Sony Pixel Power calrec Sony

Doing the Math: Michigan Team Cracks the Code for Subatomic Insights

23/09/2021

In record time, Vikram Gavini's lab crossed a big milestone in viewing tiny things.

The three-person team at the University of Michigan crafted a program that uses complex math to peer deep into the world of the atom. It could advance many fields of science, as well as the design for everything from lighter cars to more effective drugs.

The code, available in the group's open source repository, got a 20x speedup in just 18 months thanks to GPUs.

A Journey to the Summit In mid-2018 the team was getting ready to release a version of the code running on CPUs when it got an invite to a GPU hackathon at Oak Ridge National Lab, the home of Summit, one of the world's fastest supercomputers.

We thought, let's go see what we can achieve, said Gavini, a professor of mechanical engineering and materials science.

We quickly realized our code could exploit the massive parallelism in GPUs, said Sambit Das, a post-doc from the lab who attended the five-day event.

Before it was over, Das and another lab member, Phani Motamarri, got 5x speedups moving the code to CUDA and its libraries. They also heard the promise of much more to come.

From 5x to 20x Speedups in Six Months Over the next few months, the lab continued to tune its program for analyzing 100,000 electrons in 10,000 magnesium atoms. By early 2019, it was ready to run on Summit.

Taking an iterative approach, the lab ran increasing portions of its code on more and more of Summit's nodes. By April, it was using most of the system's 27,000 GPUs, getting nearly 46 petaflops of performance, 20x prior work.

It was an unheard-of result for a program based on density functional theory (DFT), the complex math that accounts for quantum interactions among subatomic particles.

Distributed Computing for Difficult Calculations DFT calculations are so complex and fundamental that they currently consume a quarter of the time on all public research computers. They are the subject of 12 of the 100 most-cited scientific papers, used to analyze everything from astrophysics to DNA strands.

Initially, the lab reported its program used nearly 30 percent of Summit's peak theoretical capability, an unusually high efficiency rate. By comparison, most other DFT codes don't even report efficiency because they have difficulty scaling beyond use of a few processors.

It was really exciting to get to that point because it was unprecedented, said Gavini.

Recognition for a Math Milestone In late 2019, the group was named a finalist for a Gordon Bell award. It was the lab's first submission for the award that's the equivalent of a Nobel in high performance computing.

That provided a lot of visibility for our lab and our university, and I think this effort is just the beginning, Gavini said.

Indeed, since the competition, the lab pushed the code's performance to 64 petaflops and 38 percent efficiency on Summit. And it's already exploring its use on other systems and applications.

Seeking More Apps, Performance The initial work analyzed magnesium, a metal much lighter than the steel and aluminum used in cars and planes today, promising significant fuel savings. Last year, the lab teamed up with another group exploring how electrons move in DNA, work that could help other researchers develop more effective drugs.

The next big step is running the code on Perlmutter, a supercomputer using the latest NVIDIA A100 Tensor Core GPUs. Das reports he's already getting 4x speedups compared to the Summit GPUs thanks to the A100 GPUs' support for TensorFloat-32, a mixed-precision format that delivers both fast results and high accuracy.

The lab's program already offers 100x speedups compared to other DFT codes, but Gavini's not stopping there. He's already thinking about testing it on Fugaku, an Arm-based system that's currently the world's fastest supercomputer.

It's always exciting to see how far you can get, and there's always a next milestone. We see this as the beginning of a journey, he said.
LINK: https://blogs.nvidia.com/blog/2021/09/23/university-of-michigan-gpus-m...
See more stories from nvidia

Most recent headlines

06/10/2025

France Tlvisions Wins Prestigious 2025 EBU Technology & Innovation Award in Groundbreaking Collaboration with Dalet

France T l visions, France's leading broadcaster, has received the 2025 EBU ...

04/09/2025

Monumental Sports & Entertainment and Dalet Win Prestigious 2025 NAB Show Project of the Year Award

Monumental Sports & Entertainment (MSE), in collaboration with Dalet, has been a...

30/08/2025

FCC Slightly Raises Regulatory Fees for TV Stations

WASHINGTON The Federal Communications Commission has adopted its FY 2025 Regulatory Fees Order that establishes the regulatory fee rates for the broadcast stati...

29/08/2025

Australian Red Cross and SBS launch training to help workplaces in the fight against Modern Slavery

Australian Red Cross and SBS launch training to help workplaces in the fight aga...

29/08/2025

Call for entries is now open for the 19th Annual South African Film & Television Awards (SAFTAs19)

The National Film and Video Foundation (NFVF), an agency of the Department of Sp...

29/08/2025

L3Harris Launches Counter-Unmanned Systems Initiative

L3Harris Technologies has concentrated decades of expertise across the entire enterprise to develop affordable and reliable best-of-breed solutions to rapidly c...

29/08/2025

The CW Network Extends Pac-12 Deal Through 2030-31 Season

BURBANK, Calif. The CW Network and the Pac-12 Conference have announced a new media rights deal that will extend their broadcast partnership beginning with the ...

29/08/2025

Global FAST Channel Count Continues to Spike

NEW YORK Gracenote has released a new analysis of its global video dataset showing that the number of FAST channels grew nearly 14% from Q1 2025 and 76% since 2...

29/08/2025

Harmonic Unveils New Capabilities for Its Live Sports Streaming Solution

SAN JOSE, Calif. Harmonic has announced a series of improvements to its live sports streaming solution that the company said will improve fan engagement, protec...

29/08/2025

Youtube TV, Fox Settle Differences, Renew Carriage Agreement

NEW YORK and LOS ANGELES Fox Corp. and YouTube TV last night announced a renewal of the full portfolio of Fox networks, including Fox News Channel, Fox Business...

29/08/2025

Lightware MTR integration brings advanced flexibility and...

Budapest, Hungary, August 2025 - The integration of Microsoft Teams Rooms (MTR) with Lightware's Taurus universal matrix switchers delivers a new level of f...

29/08/2025

Frequency Launches Studio Live - a Unified Platform to Br...

Frequency, the engine behind many of the world's best-known streaming television channels, today announced it will launch Studio Live, a next-generation uni...

29/08/2025

Scality Day 2025 Celebrating 10 years of global innovatio...

In an era when AI and cyber resilience are essential, Scality will mark the 10th anniversary of Scality Day on October 16, 2025 in Paris. This flagship global e...

29/08/2025

Disguise Drives New Immersive Racing Experience - F1 Box

Disguise's In-House Creative and Technical Teams Pre-Visualised, Programmed and Delivered Content for the Experience, All Powered by EX 3+ Technology solu...

29/08/2025

Disguise Supports Fellow Entertainment Tech Leaders at IB...

Disguise will be demonstrating the latest workflows for TV, film and live events on a number of partner booths at the show Disguise, the industry-leading tech...

29/08/2025

Accedo to Highlight Compose AI-Agent Enhanced Orchestration Layer

STOCKHOLM, Sweden Accedo will showcase Accedo Compose, its AI agent-powered modular orchestration layer that assists streaming providers in transitioning client...

29/08/2025

Cineverse Launches Streaming Apps for In-Vehicle Video Streaming

LOS ANGELES Cineverse has announced that it is working with Xperi to bring four of its streaming channels to automobiles for the first time as part of the DTS A...

29/08/2025

Gray Media to Simulcast 17 Dallas Stars NHL Games

DALLAS & ATLANTA Gray Media has announced an agreement with the sports streaming service Victory+ to simulcast 17 Dallas Stars NHL games in 15 television market...

29/08/2025

Comcast NBCU and Amazon Ink New Distribution Agreements

NEW YORK AND CULVER CITY Comcast NBCUniversal and Amazon have announced new and extended distribution agreements that will expand the content available on their...

29/08/2025

RED Digital Cinema To Highlight Cine-Broadcast Module At IBC2025

FOOTHILL RANCH, Calif. RED Digital Cinema will feature its Cine-Broadcast Module supporting live broadcast workflows during IBC2025, Sept. 12-15, at the RAI Ams...

29/08/2025

Kyivstar Rings Opening Bell at Nasdaq Marking Landmark Listing and Highlighting Ukraine's Investment Case

29 Aug 2025 Kyivstar Rings Opening Bell at Nasdaq Marking Landmark Listing and ...

29/08/2025

Sky Sports to show more NFL games than ever as part of new rights agreement

More than half of all NFL games live on Sky for the first timeFriday 29 August 2025 Sky Sports has announced a new three-year deal with the NFL, extending its ...

29/08/2025

'RIV4LRIES': The Trailer of the New Series With Samuele Carrino Only on Netflix October 1

Back to All News RIV4LRIES: The Trailer of the New Series With Samuele Carrino ...

29/08/2025

Steps ahead: RT to air inspiring documentary on 12-year-old Irish dance star

Get ready for an inspiring and emotional insight into the world of competitive Irish dancing with My Story: Tomi Champion of the World airing on RT 2 this monda...

29/08/2025

TODAY WITH DAVID MCCULLAGH TO AIR ON RT RADIO 1 WEEKDAYS AT 10AM

RT has today announced that David McCullagh is to be the new presenter of RT Radio 1's flagship Today programme, which airs every weekday at 10am, replaci...

28/08/2025

Meet the 2025 Sundance Institute Documentary Edit Residency Artists

By Kristin Feeley, Director, Documentary Film & Artist Programs If you want to tell untold stories, if you want to give voice to the voiceless, you've got ...

28/08/2025

Watch These 9 Sundance Institute-Supported Documentaries That Spotlight Workers' Rights

Directed by Steven Bognar and Julia Reichert, Sundance Institute-supported Amer...

28/08/2025

Motivational Corridos: The New Sound of Resilience in Msica Mexicana

Corridos have been a cornerstone of M sica Mexicana for generations, telling stories rooted in everyday life. Now, a new chapter is taking shape: motivational c...

28/08/2025

Corridos Motivadores: El Nuevo Sonido de la Resiliencia en Mxico

Los corridos han sido un pilar de la M sica Mexicana durante generaciones, contando historias enraizadas en la vida cotidiana. Ahora, un nuevo cap tulo est tom...

28/08/2025

Verano Forever Brings Myke Towers, Bele, Elena Rose, and More to Miami for an Unforgettable Latin Summer Celebration

Earlier this month, we promised our Verano Forever party would bring the heat, a...

28/08/2025

Poland Selects L3Harris Electronic Warfare System for F-16 Fleet

L3Harris will provide the Polish F-16V fleet with the Viper Shield electronic warfare system as part of an upgrade program....

28/08/2025

AgileTV consolidates its technological leadership with the development of Lowi TV in Spain

Bilbao, August 26, 2025 - AgileTV, an international television and video technol...

28/08/2025

Craft Interview: Ken Wilkinson, Audio Engineer

Ken Wilkinson is an Emmy Awards nominated New York audio engineer who specialises in production sound mixing for film, commercial, episodic and documentary work...

28/08/2025

Fubo to Launch Fubo Sports Skinny Bundle for $56 Per Month

NEW YORK FuboTV today announced that it will launch Fubo Sports, a skinny bundle that focuses on sports with a subscription price of $56 monthly....

28/08/2025

Telestream to Launch 'Global Ingest Workflow at IBC2025

NEVADA City, Calif. At IBC2025, Sept. 12-15 at the RAI Amsterdam, Telestream will debut its new Global Ingest strategy, introducing a next-generation ingest arc...

28/08/2025

Dr. Rhoda Bernard Releases Groundbreaking Debut Book on Accessible Arts Education

Dr. Rhoda Bernard Releases Groundbreaking Debut Book on Accessible Arts Educatio...

28/08/2025

TAG Strengthens Regional Presence with Appointment of Oli...

TAG Video Systems, the leader in software-based IP end-to-end workflow monitoring, deep probing, and real-time visualization, has named Oliver Gappa as Sales Di...

28/08/2025

DHD to Demonstrate AI-Based Voice Enhancement at IBC 2025

AI-based voice enhancement will be among a series of innovations making their IBC 2025 debut on the DHD stand B46 in Hall 8 at the RAI Amsterdam Convention Cent...

28/08/2025

Telefonica Servicios Audiovisuales Hit the Back of the Ne...

Telef nica Servicios Audiovisuales (TSA), the leading system integrator and service provider in the media sector in Spain, with the support of Appear, the globa...

28/08/2025

Optical Media Anchors LiveU IQ into its On site Productio...

To fully immerse sailing fans in the world's biggest offshore yacht race, production company, Optical Media turned to LiveU's On-site Production solutio...

28/08/2025

WNED Adopts Calrec Type R console to weather any storm an...

Working with Calrec on its most recent overhaul, radio and television broadcaster, WNED has migrated to a fully IP infrastructure with multiple Type R consoles,...

28/08/2025

Cleeng unveils first ever free D2C subscription platform...

Cleeng, the Subscriber Retention Management (SRM ) inventor, has unveiled Cleeng Pro, the first-ever direct-to-consumer (D2C) subscription management platform t...

28/08/2025

Zixi and OKAST Partner to Power Scalable Global FAST Chan...

Zixi, the industry leader in live broadcast-quality video over IP, today announced that French media distribution platform OKAST has selected Zixi to enable rel...

28/08/2025

Nixer to unveil CV1 AoIP monitoring tool to address evolv...

Solution offers a streamlined, speaker-free architecture to optimize integration with premium external loudspeakers and advanced loudness metering Nixer Pro Au...

28/08/2025

Cinegy Announces Strategic Partnership with One Touch Pro...

Cinegy, the premier provider of software-defined television technology, has announced a strategic partnership with Vision One Touch Film Production Services L.L...

28/08/2025

Telestream Global Ingest Workflow Powered by Vantage Open...

Telestream, a global leader in media workflow technologies, will debut its new Global Ingest strategy at IBC2025, introducing a next-generation ingest architect...

28/08/2025

Telenor partners with Broadpeak for multi-country content...

Tier 1 operator selects Broadpeak to power high-performance, unified CDN solution across Norway, Sweden and Finland Broadpeak, a leader in streaming and moneti...

28/08/2025

24 Frames Digital goes live with Synamedia Quortex Play f...

Leading video software provider, Synamedia, today announced that 24 Frames Digital, one of India's leading live event streaming service providers, has chose...

28/08/2025

VisualOn at IBC 2025 - Whats Next in AI Powered Video Str...

Meet VisualOn at IBC2025: See What's Next in AI-Powered Video Streaming Join VisualOn at IBC2025 and discover how our AI-driven Optimizer and advanced media...