Click here to close now.



Welcome!

Linux Containers Authors: Elizabeth White, Pat Romanski, Liz McMillan, John Esposito, Flint Brenton

News Feed Item

Cycle Computing Ramps Global 50,000-Core Cluster for Schrodinger Molecular Research

Utility Supercomputing Leader Facilitates Massive Cluster for Computational Drug Discovery

NEW YORK, NY -- (Marketwire) -- 04/19/12 -- Cycle Computing provisioned a 50,000-core utility supercomputer in the Amazon Web Services (AWS) cloud for Schrödinger and Nimbus Discovery to accelerate lead identification via virtual screening. This milestone -- the largest of its kind -- is Cycle Computing's fifth massive cluster in less than two years on the heels of a 30,000 cluster in October 2011, illustrating Cycle's continued leadership in delivering full-featured and scalable cluster deployments. Cycle Computing revealed the cluster creation during today's opening keynote at the AWS Summit in New York City.

Schrödinger's widely used computational docking application, Glide, performs high-throughput virtual screening of compound libraries for identification of drug discovery leads. Computing resource and time constraints traditionally limit the extent with which ligand conformations can be explored, potentially leading to false negative while the same constraints may require a less accurate level of scoring, which can lead to false positives. Tapping into Cycle's utility supercomputing, Schrödinger ran a virtual screen in collaboration with Nimbus Discovery of 21 million compounds against a protein target. The run required 12.5 processor years and completed in less than three hours.

"Typically, we have to weigh tradeoffs between time and accuracy in a project," said Ramy Farid, President, Schrödinger. "With Cycle's utility supercomputing, we didn't have to compromise the accuracy in favor of faster throughput, and we were able to run the virtual screen using the appropriate levels of scoring and sampling."

The global 50,000-core cluster was run with CycleCloud, Cycle's flagship HPC in the cloud service that runs on AWS. Replicating data across seven AWS regions while automating provisioned resources, CycleCloud run time per job averaged 11 minutes and the total work completed topped 100,000 hours. Schrödinger's researchers completed over 4,480 days of work, nearing 12.5 years of computations in a few hours, with cost under $4,900 per hour at peak requiring no upfront capital.

"By leveraging AWS, Cycle Computing is able to perform highly sophisticated computations in minutes at a fraction of what it would cost for businesses to purchase the high performance computing infrastructure themselves," said Terry Wise, Director of Business Development, Amazon Web Services. "Cycle Computing brings an incredible amount of innovation to our partner ecosystem and we're excited to continue working with them to enable businesses to take advantage of AWS's highly scalable, elastic and low cost technology infrastructure."

Cluster and performance analytics software CycleServer tracked utilization, diagnosed performance and managed scientific workflow. Replicating the success of employing next generation developments, Cycle engineers continued open source strategies, including Condor, Linux, and Opscode's Chef cloud infrastructure automation system. Cycle's Chef monitoring and analytics plug-in, called Grill, provided visualization into scaling the infrastructure environment and eliminated the need for additional Chef servers with alert technology supporting data around installations, driving down preparation and operational overhead.

Leveraging CycleCloud software and Cycle's HPC proficiency delivered these stats:

  • Infrastructure: 6,742 Amazon EC2 instances /58.79 TB RAM
  • Global-scale: Multi-datacenter clusters with simple user interfaces
  • Cluster Size: 51,132 cores, 58.78TB RAM
  • Security: Engineered with HTTPS, SSH & 256-bit AES encryption
  • AWS Regions:7 (us-east, us-west1, us-west2, eu-west, sa-east, ap-northeast, ap-southeast )

The end-user experience for using CycleCloud is:

  • User Effort: One-click global cluster at massive scale
  • Start-up Time: Thousands of cores in minutes, full cluster in 2 hours
  • Up-front Capital Investment: $0
  • Total Infrastructure Cost: $4,828.85/hour

"Researchers can now meet their aspirations and bottom line through secure, mega-elastic and fully-supported utility supercomputers," said Jason Stowe, founder and CEO, Cycle Computing. "By harvesting the raw infrastructure from AWS, we empower Schrödinger's scientific accuracy while allowing them to push the boundaries of computation research. Creating robust, reliable and importantly repeatable supercomputers means any industry from life sciences, risk management, quantitative finance to product design can reap the benefits as we tip the scales towards the next generation of massive clusters."

To learn more about the development of the 50,000 core-cluster and Cycle's projects leading up to this accomplishment, please visit the Cycle Computing blog: Compute Cycles (http://blog.cyclecomputing.com/).

About Schrödinger:
Schrödinger is a scientific leader in developing state-of-the-art simulation software for use in pharmaceutical and biotechnology research. The Company's products range from a complete suite of drug design software employing both ligand- and structure-based methods to general molecular modeling programs. Additionally, the Seurat platform provides enterprise-wide data management, sharing, and visualization. Most recently, Schrödinger debuted BioLuminate for modeling biologics. The predictive power of Schrödinger's software allows scientists to accelerate their research and development, reduce costs, and make novel discoveries. Schrödinger operates from locations in New York, Oregon, California, Massachusetts, Maryland, Germany, the UK, and Japan. For more information, visit www.schrodinger.com.

About Nimbus:
Nimbus Discovery is applying advances in computer-based drug discovery to develop new medicines against important drug targets and thereby unlock fundamental biological pathways. Nimbus has established a first-of-its-kind partnership with Schrödinger, the leader in computational drug discovery, to gain privileged access to cutting-edge technology and exclusive rights to key targets. Nimbus has already delivered selective, potent, and differentiated compounds within the first year for two disease targets that are pivotal in the progression of an aggressive form of Non-Hodgkin's lymphoma and obesity, respectively. Nimbus has built a virtually integrated, globally distributed R&D organization that leverages an experienced internal drug discovery team across an external network of R&D partners. The resulting organization is scalable, capital efficient and has attracted world-class talent. Nimbus seeks to partner its programs with larger pharmaceutical companies early in the development process allowing Nimbus to focus on its competitive advantage in novel drug discovery. Nimbus programs are held in target-specific subsidiaries under an LLC umbrella. Nimbus Discovery was founded in 2009 by Atlas Venture and Schrödinger, Inc. In 2010, Nimbus received three Qualifying Therapeutic Discovery Project Tax Credit (QTDP) grants for its programs. For more information please visit www.nimbusdiscovery.com.

About Cycle Computing:
Cycle Computing is the leader in Utility Supercomputing software. As a bootstrapped, profitable software company, Cycle delivers proven, secure and flexible high performance computing (HPC) and data solutions since 2005. Cycle helps clients maximize existing infrastructure and speed computations on servers, VMs, and on-demand in the cloud. Our products help clients maximize internal infrastructure and increase power as research demands, like the 10000-core cluster for Genentech and the 30000+ core cluster for a Top 5 Pharma that were covered in Wired, TheRegister, BusinessWeek, Bio-IT World, and Forbes. Starting with three initial Fortune 100 clients, Cycle has grown to deploy proven implementations at Fortune 500s, SMBs and government and academic institutions including JP Morgan Chase, Purdue University, Pfizer and Lockheed Martin.

About Amazon Web Services:
Launched in 2006, Amazon Web Services (AWS) began exposing key infrastructure services to businesses in the form of web services -- now widely known as cloud computing. The ultimate benefit of cloud computing, and AWS, is the ability to leverage a new business model and turn capital infrastructure expenses into variable costs. Businesses no longer need to plan and procure servers and other IT resources weeks or months in advance. Using AWS, businesses can take advantage of Amazon's expertise and economies of scale to access resources when their business needs them, delivering results faster and at a lower cost. Today, Amazon Web Services provides a highly reliable, scalable, low-cost infrastructure platform in the cloud that powers hundreds of thousands of enterprise, government and startup customers businesses in 190 countries around the world. AWS offers over 28 different services, including Amazon Elastic Compute Cloud (Amazon EC2), Amazon Simple Storage Service (Amazon S3) and Amazon Relational Database Service (Amazon RDS). AWS services are available to customers from data center locations in the U.S., Brazil, Europe, Japan and Singapore.

Media Contact:
Laura Anderson
Articulate Communications Inc.
Email Contact
212.255.0080, ext. 11

More Stories By Marketwired .

Copyright © 2009 Marketwired. All rights reserved. All the news releases provided by Marketwired are copyrighted. Any forms of copying other than an individual user's personal reference without express written permission is prohibited. Further distribution of these materials is strictly forbidden, including but not limited to, posting, emailing, faxing, archiving in a public database, redistributing via a computer network or in a printed form.

@ThingsExpo Stories
"delaPlex is a software development company. We do team-based outsourcing development," explained Mark Rivers, COO and Co-founder of delaPlex Software, in this SYS-CON.tv interview at 18th Cloud Expo, held June 7-9, 2016, at the Javits Center in New York City, NY.
IoT is rapidly changing the way enterprises are using data to improve business decision-making. In order to derive business value, organizations must unlock insights from the data gathered and then act on these. In their session at @ThingsExpo, Eric Hoffman, Vice President at EastBanc Technologies, and Peter Shashkin, Head of Development Department at EastBanc Technologies, discussed how one organization leveraged IoT, cloud technology and data analysis to improve customer experiences and effi...
The IoT is changing the way enterprises conduct business. In his session at @ThingsExpo, Eric Hoffman, Vice President at EastBanc Technologies, discussed how businesses can gain an edge over competitors by empowering consumers to take control through IoT. He cited examples such as a Washington, D.C.-based sports club that leveraged IoT and the cloud to develop a comprehensive booking system. He also highlighted how IoT can revitalize and restore outdated business models, making them profitable ...
There are several IoTs: the Industrial Internet, Consumer Wearables, Wearables and Healthcare, Supply Chains, and the movement toward Smart Grids, Cities, Regions, and Nations. There are competing communications standards every step of the way, a bewildering array of sensors and devices, and an entire world of competing data analytics platforms. To some this appears to be chaos. In this power panel at @ThingsExpo, moderated by Conference Chair Roger Strukhoff, Bradley Holt, Developer Advocate a...
A strange thing is happening along the way to the Internet of Things, namely far too many devices to work with and manage. It has become clear that we'll need much higher efficiency user experiences that can allow us to more easily and scalably work with the thousands of devices that will soon be in each of our lives. Enter the conversational interface revolution, combining bots we can literally talk with, gesture to, and even direct with our thoughts, with embedded artificial intelligence, wh...
Machine Learning helps make complex systems more efficient. By applying advanced Machine Learning techniques such as Cognitive Fingerprinting, wind project operators can utilize these tools to learn from collected data, detect regular patterns, and optimize their own operations. In his session at 18th Cloud Expo, Stuart Gillen, Director of Business Development at SparkCognition, discussed how research has demonstrated the value of Machine Learning in delivering next generation analytics to imp...
The cloud market growth today is largely in public clouds. While there is a lot of spend in IT departments in virtualization, these aren’t yet translating into a true “cloud” experience within the enterprise. What is stopping the growth of the “private cloud” market? In his general session at 18th Cloud Expo, Nara Rajagopalan, CEO of Accelerite, explored the challenges in deploying, managing, and getting adoption for a private cloud within an enterprise. What are the key differences between wh...
Connected devices and the industrial internet are growing exponentially every year with Cisco expecting 50 billion devices to be in operation by 2020. In this period of growth, location-based insights are becoming invaluable to many businesses as they adopt new connected technologies. Knowing when and where these devices connect from is critical for a number of scenarios in supply chain management, disaster management, emergency response, M2M, location marketing and more. In his session at @Th...
Basho Technologies has announced the latest release of Basho Riak TS, version 1.3. Riak TS is an enterprise-grade NoSQL database optimized for Internet of Things (IoT). The open source version enables developers to download the software for free and use it in production as well as make contributions to the code and develop applications around Riak TS. Enhancements to Riak TS make it quick, easy and cost-effective to spin up an instance to test new ideas and build IoT applications. In addition to...
When people aren’t talking about VMs and containers, they’re talking about serverless architecture. Serverless is about no maintenance. It means you are not worried about low-level infrastructural and operational details. An event-driven serverless platform is a great use case for IoT. In his session at @ThingsExpo, Animesh Singh, an STSM and Lead for IBM Cloud Platform and Infrastructure, will detail how to build a distributed serverless, polyglot, microservices framework using open source tec...
Apixio Inc. has raised $19.3 million in Series D venture capital funding led by SSM Partners with participation from First Analysis, Bain Capital Ventures and Apixio’s largest angel investor. Apixio will dedicate the proceeds toward advancing and scaling products powered by its cognitive computing platform, further enabling insights for optimal patient care. The Series D funding comes as Apixio experiences strong momentum and increasing demand for its HCC Profiler solution, which mines unstruc...
IoT offers a value of almost $4 trillion to the manufacturing industry through platforms that can improve margins, optimize operations & drive high performance work teams. By using IoT technologies as a foundation, manufacturing customers are integrating worker safety with manufacturing systems, driving deep collaboration and utilizing analytics to exponentially increased per-unit margins. However, as Benoit Lheureux, the VP for Research at Gartner points out, “IoT project implementers often ...
It is one thing to build single industrial IoT applications, but what will it take to build the Smart Cities and truly society changing applications of the future? The technology won’t be the problem, it will be the number of parties that need to work together and be aligned in their motivation to succeed. In his Day 2 Keynote at @ThingsExpo, Henrik Kenani Dahlgren, Portfolio Marketing Manager at Ericsson, discussed how to plan to cooperate, partner, and form lasting all-star teams to change t...
In his general session at 18th Cloud Expo, Lee Atchison, Principal Cloud Architect and Advocate at New Relic, discussed cloud as a ‘better data center’ and how it adds new capacity (faster) and improves application availability (redundancy). The cloud is a ‘Dynamic Tool for Dynamic Apps’ and resource allocation is an integral part of your application architecture, so use only the resources you need and allocate /de-allocate resources on the fly.
In his keynote at 18th Cloud Expo, Andrew Keys, Co-Founder of ConsenSys Enterprise, provided an overview of the evolution of the Internet and the Database and the future of their combination – the Blockchain. Andrew Keys is Co-Founder of ConsenSys Enterprise. He comes to ConsenSys Enterprise with capital markets, technology and entrepreneurial experience. Previously, he worked for UBS investment bank in equities analysis. Later, he was responsible for the creation and distribution of life sett...
Presidio has received the 2015 EMC Partner Services Quality Award from EMC Corporation for achieving outstanding service excellence and customer satisfaction as measured by the EMC Partner Services Quality (PSQ) program. Presidio was also honored as the 2015 EMC Americas Marketing Excellence Partner of the Year and 2015 Mid-Market East Partner of the Year. The EMC PSQ program is a project-specific survey program designed for partners with Service Partner designations to solicit customer feedbac...
Cloud computing is being adopted in one form or another by 94% of enterprises today. Tens of billions of new devices are being connected to The Internet of Things. And Big Data is driving this bus. An exponential increase is expected in the amount of information being processed, managed, analyzed, and acted upon by enterprise IT. This amazing is not part of some distant future - it is happening today. One report shows a 650% increase in enterprise data by 2020. Other estimates are even higher....
SYS-CON Events announced today that Bsquare has been named “Silver Sponsor” of SYS-CON's @ThingsExpo, which will take place on November 1–3, 2016, at the Santa Clara Convention Center in Santa Clara, CA. For more than two decades, Bsquare has helped its customers extract business value from a broad array of physical assets by making them intelligent, connecting them, and using the data they generate to optimize business processes.
Internet of @ThingsExpo, taking place November 1-3, 2016, at the Santa Clara Convention Center in Santa Clara, CA, is co-located with 19th Cloud Expo and will feature technical sessions from a rock star conference faculty and the leading industry players in the world. The Internet of Things (IoT) is the most profound change in personal and enterprise IT since the creation of the Worldwide Web more than 20 years ago. All major researchers estimate there will be tens of billions devices - comp...
19th Cloud Expo, taking place November 1-3, 2016, at the Santa Clara Convention Center in Santa Clara, CA, will feature technical sessions from a rock star conference faculty and the leading industry players in the world. Cloud computing is now being embraced by a majority of enterprises of all sizes. Yesterday's debate about public vs. private has transformed into the reality of hybrid cloud: a recent survey shows that 74% of enterprises have a hybrid cloud strategy. Meanwhile, 94% of enterpri...