP (1982) 2 CPUs+vectors, 400 MFlops “FERMI”, Bluegene/Q 168,000 cores 2.1 Pflops 26/09/2013 A. -
Lessons Learned in Deploying the World's Largest Scale Lustre File
Lessons Learned in Deploying the World’s Largest Scale Lustre File System Galen M. Shipman, David A. Dillow, Sarp Oral, Feiyi Wang, Douglas Fuller, Jason Hill, Zhe Zhang Oak Ridge Leadership Computing Facility, Oak Ridge National Laboratory Oak Ridge, TN 37831, USA fgshipman,dillowda,oralhs,fwang2,fullerdj,hilljj,[email protected] Abstract 1 Introduction The Spider system at the Oak Ridge National Labo- The Oak Ridge Leadership Computing Facility ratory’s Leadership Computing Facility (OLCF) is the (OLCF) at Oak Ridge National Laboratory (ORNL) world’s largest scale Lustre parallel file system. Envi- hosts the world’s most powerful supercomputer, sioned as a shared parallel file system capable of de- Jaguar [2, 14, 7], a 2.332 Petaflop/s Cray XT5 [5]. livering both the bandwidth and capacity requirements OLCF also hosts an array of other computational re- of the OLCF’s diverse computational environment, the sources such as a 263 Teraflop/s Cray XT4 [1], visual- project had a number of ambitious goals. To support the ization, and application development platforms. Each of workloads of the OLCF’s diverse computational plat- these systems requires a reliable, high-performance and forms, the aggregate performance and storage capacity scalable file system for data storage. of Spider exceed that of our previously deployed systems Parallel file systems on leadership-class systems have by a factor of 6x - 240 GB/sec, and 17x - 10 Petabytes, traditionally been tightly coupled to single simulation respectively. Furthermore, Spider supports over 26,000 platforms. This approach had resulted in the deploy- clients concurrently accessing the file system, which ex- ment of a dedicated file system for each computational ceeds our previously deployed systems by nearly 4x. -
Titan: a New Leadership Computer for Science
Titan: A New Leadership Computer for Science Presented to: DOE Advanced Scientific Computing Advisory Committee November 1, 2011 Arthur S. Bland OLCF Project Director Office of Science Statement of Mission Need • Increase the computational resources of the Leadership Computing Facilities by 20-40 petaflops • INCITE program is oversubscribed • Programmatic requirements for leadership computing continue to grow • Needed to avoid an unacceptable gap between the needs of the science programs and the available resources • Approved: Raymond Orbach January 9, 2009 • The OLCF-3 project comes out of this requirement 2 ASCAC – Nov. 1, 2011 Arthur Bland INCITE is 2.5 to 3.5 times oversubscribed 2007 2008 2009 2010 2011 2012 3 ASCAC – Nov. 1, 2011 Arthur Bland What is OLCF-3 • The next phase of the Leadership Computing Facility program at ORNL • An upgrade of Jaguar from 2.3 Petaflops (peak) today to between 10 and 20 PF by the end of 2012 with operations in 2013 • Built with Cray’s newest XK6 compute blades • When completed, the new system will be called Titan 4 ASCAC – Nov. 1, 2011 Arthur Bland Cray XK6 Compute Node XK6 Compute Node Characteristics AMD Opteron 6200 “Interlagos” 16 core processor @ 2.2GHz Tesla M2090 “Fermi” @ 665 GF with 6GB GDDR5 memory Host Memory 32GB 1600 MHz DDR3 Gemini High Speed Interconnect Upgradeable to NVIDIA’s next generation “Kepler” processor in 2012 Four compute nodes per XK6 blade. 24 blades per rack 5 ASCAC – Nov. 1, 2011 Arthur Bland ORNL’s “Titan” System • Upgrade of existing Jaguar Cray XT5 • Cray Linux Environment -
Musings RIK FARROWOPINION
Musings RIK FARROWOPINION Rik is the editor of ;login:. While preparing this issue of ;login:, I found myself falling down a rabbit hole, like [email protected] Alice in Wonderland . And when I hit bottom, all I could do was look around and puzzle about what I discovered there . My adventures started with a casual com- ment, made by an ex-Cray Research employee, about the design of current super- computers . He told me that today’s supercomputers cannot perform some of the tasks that they are designed for, and used weather forecasting as his example . I was stunned . Could this be true? Or was I just being dragged down some fictional rabbit hole? I decided to learn more about supercomputer history . Supercomputers It is humbling to learn about the early history of computer design . Things we take for granted, such as pipelining instructions and vector processing, were impor- tant inventions in the 1970s . The first supercomputers were built from discrete components—that is, transistors soldered to circuit boards—and had clock speeds in the tens of nanoseconds . To put that in real terms, the Control Data Corpora- tion’s (CDC) 7600 had a clock cycle of 27 .5 ns, or in today’s terms, 36 4. MHz . This was CDC’s second supercomputer (the 6600 was first), but included instruction pipelining, an invention of Seymour Cray . The CDC 7600 peaked at 36 MFLOPS, but generally got 10 MFLOPS with carefully tuned code . The other cool thing about the CDC 7600 was that it broke down at least once a day . -
Recent Developments in Supercomputing
John von Neumann Institute for Computing Recent Developments in Supercomputing Th. Lippert published in NIC Symposium 2008, G. M¨unster, D. Wolf, M. Kremer (Editors), John von Neumann Institute for Computing, J¨ulich, NIC Series, Vol. 39, ISBN 978-3-9810843-5-1, pp. 1-8, 2008. c 2008 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentioned above. http://www.fz-juelich.de/nic-series/volume39 Recent Developments in Supercomputing Thomas Lippert J¨ulich Supercomputing Centre, Forschungszentrum J¨ulich 52425 J¨ulich, Germany E-mail: [email protected] Status and recent developments in the field of supercomputing on the European and German level as well as at the Forschungszentrum J¨ulich are presented. Encouraged by the ESFRI committee, the European PRACE Initiative is going to create a world-leading European tier-0 supercomputer infrastructure. In Germany, the BMBF formed the Gauss Centre for Supercom- puting, the largest national association for supercomputing in Europe. The Gauss Centre is the German partner in PRACE. With its new Blue Gene/P system, the J¨ulich supercomputing centre has realized its vision of a dual system complex and is heading for Petaflop/s already in 2009. In the framework of the JuRoPA-Project, in cooperation with German and European industrial partners, the JSC will build a next generation general purpose system with very good price-performance ratio and energy efficiency. -
Germany's Top500 Businesses
GERMANY’S TOP500 DIGITAL BUSINESS MODELS IN SEARCH OF BUSINESS CONTENTS FOREWORD 3 INSIGHT 1 4 SLOW GROWTH RATES YET HIGH SALES INSIGHT 2 6 NOT ENOUGH REVENUE IS ATTRIBUTABLE TO DIGITIZATION INSIGHT 3 10 EU REGULATIONS ARE WEAKENING INNOVATION INSIGHT 4 12 THE GERMAN FEDERAL GOVERNMENT COULD TURN INTO AN INNOVATION DRIVER CONCLUSION 14 FOREWORD Large German companies are on the lookout. Their purpose: To find new growth prospects. While revenue increases of more than 5 percent on average have not been uncommon for Germany’s 500 largest companies in the past, that level of growth has not occurred for the last four years. The reasons are obvious. With their high export rates, This study is intended to examine critically the Germany’s industrial companies continue to be major opportunities arising at the beginning of a new era of players in the global market. Their exports have, in fact, technology. Accenture uses four insights to not only been so high in the past that it is now increasingly describe the progress that has been made in digital difficult to sustain their previous rates of growth. markets, but also suggests possible steps companies can take to overcome weak growth. Accenture regularly examines Germany’s largest companies on the basis of their ranking in “Germany’s Top500,” a list published every year in the German The four insights in detail: daily newspaper DIE WELT. These 500 most successful German companies generate revenue of more than INSIGHT 1 one billion Euros. In previous years, they were the Despite high levels of sales, growth among Germany’s engines of the German economy. -
Jaguar Supercomputer
Jaguar Supercomputer Jake Baskin '10, Jānis Lībeks '10 Jan 27, 2010 What is it? Currently the fastest supercomputer in the world, at up to 2.33 PFLOPS, located at Oak Ridge National Laboratory (ORNL). Leader in "petascale scientific supercomputing". Uses Massively parallel simulations. Modeling: Climate Supernovas Volcanoes Cellulose http://www.nccs.gov/wp- content/themes/nightfall/img/jaguarXT5/gallery/jaguar-1.jpg Overview Processor Specifics Network Architecture Programming Models NCCS networking Spider file system Scalability The guts 84 XT4 and 200 XT5 cabinets XT5 18688 compute nodes 256 service and i/o nodes XT4 7832 compute nodes 116 service and i/o nodes (XT5) Compute Nodes 2 Opteron 2435 Istanbul (6 core) processors per node 64K L1 instruction cache 65K L1 data cache per core 512KB L2 cache per core 6MB L3 cache per processor (shared) 8GB of DDR2-800 RAM directly attached to each processor by integrated memory controller. http://www.cray.com/Assets/PDF/products/xt/CrayXT5Brochure.pdf How are they organized? 3-D Torus topology XT5 and XT4 segments are connected by an InfiniBand DDR network 889 GB/sec bisectional bandwidth http://www.cray.com/Assets/PDF/products/xt/CrayXT5Brochure.pdf Programming Models Jaguar supports these programming models: MPI (Message Passing Interface) OpenMP (Open Multi Processing) SHMEM (SHared MEMory access library) PGAS (Partitioned global address space) NCCS networking Jaguar usually performs computations on large datasets. These datasets have to be transferred to ORNL. Jaguar is connected to ESnet (Energy Sciences Network, scientific institutions) and Internet2 (higher education institutions). ORNL owns its own optical network that allows 10Gb/s to various locations around the US. -
Nascent Exascale Supercomputers Offer Promise, Present Challenges CORE CONCEPTS Adam Mann, Science Writer
CORE CONCEPTS Nascent exascale supercomputers offer promise, present challenges CORE CONCEPTS Adam Mann, Science Writer Sometime next year, managers at the US Department Laboratory in NM. “We have to change our computing of Energy’s (DOE) Argonne National Laboratory in paradigms, how we write our programs, and how we Lemont, IL, will power up a calculating machine the arrange computation and data management.” size of 10 tennis courts and vault the country into That’s because supercomputers are complex a new age of computing. The $500-million main- beasts, consisting of cabinets containing hundreds of frame, called Aurora, could become the world’sfirst thousands of processors. For these processors to oper- “exascale” supercomputer, running an astounding ate as a single entity, a supercomputer needs to pass 1018, or 1 quintillion, operations per second. data back and forth between its various parts, running Aurora is expected to have more than twice the huge numbers of computations at the same time, all peak performance of the current supercomputer record while minimizing power consumption. Writing pro- holder, a machine named Fugaku at the RIKEN Center grams for such parallel computing is not easy, and the- for Computational Science in Kobe, Japan. Fugaku and orists will need to leverage new tools such as machine its calculation kin serve a vital function in modern learning and artificial intelligence to make scientific scientific advancement, performing simulations crucial breakthroughs. Given these challenges, researchers for discoveries in a wide range of fields. But the transition have been planning for exascale computing for more to exascale will not be easy. -
Arxiv:2109.00082V1 [Cs.DC] 31 Aug 2021 Threshold of Exascale Computing
Plan-based Job Scheduling for Supercomputers with Shared Burst Buffers Jan Kopanski and Krzysztof Rzadca Institute of Informatics, University of Warsaw Stefana Banacha 2, 02-097 Warsaw, Poland [email protected] [email protected] Preprint of the pa- Abstract. The ever-increasing gap between compute and I/O perfor- per accepted at the mance in HPC platforms, together with the development of novel NVMe 27th International storage devices (NVRAM), led to the emergence of the burst buffer European Conference concept—an intermediate persistent storage layer logically positioned on Parallel and Dis- between random-access main memory and a parallel file system. De- tributed Computing spite the development of real-world architectures as well as research (Euro-Par 2021), Lis- concepts, resource and job management systems, such as Slurm, provide bon, Portugal, 2021, only marginal support for scheduling jobs with burst buffer requirements, DOI: 10.1007/978-3- in particular ignoring burst buffers when backfilling. We investigate the 030-85665-6_8 impact of burst buffer reservations on the overall efficiency of online job scheduling for common algorithms: First-Come-First-Served (FCFS) and Shortest-Job-First (SJF) EASY-backfilling. We evaluate the algorithms in a detailed simulation with I/O side effects. Our results indicate that the lack of burst buffer reservations in backfilling may significantly deteriorate scheduling. We also show that these algorithms can be easily extended to support burst buffers. Finally, we propose a burst-buffer–aware plan-based scheduling algorithm with simulated annealing optimisation, which im- proves the mean waiting time by over 20% and mean bounded slowdown by 27% compared to the burst-buffer–aware SJF-EASY-backfilling. -
Presentación De Powerpoint
Towards Exaflop Supercomputers Prof. Mateo Valero Director of BSC, Barcelona National U. of Defense Technology (NUDT) Tianhe-1A • Hybrid architecture: • Main node: • Two Intel Xeon X5670 2.93 GHz 6-core Westmere, 12 MB cache • One Nvidia Tesla M2050 448-ALU (16 SIMD units) 1150 MHz Fermi GPU: • 32 GB memory per node • 2048 Galaxy "FT-1000" 1 GHz 8-core processors • Number of nodes and cores: • 7168 main nodes * (2 sockets * 6 CPU cores + 14 SIMD units) = 186368 cores (not including 16384 Galaxy cores) • Peak performance (DP): • 7168 nodes * (11.72 GFLOPS per core * 6 CPU cores * 2 sockets + 36.8 GFLOPS per SIMD unit * 14 SIMD units per GPU) = 4701.61 TFLOPS • Linpack performance: 2.507 PF 53% efficiency • Power consumption 4.04 MWatt Source http://blog.zorinaq.com/?e=36 Cartagena, Colombia, May 18-20 Top10 Rank Site Computer Procs Rmax Rpeak 1 Tianjin, China XeonX5670+NVIDIA 186368 2566000 4701000 2 Oak Ridge Nat. Lab. Cray XT5,6 cores 224162 1759000 2331000 3 Shenzhen, China XeonX5670+NVIDIA 120640 1271000 2984300 4 GSIC Center, Tokyo XeonX5670+NVIDIA 73278 1192000 2287630 5 DOE/SC/LBNL/NERSC Cray XE6 12 cores 153408 1054000 1288630 Commissariat a l'Energie Bull bullx super-node 6 138368 1050000 1254550 Atomique (CEA) S6010/S6030 QS22/LS21 Cluster, 7 DOE/NNSA/LANL PowerXCell 8i / Opteron 122400 1042000 1375780 Infiniband National Institute for 8 Computational Cray XT5-HE 6 cores 98928 831700 1028850 Sciences/University of Tennessee 9 Forschungszentrum Juelich (FZJ) Blue Gene/P Solution 294912 825500 825500 10 DOE/NNSA/LANL/SNL Cray XE6 8-core 107152 816600 1028660 Cartagena, Colombia, May 18-20 Looking at the Gordon Bell Prize • 1 GFlop/s; 1988; Cray Y-MP; 8 Processors • Static finite element analysis • 1 TFlop/s; 1998; Cray T3E; 1024 Processors • Modeling of metallic magnet atoms, using a variation of the locally self-consistent multiple scattering method. -
Financing the Future of Supercomputing: How to Increase
INNOVATION FINANCE ADVISORY STUDIES Financing the future of supercomputing How to increase investments in high performance computing in Europe years Financing the future of supercomputing How to increase investment in high performance computing in Europe Prepared for: DG Research and Innovation and DG Connect European Commission By: Innovation Finance Advisory European Investment Bank Advisory Services Authors: Björn-Sören Gigler, Alberto Casorati and Arnold Verbeek Supervisor: Shiva Dustdar Contact: [email protected] Consultancy support: Roland Berger and Fraunhofer SCAI © European Investment Bank, 2018. All rights reserved. All questions on rights and licensing should be addressed to [email protected] Financing the future of supercomputing Foreword “Disruptive technologies are key enablers for economic growth and competitiveness” The Digital Economy is developing rapidly worldwide. It is the single most important driver of innovation, competitiveness and growth. Digital innovations such as supercomputing are an essential driver of innovation and spur the adoption of digital innovations across multiple industries and small and medium-sized enterprises, fostering economic growth and competitiveness. Applying the power of supercomputing combined with Artificial Intelligence and the use of Big Data provide unprecedented opportunities for transforming businesses, public services and societies. High Performance Computers (HPC), also known as supercomputers, are making a difference in the everyday life of citizens by helping to address the critical societal challenges of our times, such as public health, climate change and natural disasters. For instance, the use of supercomputers can help researchers and entrepreneurs to solve complex issues, such as developing new treatments based on personalised medicine, or better predicting and managing the effects of natural disasters through the use of advanced computer simulations. -
Efficient Object Storage Journaling in a Distributed Parallel File System Presented by Sarp Oral
Efficient Object Storage Journaling in a Distributed Parallel File System Presented by Sarp Oral Sarp Oral, Feiyi Wang, David Dillow, Galen Shipman, Ross Miller, and Oleg Drokin FAST’10, Feb 25, 2010 A Demanding Computational Environment Jaguar XT5 18,688 224,256 300+ TB 2.3 PFlops Nodes Cores memory Jaguar XT4 7,832 31,328 63 TB 263 TFlops Nodes Cores memory Frost (SGI Ice) 128 Node institutional cluster Smoky 80 Node software development cluster Lens 30 Node visualization and analysis cluster 2 FAST’10, Feb 25, 2010 Spider Fastest Lustre file system in the world Demonstrated bandwidth of 240 GB/s on the center wide file system Largest scale Lustre file system in the world Demonstrated stability and concurrent mounts on major OLCF systems • Jaguar XT5 • Jaguar XT4 • Opteron Dev Cluster (Smoky) • Visualization Cluster (Lens) Over 26,000 clients mounting the file system and performing I/O General availability on Jaguar XT5, Lens, Smoky, and GridFTP servers Cutting edge resiliency at scale Demonstrated resiliency features on Jaguar XT5 • DM Multipath • Lustre Router failover 3 FAST’10, Feb 25, 2010 Designed to Support Peak Performance 100.00 ReadBW GB/s WriteBW GB/s 90.00 80.00 70.00 60.00 50.00 Bandwidth GB/s 40.00 30.00 20.00 10.00 0.00 1/1/10 0:00 1/6/10 0:00 1/11/10 0:00 1/16/10 0:00 1/21/10 0:00 1/26/10 0:00 1/31/10 0:00 Timeline (January 2010) Max data rates (hourly) on ½ of available storage controllers 4 FAST’10, Feb 25, 2010 Motivations for a Center Wide File System • Building dedicated file systems for platforms does not scale