Impact from Industrial use of HPC HPC User Forum #59 Munich, Germany October 2015

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1 Impact from Industrial use of HPC HPC User Forum #59 Munich, Germany October 2015 Merle Giles Director, Private Sector Program and Economic Impact

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3 HPC is a gauge of relative technological prowess of nations Sustain & enhance scientific, technological, & economic leadership Achieve exascale by 2025 Develop semiconductors for HPC beyond limits of Moore s Law Foster public-private collaboration Draw on expertise of all government departments and agencies Comprehensively develop HW, SW, tools, applications, operations

4 1. Exascale for a range of applications 2. Coherence between Modeling/Simulation & Data Analytics 3. Establish path beyond limits of current semiconductor technology 4. Holistically address workflow, networking, algorithms, SW, access 5. Develop public-private collaboration to ensure benefits of R&D advancements are shared between USG, industry, academia

5 Application Performance 15,000 cores (LS-DYNA explicit) 100,000 cores (Barcelona Alya) 102,000 cores (Star-CCM+) 129,000 cores (ANSYS Fluent) CPU+GPU (Abaqus) National Center for Supercomputing Applications

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7 Manufacturing a classical HPC use case

8 Manufacturing: Discovery Alone is Not Sufficient FIDELITY today TIME Industrial Design Cycle tomorrow s HPC Challenge COMPLEXITY

9 BioTech

10 Biomedical Discovery: Klaus Schulten Atomic detail matters 1 billion atoms today Tomorrow Live Human Cell Analysis 1 trillion atoms with more complexity Impact Antibiotics Viral infections Biofuels

11 Alzheimer s Study Rationale Alzheimer s is influenced by multiple genetic factors Prior GWAS identified variants but did not explain all risk Single phenotype approach is too simplistic Study of interaction effects needed to uncover additional genetic factors GOAL: identify pairs of variants that influence brain gene expression: epistasis

12 Big Data and Big Compute Problem 50,011,495,056 pairs of variants Each variant pair is tested against 181 subjects and 24,544 genic regions Computationally large problem, PLINK : ~2 years at Mayo FastEpistasis : ~6 hours on BlueWaters Can be a big data problem: 500 PB if keep all results 4 TB when using a conservative cutoff (needed 1000 nodes to determine)

13 Research Develop, Demonstrate, Deploy Productize Theoretical & Basic Research Prototyping & Development Optimization & Robustification Production & Commercialization High need to mitigate risk and lower uncertainty

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15 Governments Universities NCSA s PSP helps bridge the GAP Banks Venture Capital Theoretical & Basic Research Prototyping & Development Optimization & Robustification Production & Commercialization Funding GAP Need funding paths between research & commercialization

16 How to Move Beyond Demonstration Discovery work on Blue Waters through Petascale Computing Research Application Proprietary production work on Blue Waters and iforge NSF PRAC, DOE INCITE, PRACE Building strategy for new category of use. GE Rick Arthur s description: 1. Ideation and Discovery 2. Feasibility Study 3. Reduction to Practice Minimum relevant scale needed for full discovery and impact Software sustainability practices - NITRD meeting next week

17 Barriers to Achieving Impact Uncertainty fosters a non-starter attitude Amazon cannot do advanced CAE Maximum allowable use for industry 5-10% on government machines Access model based on academic allocation metrics Total cost with licensing not well understood nor documented FLOPS approach alone doesn t solve workflow problem Data locality lack of combined compute/data ecosystems Vendor collaboration on exotic machines fails to trickle down

18 NCSA Program Update Blue Waters in Year 2+; Internal bandwidth 1.5 TBs to/from data storage External bandwidth 440 GBs to Internet 2 exchange in Chicago iforge - (Intel Westmere, Sandy Bridge, Ivy Bridge, Haswell, Broadwell 2016) iforge new file system Q4: SFA-14k at 60 GBs upgrade from 4-7 GBs Nation s largest Cyber GIS system Strategic licensing success with ISVs Partnerships with ISVs to increase performance Barriers: access and methodologies

19 Blue Waters Node Type Cray XE6 Cray XK7 CPU 2 x AMD Interlagos Opteron x AMD Interlagos Opteron 6276 GPU NA 1 x Nvidia Kepler Tesla K20x Total Nodes 22,640 4,224 Total x86 Cores 362,240 33,792 Cores/Node 16 FP x86 cores 8 FP x86 Cores, 2688 CUDA cores Memory/Node 64 GB, 1.6 GHz 32 GB, 1.6 GHz $$/Node Hour Storage Interconnect $ (or $0.0388/Core Hour) 26.4 petabytes (disk), 380 petabytes (nearline) Cray Gemini 3D Torus OS Cray Linux 6 National Center for Supercomputing Applications

20 Blue Waters Sustained Petascale Computing

21 26.4PB Spinning Disk; 380PB Tape Capacity 1.5 TB/sec transfer speed to compute nodes

22 iforge (On-Demand) CPU Intel Haswell" Xeon E v3 12-core CPU, 2.9 GHz Intel "Ivy Bridge" Xeon E v2 10-core CPU, 3.1 GHz AMD Abu Dhabi Opteron core CPU, 3.4 GHz Intel Ivy Bridge Xeon E v2 15-core CPU, 1.8 GHz Total Nodes Total x86 Cores 1,920 1, Cores/Node Memory/Node 64 GB, 2.13 GHz 256 GB, 1.86 GHz 256 GB, 1.6 GHz up to 1.5 TB, 1.6 GHz Storage IBM GPFS, 700 TB (current), 5+ PB (Fall 2015) Interconnect 40 Gb/sec QDR InfiniBand (current), 100 GB/sec interconnect (Winter 2015) OS Red Hat Enterprise Linux 6.7 April 2015 National Center for Supercomputing Applications

23 Development, Demonstration, Deployment Failure to launch is rampant Bridge valley of death with demonstrations Workflow challenge is universal Business drivers will pull technology Minimum relevant scale needed to de-risk Volume historically drives down costs, but Focus on power users not flexibility

24 PSP serves top 2% of user community (mfg, bio, oil & gas) Power users run greater complexity & scale than is allowable on internal systems Persistent requirement for performance and speed (UNLIKE cloud computing) Business Barriers: Tasking model builders to do 10x 100x (1B x 1B elements!) Persistent development platforms on architectures favorable to ISVs No/Low cost HW/SW persistent access on industry pace and timeline Early access to new hardware platforms must rationalize SW modernization Lack of SW modernization predictive practices still very iterative (make/break/fix)

25 The high-performance computing capabilities of today will serve as the industrial workstation of tomorrow. Working with NCSA, we will gain access to HPC that enables simulation realism, where we can uncover hidden insights on our product designs to feed back to our engineering teams, driving better overall solutions. We also gain access to a high level of talent within NCSA conducting their own simulations, which helps our engineers stretch their imaginations to focus on solutions we could achieve for our own products. Gwenne Henricks, Caterpillar CTO & VP Product Development and Global Technology

26 Life Sciences Technology Institutes Technology Manufacturing Energy University of Illinois NCSA Private Sector Program Partners, Oct2015

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29 Co-Edited by Merle Giles & Anwar Osseyran 11 countries 40 contributors Introduction and history of computing Global overview of HPC & HPDA impact Business & technical case studies Challenges and opportunities Science & industry synergies

30 HPC: performance, petascale, commercial codes, Big Data, speed, etc. DOMAIN Domains: materials, fluids, bio-medical, genomics, manufacturing, seismic, etc. HPCAD Consulting: analysis, assessment, strategy, services, partnerships, value creation, etc. INNOVATION SERVICES SOFTWARE & MATH Software & Math: parallelization, code bottlenecks, multiphysics, algorithms, data, etc.

31 Innovation converts inventions and discovery into engineered products and services.

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