Sneak Peek at 19 Science Simulations for Summit Supercomputer in 2019

By Katie Elyce Jones

January 23, 2019

This month, Summit Early Science Program users are starting to work on some of the world’s toughest science problems on its most powerful supercomputer: the 200-petaflop, IBM AC922 Summit system at the Oak Ridge Leadership Computing Facility (OLCF). The OLCF is a US Department of Energy Office of Science User Facility located at Oak Ridge National Laboratory (ORNL).

Not only is Summit significantly expanding the capabilities of modeling and simulation—from tracking the elements released in star explosions to virtually testing future fusion reactors—the system is taking researchers into new territory enabled by artificial intelligence (AI). From uncovering unseen patterns in cancer data to creating deep learning networks for scientific image analysis, 2019 is poised to be a groundbreaking year for applying AI algorithms to intractable data science problems. In this article, we preview just 19 of the more than 30 critical science topics and simulations researchers will be tackling on Summit during the Early Science period.

View the complete list of the Early Science projects here.

  1. Evolution of the universe 

To investigate big questions in modern cosmology, including the role of dark energy in the acceleration of the universe and the distribution of unseen dark matter, researchers will simulate a “virtual universe” on Summit that can be combined with observational results.

Project: Frontier Precision Cosmology with HACC
Principal investigator: Salman Habib, Argonne National Laboratory

  1. Whole-cell simulation

Scientists will use sophisticated experimental data on cellular structures like organelles in atomic detail to simulate the dynamics of what will likely be the first computationally modeled “protocell” that incorporates a cell’s essential features from the atomic to the cellular scale.

Project: Protocell: Petascale Simulation with NAMD and VMD Helps Understanding Cells at the Atomic Level
Principal investigator: Emad Tajkhorshid, University of Illinois-Urbana Champagne

  1. Inside a nuclear reactor

Researchers will simulate an operating nuclear reactor and compare the results with operational data from a real nuclear reactor plant. Summit will enable the team to simulate details that could not previously be computed, contributing to a national effort to extend the lifetimes of nuclear reactors.

Project: Full Power Simulation of the Watts Bar Nuclear Reactor using the Shift Monte Carlo Transport Solver
Principal investigator: Steven Hamilton, ORNL

  1. Post-Moore’s Law graphene circuits

Scientists will explore potential metals for components in atomically precise graphene nanoribbon circuits that could offer an alternative to traditional silicon-based computer circuitry, which is predicted to become too small by the 2020s to work reliably.

Project: Nanoscale Design of Contacts to Atomically Precise Graphene Devices
Principal investigator: Jerry Bernholc, North Carolina State University

  1. A critical point in the formation of matter

To help experimental researchers at Brookhaven National Laboratory’s Relativistic Heavy-Ion Collider find the critical point at which the particle “soup” of quarks and gluons present following the Big Bang coexists with matter as we know it (called hadronic matter), researchers will carry out fundamental physics calculations on Summit that require extreme computational power.

Project: Hot-dense Lattice QCD for RHIC Beam Energy
Principal investigator: Swagato Mukherjee, Brookhaven National Laboratory

  1. The cell’s molecular machine

Adenosine triphosphate (ATP) synthase is a protein found in photosynthetic cells that is extremely efficient at converting light energy into the cellular fuel ATP through tiny, atomic motions. By simulating ATP synthase on Summit, scientists might help guide the design of bio-inspired solar energy devices.

Project: All-atom simulations of motor proteins for cellular energy metabolism
Principal investigators: Abhishek Singharoy, Arizona State University

  1. Unpacking the nucleus

On Summit, scientists will use a computational approach based on the strong force that binds subatomic particles, known as lattice quantum-chromodynamics, to make calculations important to experimental searches aimed at uncovering new knowledge about the nucleus, such as the proton radius and potentially undiscovered states of matter at the subatomic level.

Project: Hadrons, nuclei and fundamental symmetries
Principal investigator: Robert Edwards, Thomas Jefferson National Accelerator Facility

  1. Mars landing 

To advance human exploration of the Red Planet, a NASA team will simulate flow between the Martian atmosphere and descending rocket exhaust.

Project: Enabling Human Exploration of the Red Planet
Principal investigator: Eric Nielsen, NASA

  1. Deep learning for microscopy data

Scientists are using an ORNL-developed AI system called MENNDL to automatically create deep learning networks that can rapidly extract information from electron microscopy data. Electron microscopy is an important tool for nanofabrication (atom-scale manufacturing), which is already being used in the development of new consumer devices, medicines, electronics, and more.

Project: Scalable Machine Learning of Scientific Data
Principal investigator: Robert Patton, ORNL

  1. Elements from star explosions

To understand the quantity and dissemination of elements expelled from supernovae, astrophysicists are using Summit to model nuclear burning with about 10 times more elements than previous state-of-the-art simulations. These massive simulations require computing at multiple scales, from large-scale fluid motion (hydrodynamics) calculations to small-scale particle interactions.

Project: Modeling Stellar Explosions and Their Nucleosynthesis with an Optimized FLASH Code
Principal investigator: Bronson Messer, ORNL

  1. Cancer data 

Using AI, researchers are training computers to extract important information from large volumes of clinical text and biomedical documents on cancer. Such information can be used to help doctors determine the best treatment for each patient and improve overall population health outcomes.

Project: Exascale AI to Advance Health Using Big Heterogeneous Biomedical Data
Principal investigator: Georgia Tourassi, ORNL

  1. Earthquake resilience for cities

To improve earthquake prediction for cities, researchers will use the computational power of Summit to couple the shaking of the ground with building structures in the same simulation while also modeling new physical features.

Project: Low-order Unstructured Finite-element Earthquake Simulation on Summit
Principal investigator: Kohei Fujita, University of Tokyo

  1. The nature of elusive neutrinos 

Scientists worldwide are studying the properties of the neutrino—a neutral subatomic particle that is nearly massless yet abundant in the universe and, once better understood, that could help answer unsolved problems in physics. A team of nuclear physicists are using Summit to generate an important benchmark for neutrino studies by computing a hypothetical type of nuclear decay known as neutrino-less double-beta decay in a calcium-48 nucleus.

Project: The neutrino-less double beta-decay of calcium-48
Principal investigator: Gaute Hagen, ORNL

  1. Extreme weather detailed with deep learning

To study extreme weather patterns like hurricanes at new levels of detail, researchers will use Summit to explore the application of deep learning to climate data analysis, which involves finding meaningful patterns in massive datasets.

Project: Exascale Deep Learning
Principal investigator: Prabhat, Lawrence Berkeley National Laboratory

  1. Flexible, lightweight solar cells

On Summit, researchers will model energy-converting processes in organic materials, which could guide designs for highly efficient organic photovoltaic devices that could be competitive with traditional solar cells.

Project: Organic Photovoltaic Materials Design Using the GronOR Non-Orthogonal Configuration Interaction Software
Principal investigator: Remco Havenith, University of Groningen

  1. Virtual fusion reactor 

Plasma physicists are using Summit as a “virtual fusion reactor” to model the behavior of plasma—the hot gas medium in which particles generate fusion energy. Understanding plasma behavior is critical for fusion experiments like ITER, which will explore how fusion can help sustainably meet growing global energy demand.

Project: Using XGC to predict ITER’s boundary plasma performance and its impact on fusion efficiency
Principal investigator: C. S. Chang, Princeton Plasma Physics Laboratory

  1. Unpredictable material properties

Materials scientists will simulate coupled structural and electronic phases using, for the first time, the quantum mechanics-based method Quantum Monte Carlo. By combining these two phases in transition metal oxides, known for their unpredictable yet useful properties, researchers aim to demonstrate structural optimization of these materials.

Project: Structurally complex oxides with Quantum Monte Carlo
Principal investigator: Paul Kent, ORNL

  1. Genetic clues in the opioid crisis 

In 2017, opioids contributed to more than 49,000 overdose deaths in the United States. In midst of this national public health crisis, researchers will use Summit to study complex genetic interactions that lead to physical traits, such as how people develop chronic pain and respond to opioids. The results could help inform treatment for patients predisposed to substance abuse and other conditions.

Project: Attacking the Opioid Epidemic: Determining the Epistatic and Pleiotropic Genetic Architectures for Chronic Pain and Opioid Addiction
Principal investigator: Dan Jacobson, ORNL

  1. Turbulent environments 

On Summit, researchers will explore how combustion takes place in turbulent environments such as gas turbines or car engines using a fluid dynamics solver that incorporates the multiscale and multiphysics processes at play in these systems.

Project: First Principles Investigation of Turbulent Scalar-Mixing and Combustion in Supercritical Fluids
Principal investigator: Joseph Oefelein, Georgia Tech

And that’s not all

Beyond the Summit Early Science Program, scientists from around the world are already beginning to access Summit through the 2019 DOE INCITE program, and there is still an opportunity for researchers to submit proposals for the 2019–2020 Advanced Scientific Computing Research (ASCR) Leadership Computing Challenge (ALCC) program, which focuses on projects that align with the DOE mission to ensure America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions.

The ALCC call for proposals closes February 13, 2019. Visit the DOE Advanced ScientificComputing Research website to learn more.

Source: OLCF

Subscribe to HPCwire's Weekly Update!

Be the most informed person in the room! Stay ahead of the tech trends with industy updates delivered to you every week!

Simulating Car Crashes with Supercomputers – and Lego

October 18, 2019

It’s an experiment many of us have carried out at home: crashing two Lego creations into each other, bricks flying everywhere. But for the researchers at the General German Automobile Club (ADAC) – which is comparabl Read more…

By Oliver Peckham

NASA Uses Deep Learning to Monitor Solar Weather

October 17, 2019

Solar flares may be best-known as sci-fi MacGuffins, but those flares – and other space weather – can have serious impacts on not only spacecraft and satellites, but also on Earth-based systems such as radio communic Read more…

By Oliver Peckham

Federated Learning Applied to Cancer Research

October 17, 2019

The ability to share and analyze data while protecting patient privacy is giving medical researchers a new tool in their efforts to use what one vendor calls “federated learning” to train models based on diverse data Read more…

By George Leopold

Using AI to Solve One of the Most Prevailing Problems in CFD

October 17, 2019

How can artificial intelligence (AI) and high-performance computing (HPC) solve mesh generation, one of the most commonly referenced problems in computational engineering? A new study has set out to answer this question and create an industry-first AI-mesh application... Read more…

By James Sharpe

NSB 2020 S&E Indicators Dig into Workforce and Education

October 16, 2019

Every two years the National Science Board is required by Congress to issue a report on the state of science and engineering in the U.S. This year, in a departure from past practice, the NSB has divided the 2020 S&E Read more…

By John Russell

AWS Solution Channel

Making High Performance Computing Affordable and Accessible for Small and Medium Businesses with HPC on AWS

High performance computing (HPC) brings a powerful set of tools to a broad range of industries, helping to drive innovation and boost revenue in finance, genomics, oil and gas extraction, and other fields. Read more…

HPE Extreme Performance Solutions

Intel FPGAs: More Than Just an Accelerator Card

FPGA (Field Programmable Gate Array) acceleration cards are not new, as they’ve been commercially available since 1984. Typically, the emphasis around FPGAs has centered on the fact that they’re programmable accelerators, and that they can truly offer workload specific hardware acceleration solutions without requiring custom silicon. Read more…

IBM Accelerated Insights

How Do We Power the New Industrial Revolution?

[Attend the IBM LSF, HPC & AI User Group Meeting at SC19 in Denver on November 19!]

Almost everyone is talking about artificial intelligence (AI). Read more…

What’s New in HPC Research: Rabies, Smog, Robots & More

October 14, 2019

In this bimonthly feature, HPCwire highlights newly published research in the high-performance computing community and related domains. From parallel programming to exascale to quantum computing, the details are here. Read more…

By Oliver Peckham

Using AI to Solve One of the Most Prevailing Problems in CFD

October 17, 2019

How can artificial intelligence (AI) and high-performance computing (HPC) solve mesh generation, one of the most commonly referenced problems in computational engineering? A new study has set out to answer this question and create an industry-first AI-mesh application... Read more…

By James Sharpe

NSB 2020 S&E Indicators Dig into Workforce and Education

October 16, 2019

Every two years the National Science Board is required by Congress to issue a report on the state of science and engineering in the U.S. This year, in a departu Read more…

By John Russell

Crystal Ball Gazing: IBM’s Vision for the Future of Computing

October 14, 2019

Dario Gil, IBM’s relatively new director of research, painted a intriguing portrait of the future of computing along with a rough idea of how IBM thinks we’ Read more…

By John Russell

Summit Simulates Braking – on Mars

October 14, 2019

NASA is planning to send humans to Mars by the 2030s – and landing on the surface will be considerably trickier than landing a rover like Curiosity. To solve Read more…

By Staff report

Trovares Drives Memory-Driven, Property Graph Analytics Strategy with HPE

October 10, 2019

Trovares, a high performance property graph analytics company, has partnered with HPE and its Superdome Flex memory-driven servers on a cybersecurity capability the companies say “routinely” runs near-time workloads on 24TB-capacity systems... Read more…

By Doug Black

Intel, Lenovo Join Forces on HPC Cluster for Flatiron

October 9, 2019

An HPC cluster with deep learning techniques will be used to process petabytes of scientific data as part of workload-intensive projects spanning astrophysics to genomics. AI partners Intel and Lenovo said they are providing... Read more…

By George Leopold

Optimizing Offshore Wind Farms with Supercomputer Simulations

October 9, 2019

Offshore wind farms offer a number of benefits; many of the areas with the strongest winds are located offshore, and siting wind farms offshore ameliorates many of the land use concerns associated with onshore wind farms. Some estimates say that, if leveraged, offshore wind power... Read more…

By Oliver Peckham

Harvard Deploys Cannon, New Lenovo Water-Cooled HPC Cluster

October 9, 2019

Harvard's Faculty of Arts & Sciences Research Computing (FASRC) center announced a refresh of their primary HPC resource. The new cluster, called Cannon after the pioneering American astronomer Annie Jump Cannon, is supplied by Lenovo... Read more…

By Tiffany Trader

Supercomputer-Powered AI Tackles a Key Fusion Energy Challenge

August 7, 2019

Fusion energy is the Holy Grail of the energy world: low-radioactivity, low-waste, zero-carbon, high-output nuclear power that can run on hydrogen or lithium. T Read more…

By Oliver Peckham

DARPA Looks to Propel Parallelism

September 4, 2019

As Moore’s law runs out of steam, new programming approaches are being pursued with the goal of greater hardware performance with less coding. The Defense Advanced Projects Research Agency is launching a new programming effort aimed at leveraging the benefits of massive distributed parallelism with less sweat. Read more…

By George Leopold

Cray Wins NNSA-Livermore ‘El Capitan’ Exascale Contract

August 13, 2019

Cray has won the bid to build the first exascale supercomputer for the National Nuclear Security Administration (NNSA) and Lawrence Livermore National Laborator Read more…

By Tiffany Trader

AMD Launches Epyc Rome, First 7nm CPU

August 8, 2019

From a gala event at the Palace of Fine Arts in San Francisco yesterday (Aug. 7), AMD launched its second-generation Epyc Rome x86 chips, based on its 7nm proce Read more…

By Tiffany Trader

Ayar Labs to Demo Photonics Chiplet in FPGA Package at Hot Chips

August 19, 2019

Silicon startup Ayar Labs continues to gain momentum with its DARPA-backed optical chiplet technology that puts advanced electronics and optics on the same chip Read more…

By Tiffany Trader

Using AI to Solve One of the Most Prevailing Problems in CFD

October 17, 2019

How can artificial intelligence (AI) and high-performance computing (HPC) solve mesh generation, one of the most commonly referenced problems in computational engineering? A new study has set out to answer this question and create an industry-first AI-mesh application... Read more…

By James Sharpe

D-Wave’s Path to 5000 Qubits; Google’s Quantum Supremacy Claim

September 24, 2019

On the heels of IBM’s quantum news last week come two more quantum items. D-Wave Systems today announced the name of its forthcoming 5000-qubit system, Advantage (yes the name choice isn’t serendipity), at its user conference being held this week in Newport, RI. Read more…

By John Russell

Chinese Company Sugon Placed on US ‘Entity List’ After Strong Showing at International Supercomputing Conference

June 26, 2019

After more than a decade of advancing its supercomputing prowess, operating the world’s most powerful supercomputer from June 2013 to June 2018, China is keep Read more…

By Tiffany Trader

Leading Solution Providers

ISC 2019 Virtual Booth Video Tour

CRAY
CRAY
DDN
DDN
DELL EMC
DELL EMC
GOOGLE
GOOGLE
ONE STOP SYSTEMS
ONE STOP SYSTEMS
PANASAS
PANASAS
VERNE GLOBAL
VERNE GLOBAL

A Behind-the-Scenes Look at the Hardware That Powered the Black Hole Image

June 24, 2019

Two months ago, the first-ever image of a black hole took the internet by storm. A team of scientists took years to produce and verify the striking image – an Read more…

By Oliver Peckham

Intel Confirms Retreat on Omni-Path

August 1, 2019

Intel Corp.’s plans to make a big splash in the network fabric market for linking HPC and other workloads has apparently belly-flopped. The chipmaker confirmed to us the outlines of an earlier report by the website CRN that it has jettisoned plans for a second-generation version of its Omni-Path interconnect... Read more…

By Staff report

Crystal Ball Gazing: IBM’s Vision for the Future of Computing

October 14, 2019

Dario Gil, IBM’s relatively new director of research, painted a intriguing portrait of the future of computing along with a rough idea of how IBM thinks we’ Read more…

By John Russell

Kubernetes, Containers and HPC

September 19, 2019

Software containers and Kubernetes are important tools for building, deploying, running and managing modern enterprise applications at scale and delivering enterprise software faster and more reliably to the end user — while using resources more efficiently and reducing costs. Read more…

By Daniel Gruber, Burak Yenier and Wolfgang Gentzsch, UberCloud

Intel Debuts Pohoiki Beach, Its 8M Neuron Neuromorphic Development System

July 17, 2019

Neuromorphic computing has received less fanfare of late than quantum computing whose mystery has captured public attention and which seems to have generated mo Read more…

By John Russell

Rise of NIH’s Biowulf Mirrors the Rise of Computational Biology

July 29, 2019

The story of NIH’s supercomputer Biowulf is fascinating, important, and in many ways representative of the transformation of life sciences and biomedical res Read more…

By John Russell

Quantum Bits: Neven’s Law (Who Asked for That), D-Wave’s Steady Push, IBM’s Li-O2- Simulation

July 3, 2019

Quantum computing’s (QC) many-faceted R&D train keeps slogging ahead and recently Japan is taking a leading role. Yesterday D-Wave Systems announced it ha Read more…

By John Russell

With the Help of HPC, Astronomers Prepare to Deflect a Real Asteroid

September 26, 2019

For years, NASA has been running simulations of asteroid impacts to understand the risks (and likelihoods) of asteroids colliding with Earth. Now, NASA and the European Space Agency (ESA) are preparing for the next, crucial step in planetary defense against asteroid impacts: physically deflecting a real asteroid. Read more…

By Oliver Peckham

  • arrow
  • Click Here for More Headlines
  • arrow
Do NOT follow this link or you will be banned from the site!
Share This