Stanford University and UberCloud Achieve Breakthrough in Living Heart Simulations

By Wolfgang Gentzsch, UberCloud, and Francisco Sahli, Stanford University

September 21, 2017

Cardiac arrhythmia can be an undesirable and potentially lethal side effect of drugs. During this condition, the electrical activity of the heart turns chaotic, decimating its pumping function, thus diminishing the circulation of blood through the body. Some kind of cardiac arrhythmia, if not treated with a defibrillator, will cause death within minutes.

Before a new drug reaches the market, pharmaceutical companies need to check for the risk of inducing arrhythmias. Currently, this process takes years and involves costly animal and human studies. In this project, the Living Matter Laboratory of Stanford University developed a new software tool enabling drug developers to quickly assess the viability of a new compound. This means better and safer drugs reaching the market to improve patients’ lives.

This research project has been performed by researchers from the Living Matter Laboratory at Stanford University, and supported by Living Heart Project members from SIMULIA, Hewlett Packard Enterprise, Advania, and UberCloud. It is based on the development of a Living Heart Model (LHM) that encompasses advanced electro-physiological modeling. The end goal is to create a biventricular finite element model to be used to study drug-induced arrhythmias of a human heart.

The Living Heart Project is uniting leading cardiovascular researchers, educators, medical device developers, regulatory agencies, and practicing cardiologists around the world on a shared mission to develop and validate highly accurate personalized digital human heart models. These models will establish a unified foundation for cardiovascular in silico medicine and serve as a common technology base for education and training, medical device design, testing, clinical diagnosis and regulatory science —creating an effective path for rapidly translating current and future cutting-edge innovations directly into improved patient care.

The Stanford team in conjunction with SIMULIA have developed a multi-scale 3-dimensional model of the heart that can predict the risk of this lethal arrhythmias caused by drugs. The team added capabilities to the Living Heart Model to include highly detailed cellular models, to differentiate cell types within the tissue and to compute electro-cardiograms (ECGs). This model is now able to bridge the gap between the effect of drugs at the cellular level to the chaotic electrical propagation that a patient would experience at the organ level.

A computational model that is able to assess the response of new drug compounds rapidly and inexpensively is of great interest for pharmaceutical companies, doctors, and patients. Such a tool will increase the number of successful drugs that reach the market, while decreasing cost and time to develop them, and thus help hundreds of thousands of patients in the future. However, the creation of a suitable model requires taking a multiscale approach that is computationally expensive: the electrical activity of cells is modelled in high detail and resolved simultaneously in the entire heart. Due to the fast dynamics that occur in this problem, the spatial and temporal resolutions are highly demanding.

Figure 1: Tetrahedral mesh (left) and cube mesh (right)

During the preparation and Proof of Concept phase (UberCloud Experiment 196), we set out to build and calibrate the healthy baseline case, which we then used to perturb with different drugs. After creating the UberCloud software container for SIMULIA’s Abaqus 2017 and deploying it on the HPE server in the Advania cloud, we started refining the computational mesh which consisted of roughly 5 million tetrahedral elements and 1 million nodes. Due to the intricate geometry of the heart, the mesh quality limited the time step, which in this case was 0.0012 ms for a total simulation time of 5000 ms. After realizing that it would be very difficult to calibrate our model with such a big runtime, we decided to work on our mesh, which was the current bottleneck to speed up our model. We created a mesh that was made out of cube elements (Figure 1). With this approach, we lost the smoothness of the outer surface, but reduced the number of elements by a factor of ten and increased the time step by a factor of four, for the same element size (0.7 mm). With a much faster model, we were able to calibrate the healthy, baseline case, which was assessed by electro-cardiogram (ECG) tracing (Figure 2) that recapitulates the essential features.

Figure 2: ECG tracing for the healthy, baseline case

During the final production phase, we have adapted all features of the model to a finer mesh with now 7.5 million nodes and 250,000,000 internal variables that are updated and stored within each step of the simulation. We have run 42 simulations to study whether a drug causes arrhythmias or not. With all the changes above we were able to speed up one simulation by a factor of 27 which then (still) took 40 hours using 160 CPU cores on Advania’s HPE system equipped with latest Intel Broadwell E5-2683v4 nodes and Intel OmniPath interconnect. In these simulations, we applied the drugs by blocking different ionic currents in our cellular model, replicating what is observed in cellular experiments. For each case, we let the heart beat naturally and see if the arrhythmia is developed.

Figure 3: Evolution of the electrical activity for the baseline case (no drug) and after the application of Quinidine. The electrical propagation turns chaotic after the drug is applied, showing the high risk of Quinidine to produce arrhythmias.

Figure 3 shows the application of the drug Quinidine, which is an anti-arrhythmic agent, but it has a high risk of producing Torsades de Points, which is a particular type of arrhythmia. It shows the electrical transmembrane potentials of a healthy versus a pathological heart that has been widely used in studies of normal and pathological heart rhythms and defibrillation. The propagation of the electrical potential turns chaotic (Figure 3, bottom) when compared to the baseline case (Figure 3, top), showing that our model is able to correctly and reliably predict the anti-arrhythmic risk of commonly used drugs. We envision that our model will help researchers, regulatory agencies, and pharmaceutical companies rationalize safe drug development and reduce the time-to-market of new drugs.

Acknowledgement: The authors are deeply grateful for the support from Hewlett Packard Enterprise (the Sponsor), Dassault Systemes SIMULIA (for Abaqus 2017), Advania (providing HPC Cloud resources), and the UberCloud tech team for containerizing Abaqus and integrating all software and hardware components into one seamless solution stack.

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!

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

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

HPC Career Notes: July 2020 Edition

July 1, 2020

In this monthly feature, we'll keep you up-to-date on the latest career developments for individuals in the high-performance computing community. Whether it's a promotion, new company hire, or even an accolade, we've got Read more…

By Mariana Iriarte

Supercomputers Enable Radical, Promising New COVID-19 Drug Development Approach

July 1, 2020

Around the world, innumerable supercomputers are sifting through billions of molecules in a desperate search for a viable therapeutic to treat COVID-19. Those molecules are pulled from enormous databases of known compoun Read more…

By Oliver Peckham

HPC-Powered Simulations Reveal a Looming Climatic Threat to Vital Monsoon Seasons

June 30, 2020

As June draws to a close, eyes are turning to the latter half of the year – and with it, the monsoon and hurricane seasons that can prove vital or devastating for many of the world’s coastal communities. Now, climate 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…

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 year is no different though the conversion of ISC to a digital Read more…

By John Russell

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

Hoefler’s Whirlwind ISC20 Virtual Tour of ML Trends in 9 Slides

June 23, 2020

The ISC20 experience this year via livestreaming and pre-recordings is interesting and perhaps a bit odd. That said presenters’ efforts to condense their comments makes for economic use of your time. Torsten Hoefler’s whirlwind 12-minute tour of ML is a great example. Hoefler, leader of the planned ISC20 Machine Learning... Read more…

By John Russell

At ISC, the Fight Against COVID-19 Took the Stage – and Yes, Fugaku Was There

June 23, 2020

With over nine million infected and nearly half a million dead, the COVID-19 pandemic has seized the world’s attention for several months. It has also dominat 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

Contributors

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

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

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

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

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

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