(Re)Introducing Aurora The Road to Exascale and Beyond Ti Leggett Deputy Director of Operations & Deputy Project Director ALCF-3 Argonne Leadership Computing Facility www.anl.gov
Argonne National Laboratory For seven decades, the U.S. Department of Energy’s Argonne National Laboratory has excelled in integrating world-class science, engineering, and user facilities to deliver innovative research and technologies and new knowledge that addresses the scientific and societal needs of our nation. 2 Argonne Leadership Computing Facility
About Argonne Argonne is a multidisciplinary science and engineering research center located outside Chicago. — Born out of the University of Chicago’s work on the Manhattan Project in the 1940s. — Managed by UChicago Argonne, LLC, for the U.S. Department of Energy’s Office of Science — Works with universities, industry, and other national labs on questions and experiments too large for any one institution to do by itself. 3 Argonne Leadership Computing Facility
Lab at a Glance Fiscal Year 2017 Budget: $750 million / Procurement: $270 million Workforce 3,200 total employees 270 postdoctoral scholars 569 graduate and undergrad students 274 joint faculty 8,300 facility users 1,107 visiting scientists Research 16 research divisions 5 national scientific user facilities Many centers, joint institutes, program offices Hundreds of research partners 4 Argonne Leadership Computing Facility
Office of Science User Facilities at Argonne National Laboratory DOE Office of Science user facilities provide the research community with the most advanced tools for modern science. — Advanced Photon Source — Argonne Leadership Computing Facility — Argonne Tandem Linear Accelerator System — ARM Southern Great Plains — Center for Nanoscale Materials 5 Argonne Leadership Computing Facility
What is the Argonne Leadership Computing Facility? 6 Argonne Leadership Computing Facility
The Argonne Leadership Computing Facility provides world-class computing resources to the scientific community. — Users pursue scientific challenges — In-house experts to help maximize results — Resources fully dedicated to open science 7 Argonne Leadership Computing Facility
A Community of Users Our community is made up of researchers from academia, industry, and government labs working in a wide range of disciplines. 8 Argonne Leadership Computing Facility
In-House Expertise ALCF teams play a critical role in supporting the facility’s supercomputing environments, the user community, and their efforts to accelerate scientific discoveries. ALCF researchers lead and participate in several strategic activities that aim to push the boundaries of what’s possible in computational science and engineering. 9 Argonne Leadership Computing Facility
ALCF Growth and Impact Hours requested vs. allocated: ~2X per year ~3X per year Hours 4.9 M 6.5 M 18.2 M 95 M 268 M 889 M 1.6 B 1.7 B 1.7 B 4.7 B 5.8 B 5.8 B 6.2 B 8.4 B allocated Projects 3 3 15 45 55 66 69 57 60 61 59 56 60 91 Quantitative 3D Largest simulation of a evolution of Calculation of the number of galaxy’s worth of dark matter, Unprecedented colloidal Researchers solved the bound nuclei in nature. Recovery from slow showed for the first time the simulation of Carbon-based nanoparticle 2D Hubbard model and Nature (2012) inactivation in magnitude-8 tribofilms from fractal-like appearance of dark oxidation in presented evidence that it matter substructures. Nature earthquake over potassium channels lubricating NIST proposes new standard solution. predicts HTSC behavior. 125-square miles. controlled by H 2 O. (2008), Science (2009) oils. Nature reference materials from LCF Science (2017) Phys. Rev. Lett ( 2005) Nature (2013) Proc. SC10 (2016) concrete simulations. 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 Modeling of molecular basis of World’s first continuous simulation of Macroscale Ultra-selective high- OMEN breaks the petascale barrier Parkinson’s disease named #1 21,000 years of Earth’s climate history. superlubricity flux membranes from using more than 220,000 cores. computational accomplishment. Science (2009) enabled by graphene directly synthesized Proc. SC10 Breakthroughs (2008) nanoscroll formation. zeolite nanosheets. Largest-ever LES of a full-sized New method to rapidly determine Science (2015) Nature (2017) commercial combustion chamber used in protein structure, with limited an existing helicopter turbine. Compte experimental data. Science (2010), Rendus Mecanique (2009) Nature (2011) 10 Argonne Leadership Computing Facility
What is a Supercomputer? 11 www.anl.gov Argonne Leadership Computing Facility
What is a computer? • Input • Output • Storage • Process Information 12 Argonne Leadership Computing Facility
Supercomputing Resources Our supercomputers are 10 to 100 times more powerful than systems typically used for scientific research. 13 Argonne Leadership Computing Facility
What’s the Difference? • A typical laptop can do about 89,000,000,000 math calculations every second • Or 89 gigaFLOPS • The fastest supercomputers today can do over 100,000,000,000,000,000 math calculations every second • Or 100 petaFLOPS • Over 1 million times as fast as a laptop 14 Argonne Leadership Computing Facility
ALCF Computing Resources Mira IBM BG/Q Theta Cray XC40 49,152 nodes 4,392 nodes 786,432 cores 281,088 cores Production 07/01/2017 768 TiB RAM 892 TiB RAM Peak flop rate: 10 PF Peak flop rate: 11.69 PF Cooley Cray/NVIDIA Cetus IBM BG/Q Theta – ALCF’s newest 126 nodes 4,096 nodes 1512 Intel Haswell CPU cores production system 65,536 cores 126 NVIDIA Tesla K80 GPUs 64 TiB RAM 48 TB RAM / 3 TB GPU Peak flop rate: 836 TF Features Intel processors and Iota Intel/Cray XC40 Firestone IBM Power8 interconnect technology, a new 44 nodes 2 nodes + K80 GPU 2,816 cores 20 cores memory architecture, and a 8.9 TiB RAM 128 GB RAM Lustre-based parallel filesystem – Peak flop rate: 117 TF Hybrid CPU/GPU all integrated by Cray’s HPC Storage Capability software stack Disk Tape • Mira: ~27 PB of GPFS file system capacity • The ALCF has three 10,000-slot libraries with performance of 240 GB/s on the using LTO 6 tape technology. The LTO tape largest file system (19PB). drives have built-in hardware compression • Theta: ~18 PB of GPFS/Lustre file system for an effective capacity of 36-60 PB. capacity; 9PB is GPFS and 9.2PB is Lustre. 15 Argonne Leadership Computing Facility
What is a Supercomputer Used For? 16 www.anl.gov Argonne Leadership Computing Facility
The scientific output of our nation is increasingly supported by computational science – the so-called third pillar of scientific inquiry, along with theory and experiment. 17 Argonne Leadership Computing Facility
To prepare for future exascale systems, the ALCF is driving a new paradigm for scientific computing. — Modeling & Simulation — Data Science — Machine Learning 18 Argonne Leadership Computing Facility
Modeling & Simulation Simulation can be used to study things that are too big, too small, or too dangerous to study in a laboratory setting. 19 Argonne Leadership Computing Facility
Data Science Researchers can glean insights from very large datasets produced by experimental, simulation, or observational methods. 20 Argonne Leadership Computing Facility
Machine Learning Machine learning is a type of artificial intelligence that trains computers to discover hidden patterns in data to make novel predictions without being explicitly programmed. 21 Argonne Leadership Computing Facility
What problems do researchers solve? 22 22 Argonne Leadership Computing Facility Argonne Leadership Computing Facility
Research teams come to ALCF to work on some of the biggest challenges in the world. — How does life work? — What is our universe made of? — How can we meet our energy needs? — What technologies are on the horizon? 23 Argonne Leadership Computing Facility
Biological Systems From designing new drug therapies to understanding how our brain works, our supercomputers are essential for analyzing biological phenomena in precise molecular terms. Researchers use simulation and modeling to study the complex behaviors and interactions a wide range of biological systems of increasing complexity—from macromolecular interactions to entire ecosystems. 24 Argonne Leadership Computing Facility
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