NCSA Grants $2.6M in Blue Waters Awards to Illinois Researchers

July 6, 2017

URBANA, Ill., July 6, 2017 — The National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign has awarded 3,697,000 node hours (NH) of time on the Blue Waters supercomputer to Illinois researchers from Spring 2017 proposal submissions.

The combined value of these awards is over $2.6 million dollars, and through the life of the Blue Waters program, NCSA has awarded over 43 million node hours to UI researchers—a value of nearly $27 million. Some of the time allocated for Blue Waters will go to projects that focus on HIV research, Laser Interferometer Gravitational-Wave Observatory (LIGO) simulations, genomics and global warming research.

NCSA researchers Eliu Huerta and Roland Haas will use their 495,000 NH allocation to generate catalogs of numerical relativity (NR) simulations with the open source, NR software called the Einstein Toolkit. NCSA is a an official member of the LIGO Scientific Collaboration (LSC), and Huerta and Haas share these simulations with the LSC to contribute to the validation of new gravitational wave transients.

Why Blue Waters? When LIGO detects a new gravitational wave transient, the NR waveforms are used to validate the astrophysical origin of the signal, and to constrain its astrophysical parameters. This time-critical analysis requires dozens of NR simulations, each requiring thousands of Blue Waters node hours of computer time that must be run in parallel to sample a higher dimensional parameter space. No other resource but Blue Waters can provide the required computational power on short notice.

Tandy Warnow, a professor in computer science and bioengineering at the University of Illinois at Urbana-Champaign, has been awarded 125,000 NH for her work on improving methods for phylogenomics, proteomics and metagenomics.

“The Blue Waters allocation is allowing us to develop new methods with much greater accuracy by testing and refining our algorithmic designs, so that we end up with new computational methods that are much more accurate than any current method, and that can scale to ultra-large datasets. None of this would be possible without Blue Waters!”

Juan Perilla and Jodi Hadden, researchers in the Theoretical and Computational Biophysics Group at the Beckman Institute, were allocated 582,000 NH for research focusing on virus capsids, the interactions of virus capsids with human factors and with antiviral drugs. Perilla says he and Hadden will use the allocation to study the effects of assembly inhibitor on the Hepatitis-B virus capsid and the HIV-1 capsid. “Blue Waters enables us to perform accurate, all-atom simulations of drug-compounds bound to the viral capsid and allows us to perform large-scale analysis of the results from the simulations,” said Pedilla.

Atmospheric sciences associate professor, Ryan Sriver and PhD candidate, Hui Li are using Blue Waters to explore the interactions between tropical cyclones (e.g. hurricanes) and Earth’s climate.

Sriver and Li are conducting a series of high-resolution global climate simulations using the Community Earth System Model (CESM), which features a 25 km atmosphere component capable of capturing realistic tropical cyclone activity—number, location, intensity—on a global scale. Results will enable key insights into the importance of tropical cyclones within Earth’s coupled climate system, as well as how storm activity may change in the future.

Narayana R. Aluru, Department of Mechanical Science and Engineering, could not perform the molecular dynamic simulations without the petascale power of Blue Waters. Aluru’s work focuses on systematic, thermodynamically consistent, structure-based coarse graining of room temperature ionic liquids. “Since the size of these ions is several nanometers and their interactions are highly dominated by electrostatics, the all-atom simulation of these systems is computationally expensive but critical. We perform molecular dynamics simulations which involve up to 400,000 atoms. These computationally expensive computations would not be possible to perform without a petascale supercomputer (Blue Waters),” said Aluru.

“The goal of our project is to uncover principles that drive the evolution of function in proteins,” said Gustavo Caetano-Anollés of the Department of Crop Sciences at the University of Illinois at Urbana-Champaign. “During previous Blue Waters allocations, we have performed 87 and 116 molecular dynamics simulations of protein loops on the timescales of approximately 10-12 and 50-70 nanoseconds, respectively,” said Caetano-Anollés. “In order to accomplish our goals in a timely fashion, we take advantage of efficient scalability on the NAMD simulation system in Blue Waters. Scalability coupled with GPU-computing provides acceleration gain vital to completing a project of this magnitude.”

“Using Blue Waters will allow us to self-consistently address the entire sequence of events leading to the development of a geomagnetic storm, and for the first time, to assess the implications of the induced electric fields to the enhancements of the near-Earth currents. This will provide the connection between the macro-scale dynamics and micro-scale processes leading to the development of a geomagnetic storm. As a result, this will significantly improve our space weather prediction capabilities,” said Raluca Ilie, Department of Electrical and Computer Engineering, about the impact of Blue Waters on her work, “Quantifying the Effects of Inductive Electric Fields in the Terrestrial Magnetosphere.”

Other researchers awarded Blue Waters allocations for Spring 2017 include:

  • Stuart Shapiro (Department of Physics), Milton RuizAntonios Tsokaros and Vasileios Paschalidis: 500,000 NH for “Gravitational and Electromagnetic Signatures of Compact Binary Mergers: General Relativistic Simulations at the Petascale”
  • Matthew West (Department of Atmospheric Sciences), Nicole Riemer and Jeffrey H. Curtis: 240,000 NH for “Verification of a Global Aerosol Model using a 3D Particle-Resolved Model”
  • Hsi-Yu Schive (NCSA), Matthew TurkJohn ZuhoneNathan Goldbaum and Jeremiah Ostriker: 230,000 NH for “Ultra-High Resolution Astrophysical Simulations with GAMER”
  • Aleksei Aksimentiev (Department of Physics): 225,000 NH for “Epigenetic Regulation of Chromatin Structure and Dynamics”
  • Mark Neubauer (Department of Physics), Philip ChangRob Gardner and Dewen Zhong: 140,000 NH for “Enabling Discoveries at the Large Hadron Collider through Advanced Computation and Deep Learning”
  • Benjamin Hooberman (Department of Physics), Amir FarbinMatt Zhang and Ryan Reece: 125,000 NH for “Employing Deep Learning Techniques for Particle Identification at the Large Hadron Collider”
  • Nancy Makri (Department of Chemistry), Peter Walters and Amartya Bose: 100,000 NH for “Quantum-Classical Path Integral Simulation of Charge Transfer Reactions”
  • Brad Sutton (Department of Bioengineering), Curtis JohnsonAlex Cerjanic and Aaron Anderson: 100,000 NH for “HPC-Based Approaches for High-Resolution, Quantitative MRI Applications”
  • Brian Thomas (Department of Mechanical Science & Engineering): 75,000 NH for “Multiphysics Modeling of Steel Continuous Casting”

Source: NCSA

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!

Penguin Computing Brings Cascade Lake-AP to OCP Form Factor

July 7, 2020

Penguin Computing, a subsidiary of SMART Global Holdings, Inc., is announcing a new Tundra server, Tundra AP, that is the first to implement the Intel Xeon Scalable 9200 series processors (codenamed Cascade Lake-AP) in t Read more…

By Tiffany Trader

Google Cloud Debuts 16-GPU Ampere A100 Instances

July 7, 2020

On the heels of the Nvidia's Ampere A100 GPU launch in May, Google Cloud is announcing alpha availability of the A100 "Accelerator Optimized" VM A2 instance family on Google Compute Engine. The instances are powered by t Read more…

By Tiffany Trader

Q&A: HLRS’s Bastian Koller Tackles HPC and Industry in Germany and Europe

July 6, 2020

HPCwire: Let's start with HLRS and work our way up to the European scale. HLRS has stood out in the HPC world for its support of both scientific and industrial research. Can you discuss key developments in recent years? Read more…

By Steve Conway, Hyperion

The Barcelona Supercomputing Center Offers a Virtual Tour of Its MareNostrum Supercomputer

July 6, 2020

With the COVID-19 pandemic continuing to threaten the world and disrupt normal operations, facility tours remain a little difficult to operate, with many supercomputing centers having shuttered facility tours for visitor Read more…

By Oliver Peckham

What’s New in Computing vs. COVID-19: Fugaku, Congress, De Novo Design & More

July 2, 2020

Supercomputing, big data and artificial intelligence are crucial tools in the fight against the coronavirus pandemic. Around the world, researchers, corporations and governments are urgently devoting their computing reso Read more…

By Oliver Peckham

AWS Solution Channel

Maxar Builds HPC on AWS to Deliver Forecasts 58% Faster Than Weather Supercomputer

When weather threatens drilling rigs, refineries, and other energy facilities, oil and gas companies want to move fast to protect personnel and equipment. And for firms that trade commodity shares in oil, precious metals, crops, and livestock, the weather can significantly impact their buy-sell decisions. Read more…

Intel® HPC + AI Pavilion

Supercomputing the Pandemic: Scientific Community Tackles COVID-19 from Multiple Perspectives

Since their inception, supercomputers have taken on the biggest, most complex, and most data-intensive computing challenges—from confirming Einstein’s theories about gravitational waves to predicting the impacts of climate change. Read more…

OpenPOWER Reboot – New Director, New Silicon Partners, Leveraging Linux Foundation Connections

July 2, 2020

Earlier this week the OpenPOWER Foundation announced the contribution of IBM’s A21 Power processor core design to the open source community. Roughly this time last year, IBM announced open sourcing its Power instructio Read more…

By John Russell

Google Cloud Debuts 16-GPU Ampere A100 Instances

July 7, 2020

On the heels of the Nvidia's Ampere A100 GPU launch in May, Google Cloud is announcing alpha availability of the A100 "Accelerator Optimized" VM A2 instance fam Read more…

By Tiffany Trader

Q&A: HLRS’s Bastian Koller Tackles HPC and Industry in Germany and Europe

July 6, 2020

HPCwire: Let's start with HLRS and work our way up to the European scale. HLRS has stood out in the HPC world for its support of both scientific and industrial Read more…

By Steve Conway, Hyperion

OpenPOWER Reboot – New Director, New Silicon Partners, Leveraging Linux Foundation Connections

July 2, 2020

Earlier this week the OpenPOWER Foundation announced the contribution of IBM’s A21 Power processor core design to the open source community. Roughly this time Read more…

By John Russell

Hyperion Forecast – Headwinds in 2020 Won’t Stifle Cloud HPC Adoption or Arm’s Rise

June 30, 2020

The semiannual taking of HPC’s pulse by Hyperion Research – late fall at SC and early summer at ISC – is a much-watched indicator of things come. This yea Read more…

By John Russell

Racism and HPC: a Special Podcast

June 29, 2020

Promoting greater diversity in HPC is a much-discussed goal and ostensibly a long-sought goal in HPC. Yet it seems clear HPC is far from achieving this goal. Re Read more…

Top500 Trends: Movement on Top, but Record Low Turnover

June 25, 2020

The 55th installment of the Top500 list saw strong activity in the leadership segment with four new systems in the top ten and a crowning achievement from the f Read more…

By Tiffany Trader

ISC 2020 Keynote: Hope for the Future, Praise for Fugaku and HPC’s Pandemic Response

June 24, 2020

In stark contrast to past years Thomas Sterling’s ISC20 keynote today struck a more somber note with the COVID-19 pandemic as the central character in Sterling’s annual review of worldwide trends in HPC. Better known for his engaging manner and occasional willingness to poke prickly egos, Sterling instead strode through the numbing statistics associated... Read more…

By John Russell

ISC 2020’s Student Cluster Competition Winners Announced

June 24, 2020

Normally, the Student Cluster Competition involves teams of students building real computing clusters on the show floors of major supercomputer conferences and Read more…

By Oliver Peckham

Supercomputer Modeling Tests How COVID-19 Spreads in Grocery Stores

April 8, 2020

In the COVID-19 era, many people are treating simple activities like getting gas or groceries with caution as they try to heed social distancing mandates and protect their own health. Still, significant uncertainty surrounds the relative risk of different activities, and conflicting information is prevalent. A team of Finnish researchers set out to address some of these uncertainties by... Read more…

By Oliver Peckham

[email protected] Turns Its Massive Crowdsourced Computer Network Against COVID-19

March 16, 2020

For gamers, fighting against a global crisis is usually pure fantasy – but now, it’s looking more like a reality. As supercomputers around the world spin up Read more…

By Oliver Peckham

[email protected] Rallies a Legion of Computers Against the Coronavirus

March 24, 2020

Last week, we highlighted [email protected], a massive, crowdsourced computer network that has turned its resources against the coronavirus pandemic sweeping the globe – but [email protected] isn’t the only game in town. The internet is buzzing with crowdsourced computing... Read more…

By Oliver Peckham

Global Supercomputing Is Mobilizing Against COVID-19

March 12, 2020

Tech has been taking some heavy losses from the coronavirus pandemic. Global supply chains have been disrupted, virtually every major tech conference taking place over the next few months has been canceled... Read more…

By Oliver Peckham

Supercomputer Simulations Reveal the Fate of the Neanderthals

May 25, 2020

For hundreds of thousands of years, neanderthals roamed the planet, eventually (almost 50,000 years ago) giving way to homo sapiens, which quickly became the do Read more…

By Oliver Peckham

DoE Expands on Role of COVID-19 Supercomputing Consortium

March 25, 2020

After announcing the launch of the COVID-19 High Performance Computing Consortium on Sunday, the Department of Energy yesterday provided more details on its sco Read more…

By John Russell

Steve Scott Lays Out HPE-Cray Blended Product Roadmap

March 11, 2020

Last week, the day before the El Capitan processor disclosures were made at HPE's new headquarters in San Jose, Steve Scott (CTO for HPC & AI at HPE, and former Cray CTO) was on-hand at the Rice Oil & Gas HPC conference in Houston. He was there to discuss the HPE-Cray transition and blended roadmap, as well as his favorite topic, Cray's eighth-gen networking technology, Slingshot. Read more…

By Tiffany Trader

Honeywell’s Big Bet on Trapped Ion Quantum Computing

April 7, 2020

Honeywell doesn’t spring to mind when thinking of quantum computing pioneers, but a decade ago the high-tech conglomerate better known for its control systems waded deliberately into the then calmer quantum computing (QC) waters. Fast forward to March when Honeywell announced plans to introduce an ion trap-based quantum computer whose ‘performance’ would... Read more…

By John Russell

Leading Solution Providers


Neocortex Will Be First-of-Its-Kind 800,000-Core AI Supercomputer

June 9, 2020

Pittsburgh Supercomputing Center (PSC - a joint research organization of Carnegie Mellon University and the University of Pittsburgh) has won a $5 million award Read more…

By Tiffany Trader

‘Billion Molecules Against COVID-19’ Challenge to Launch with Massive Supercomputing Support

April 22, 2020

Around the world, supercomputing centers have spun up and opened their doors for COVID-19 research in what may be the most unified supercomputing effort in hist Read more…

By Oliver Peckham

Nvidia’s Ampere A100 GPU: Up to 2.5X the HPC, 20X the AI

May 14, 2020

Nvidia's first Ampere-based graphics card, the A100 GPU, packs a whopping 54 billion transistors on 826mm2 of silicon, making it the world's largest seven-nanom Read more…

By Tiffany Trader

Australian Researchers Break All-Time Internet Speed Record

May 26, 2020

If you’ve been stuck at home for the last few months, you’ve probably become more attuned to the quality (or lack thereof) of your internet connection. Even Read more…

By Oliver Peckham

10nm, 7nm, 5nm…. Should the Chip Nanometer Metric Be Replaced?

June 1, 2020

The biggest cool factor in server chips is the nanometer. AMD beating Intel to a CPU built on a 7nm process node* – with 5nm and 3nm on the way – has been i Read more…

By Doug Black

15 Slides on Programming Aurora and Exascale Systems

May 7, 2020

Sometime in 2021, Aurora, the first planned U.S. exascale system, is scheduled to be fired up at Argonne National Laboratory. Cray (now HPE) and Intel are the k Read more…

By John Russell

Summit Supercomputer is Already Making its Mark on Science

September 20, 2018

Summit, now the fastest supercomputer in the world, is quickly making its mark in science – five of the six finalists just announced for the prestigious 2018 Read more…

By John Russell

TACC Supercomputers Run Simulations Illuminating COVID-19, DNA Replication

March 19, 2020

As supercomputers around the world spin up to combat the coronavirus, the Texas Advanced Computing Center (TACC) is announcing results that may help to illumina Read more…

By Staff report

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