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!

Russian Supercomputer Employed to Develop COVID-19 Treatment

March 31, 2020

From Summit to [email protected], global supercomputing is continuing to mobilize against the coronavirus pandemic by crunching massive problems like epidemiology, therapeutic development and vaccine development. The latest a Read more…

By Staff report

What’s New in HPC Research: Supersonic Jets, Skin Modeling, Astrophysics & More

March 31, 2020

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

Pandemic ‘Wipes Out’ 2020 HPC Market Growth, Flat to 12% Drop Expected

March 31, 2020

As the world battles the still accelerating novel coronavirus, the HPC community has mounted a forceful response to the pandemic on many fronts. But these efforts won't inoculate the HPC industry from the economic effects of COVID-19. Market watcher Intersect360 Research has revised its 2020 forecast for HPC products and services, projecting... Read more…

By Tiffany Trader

LLNL Leverages Supercomputing to Identify COVID-19 Antibody Candidates

March 30, 2020

As COVID-19 sweeps the globe to devastating effect, supercomputers around the world are spinning up to fight back by working on diagnosis, epidemiology, treatment and vaccine development. Now, Lawrence Livermore National Read more…

By Staff report

Weather at Exascale: Load Balancing for Heterogeneous Systems

March 30, 2020

The first months of 2020 were dominated by weather and climate supercomputing news, with major announcements coming from the UK, the European Centre for Medium-Range Weather Forecasts and the U.S. National Oceanic and At Read more…

By Oliver Peckham

AWS Solution Channel

Amazon FSx for Lustre Update: Persistent Storage for Long-Term, High-Performance Workloads

Last year I wrote about Amazon FSx for Lustre and told you how our customers can use it to create pebibyte-scale, highly parallel POSIX-compliant file systems that serve thousands of simultaneous clients driving millions of IOPS (Input/Output Operations per Second) with sub-millisecond latency. Read more…

Q&A Part Two: ORNL’s Pooser on Progress in Quantum Communication

March 30, 2020

Quantum computing seems to get more than its fair share of attention compared to quantum communication. That’s despite the fact that quantum networking may be nearer to becoming a practical reality. In this second inst Read more…

By John Russell

Pandemic ‘Wipes Out’ 2020 HPC Market Growth, Flat to 12% Drop Expected

March 31, 2020

As the world battles the still accelerating novel coronavirus, the HPC community has mounted a forceful response to the pandemic on many fronts. But these efforts won't inoculate the HPC industry from the economic effects of COVID-19. Market watcher Intersect360 Research has revised its 2020 forecast for HPC products and services, projecting... Read more…

By Tiffany Trader

Weather at Exascale: Load Balancing for Heterogeneous Systems

March 30, 2020

The first months of 2020 were dominated by weather and climate supercomputing news, with major announcements coming from the UK, the European Centre for Medium- Read more…

By Oliver Peckham

Q&A Part Two: ORNL’s Pooser on Progress in Quantum Communication

March 30, 2020

Quantum computing seems to get more than its fair share of attention compared to quantum communication. That’s despite the fact that quantum networking may be Read more…

By John Russell

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

[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

Conversation: ANL’s Rick Stevens on DoE’s AI for Science Project

March 23, 2020

With release of the Department of Energy’s AI for Science report in late February, the effort to build a national AI program, modeled loosely on the U.S. Exascale Initiative, enters a new phase. Project leaders have already had early discussions with Congress... Read more…

By John Russell

Servers Headed to Junkyard Find 2nd Life Fighting Cancer in Clusters

March 20, 2020

Ottawa-based charitable organization Cancer Computer is on a mission to stamp out cancer and other life-threatening diseases, including coronavirus, by putting Read more…

By Tiffany Trader

Kubernetes and HPC Applications in Hybrid Cloud Environments – Part II

March 19, 2020

With the rise of cloud services, CIOs are recognizing that applications, middleware, and infrastructure running in various compute environments need a common management and operating model. Maintaining different application and middleware stacks on-premises and in cloud environments, by possibly using different specialized infrastructure and application... Read more…

By Daniel Gruber,Burak Yenier and Wolfgang Gentzsch, UberCloud

[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

Julia Programming’s Dramatic Rise in HPC and Elsewhere

January 14, 2020

Back in 2012 a paper by four computer scientists including Alan Edelman of MIT introduced Julia, A Fast Dynamic Language for Technical Computing. At the time, t Read more…

By John Russell

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

[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

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

Fujitsu A64FX Supercomputer to Be Deployed at Nagoya University This Summer

February 3, 2020

Japanese tech giant Fujitsu announced today that it will supply Nagoya University Information Technology Center with the first commercial supercomputer powered Read more…

By Tiffany Trader

Tech Conferences Are Being Canceled Due to Coronavirus

March 3, 2020

Several conferences scheduled to take place in the coming weeks, including Nvidia’s GPU Technology Conference (GTC) and the Strata Data + AI conference, have Read more…

By Alex Woodie

Leading Solution Providers

SC 2019 Virtual Booth Video Tour

AMD
AMD
ASROCK RACK
ASROCK RACK
AWS
AWS
CEJN
CJEN
CRAY
CRAY
DDN
DDN
DELL EMC
DELL EMC
IBM
IBM
MELLANOX
MELLANOX
ONE STOP SYSTEMS
ONE STOP SYSTEMS
PANASAS
PANASAS
SIX NINES IT
SIX NINES IT
VERNE GLOBAL
VERNE GLOBAL
WEKAIO
WEKAIO

Cray to Provide NOAA with Two AMD-Powered Supercomputers

February 24, 2020

The United States’ National Oceanic and Atmospheric Administration (NOAA) last week announced plans for a major refresh of its operational weather forecasting supercomputers, part of a 10-year, $505.2 million program, which will secure two HPE-Cray systems for NOAA’s National Weather Service to be fielded later this year and put into production in early 2022. Read more…

By Tiffany Trader

Exascale Watch: El Capitan Will Use AMD CPUs & GPUs to Reach 2 Exaflops

March 4, 2020

HPE and its collaborators reported today that El Capitan, the forthcoming exascale supercomputer to be sited at Lawrence Livermore National Laboratory and serve 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

IBM Unveils Latest Achievements in AI Hardware

December 13, 2019

“The increased capabilities of contemporary AI models provide unprecedented recognition accuracy, but often at the expense of larger computational and energet Read more…

By Oliver Peckham

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

IBM Debuts IC922 Power Server for AI Inferencing and Data Management

January 28, 2020

IBM today launched a Power9-based inference server – the IC922 – that features up to six Nvidia T4 GPUs, PCIe Gen 4 and OpenCAPI connectivity, and can accom Read more…

By John Russell

University of Stuttgart Inaugurates ‘Hawk’ Supercomputer

February 20, 2020

This week, the new “Hawk” supercomputer was inaugurated in a ceremony at the High-Performance Computing Center of the University of Stuttgart (HLRS). Offici Read more…

By Staff report

Summit Joins the Fight Against the Coronavirus

March 6, 2020

With the coronavirus sweeping the globe, tech conferences and supply chains are being hit hard – but now, tech is hitting back. Oak Ridge National Laboratory 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