Schrödinger Partners with Cycle Computing to Accelerate Materials Simulation

March 28, 2014

NEW YORK, N.Y., March 28 — Schrödinger, LLC and Cycle Computing, LLC announced today a partnership that will allow customers to run Schrödinger’s Materials Science Suite on the Cloud and elastic resources worldwide using Cycle Computing’s CycleCloudä orchestration software. Cloud Computing provides users timely access to scalable computational resources as needed, without prohibitive upfront capital investment in infrastructure. Cycle Computing and Schrödinger have worked together on enabling many customer production workloads in the cloud, including the world’s largest and fastest cloud computing run of more than 156,000 cores called the MegaRun in late 2013.

“Working with Cycle Computing to extend the deployment of our predictive materials science software onto the cloud provides our customers secure, flexible, and timely access to larger-scale simulations,” says Dr. Mathew D. Halls, Schrödinger’s Director of Materials Science, who adds, “these simulations will greatly accelerate our users’ efforts to discover, analyze, and optimize materials.”

While running applications like Schrödinger’s in the cloud is extremely flexible and cost-effective, technical challenges remain, including application onboarding, security, and data management. After working together for several years, Cycle Computing software enables Schrödinger to safely and easily deploy workloads in the cloud, allowing Schrödinger users access to massive-scale cloud resources on demand.

“Schrödinger’s reputation for state-of-the-art computational simulations is unrivaled, and we’re very happy to continue our partnership in delivering real-time solutions to our users,” said Jason Stowe, Cycle Computing’s CEO. “We’re seeing that greater access to computing power through the Cloud is accelerating engineering and scientific efforts like never before, and are excited to work with Schrödinger to bring this advantage to materials science researchers.”

During the record-breaking MegaRun, Professor Mark Thompson at the University of Southern California (USC) completed the largest cloud-computing run in the world, using Schrödinger’s software running on the CycleCloud platform. Professor Thompson calculated the optoelectronic properties for 205,000 materials with potential application in organic photovoltaic devices. The run used a maximum of 156,000+ CPU-cores completing 264 CPU-years of simulation in less than 18 hours.

Visit www.cyclecomputing.com/cloud-ready-schrodinger/ for more information.

About Schrödinger

Schrödinger makes significant investments in R&D, which has led to major advances in the field of computational chemistry; it has achieved breakthroughs in quantum chemistry, molecular modeling, force fields, molecular dynamics, protein structure determination, scoring, and virtual screening. The company’s full product offerings range from general molecular modeling programs to a comprehensive suite of drug design software. Besides the company’s industry-leading drug discovery solutions, Schrödinger is actively developing state-of-the art simulation tools for materials research as well as enterprise software that can be deployed throughout an entire research organization. Schrödinger’s methods development and applications papers have thousands of citations and are often among the most-cited scientific publications. Schrödinger’s science is continually validated internally and by its users worldwide. Founded in 1990, Schrödinger has operations in the United States as well as in Europe, India, and Japan. For more information, please visit http://www.schrodinger.com.

About Cycle Computing

Cycle Computing is the leader in cloud computing and Utility HPC (high performance computing) software, which enables greater access to computing over the cloud. Cycle Computing software CycleServerä, CycleCloudä, and DataManagerä, represent the enabling force that helps users easily connect to greater computing power using public and private clouds. The company believes that utility access to HPC will lead to a new era in accelerated invention and discovery. Since 2005, starting with three initial Fortune 100 clients, Cycle Computing has grown to deploy proven implementations at Fortune 500s, SMBs and government and academic institutions including JP Morgan Chase, Purdue University, Pfizer, The Aerospace Corporation, and Lockheed Martin.

—–

Source: Cycle Computing

 

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!

Data Vortex Users Contemplate the Future of Supercomputing

October 19, 2017

Last month (Sept. 11-12), HPC networking company Data Vortex held its inaugural users group at Pacific Northwest National Laboratory (PNNL) bringing together about 30 participants from industry, government and academia t Read more…

By Tiffany Trader

AI Self-Training Goes Forward at Google DeepMind

October 19, 2017

DeepMind, Google’s AI research organization, announced today in a blog that AlphaGo Zero, the latest evolution of AlphaGo (the first computer program to defeat a Go world champion) trained itself within three days to play Go at a superhuman level (i.e., better than any human) – and to beat the old version of AlphaGo – without leveraging human expertise, data or training. Read more…

By Doug Black

Researchers Scale COSMO Climate Code to 4888 GPUs on Piz Daint

October 17, 2017

Effective global climate simulation, sorely needed to anticipate and cope with global warming, has long been computationally challenging. Two of the major obstacles are the needed resolution and prolonged time to compute Read more…

By John Russell

HPE Extreme Performance Solutions

Transforming Genomic Analytics with HPC-Accelerated Insights

Advancements in the field of genomics are revolutionizing our understanding of human biology, rapidly accelerating the discovery and treatment of genetic diseases, and dramatically improving human health. Read more…

Student Cluster Competition Coverage New Home

October 16, 2017

Hello computer sports fans! This is the first of many (many!) articles covering the world-wide phenomenon of Student Cluster Competitions. Finally, the Student Cluster Competition coverage has come to its natural home: H Read more…

By Dan Olds

Data Vortex Users Contemplate the Future of Supercomputing

October 19, 2017

Last month (Sept. 11-12), HPC networking company Data Vortex held its inaugural users group at Pacific Northwest National Laboratory (PNNL) bringing together ab Read more…

By Tiffany Trader

AI Self-Training Goes Forward at Google DeepMind

October 19, 2017

DeepMind, Google’s AI research organization, announced today in a blog that AlphaGo Zero, the latest evolution of AlphaGo (the first computer program to defeat a Go world champion) trained itself within three days to play Go at a superhuman level (i.e., better than any human) – and to beat the old version of AlphaGo – without leveraging human expertise, data or training. Read more…

By Doug Black

Student Cluster Competition Coverage New Home

October 16, 2017

Hello computer sports fans! This is the first of many (many!) articles covering the world-wide phenomenon of Student Cluster Competitions. Finally, the Student Read more…

By Dan Olds

Intel Delivers 17-Qubit Quantum Chip to European Research Partner

October 10, 2017

On Tuesday, Intel delivered a 17-qubit superconducting test chip to research partner QuTech, the quantum research institute of Delft University of Technology (TU Delft) in the Netherlands. The announcement marks a major milestone in the 10-year, $50-million collaborative relationship with TU Delft and TNO, the Dutch Organization for Applied Research, to accelerate advancements in quantum computing. Read more…

By Tiffany Trader

Fujitsu Tapped to Build 37-Petaflops ABCI System for AIST

October 10, 2017

Fujitsu announced today it will build the long-planned AI Bridging Cloud Infrastructure (ABCI) which is set to become the fastest supercomputer system in Japan Read more…

By John Russell

HPC Chips – A Veritable Smorgasbord?

October 10, 2017

For the first time since AMD's ill-fated launch of Bulldozer the answer to the question, 'Which CPU will be in my next HPC system?' doesn't have to be 'Whichever variety of Intel Xeon E5 they are selling when we procure'. Read more…

By Dairsie Latimer

Delays, Smoke, Records & Markets – A Candid Conversation with Cray CEO Peter Ungaro

October 5, 2017

Earlier this month, Tom Tabor, publisher of HPCwire and I had a very personal conversation with Cray CEO Peter Ungaro. Cray has been on something of a Cinderell Read more…

By Tiffany Trader & Tom Tabor

Intel Debuts Programmable Acceleration Card

October 5, 2017

With a view toward supporting complex, data-intensive applications, such as AI inference, video streaming analytics, database acceleration and genomics, Intel i Read more…

By Doug Black

Reinders: “AVX-512 May Be a Hidden Gem” in Intel Xeon Scalable Processors

June 29, 2017

Imagine if we could use vector processing on something other than just floating point problems.  Today, GPUs and CPUs work tirelessly to accelerate algorithms Read more…

By James Reinders

NERSC Scales Scientific Deep Learning to 15 Petaflops

August 28, 2017

A collaborative effort between Intel, NERSC and Stanford has delivered the first 15-petaflops deep learning software running on HPC platforms and is, according Read more…

By Rob Farber

Oracle Layoffs Reportedly Hit SPARC and Solaris Hard

September 7, 2017

Oracle’s latest layoffs have many wondering if this is the end of the line for the SPARC processor and Solaris OS development. As reported by multiple sources Read more…

By John Russell

US Coalesces Plans for First Exascale Supercomputer: Aurora in 2021

September 27, 2017

At the Advanced Scientific Computing Advisory Committee (ASCAC) meeting, in Arlington, Va., yesterday (Sept. 26), it was revealed that the "Aurora" supercompute Read more…

By Tiffany Trader

How ‘Knights Mill’ Gets Its Deep Learning Flops

June 22, 2017

Intel, the subject of much speculation regarding the delayed, rewritten or potentially canceled “Aurora” contract (the Argonne Lab part of the CORAL “ Read more…

By Tiffany Trader

Google Releases Deeplearn.js to Further Democratize Machine Learning

August 17, 2017

Spreading the use of machine learning tools is one of the goals of Google’s PAIR (People + AI Research) initiative, which was introduced in early July. Last w Read more…

By John Russell

GlobalFoundries Puts Wind in AMD’s Sails with 12nm FinFET

September 24, 2017

From its annual tech conference last week (Sept. 20), where GlobalFoundries welcomed more than 600 semiconductor professionals (reaching the Santa Clara venue Read more…

By Tiffany Trader

Nvidia Responds to Google TPU Benchmarking

April 10, 2017

Nvidia highlights strengths of its newest GPU silicon in response to Google's report on the performance and energy advantages of its custom tensor processor. Read more…

By Tiffany Trader

Leading Solution Providers

Graphcore Readies Launch of 16nm Colossus-IPU Chip

July 20, 2017

A second $30 million funding round for U.K. AI chip developer Graphcore sets up the company to go to market with its “intelligent processing unit” (IPU) in Read more…

By Tiffany Trader

Amazon Debuts New AMD-based GPU Instances for Graphics Acceleration

September 12, 2017

Last week Amazon Web Services (AWS) streaming service, AppStream 2.0, introduced a new GPU instance called Graphics Design intended to accelerate graphics. The Read more…

By John Russell

EU Funds 20 Million Euro ARM+FPGA Exascale Project

September 7, 2017

At the Barcelona Supercomputer Centre on Wednesday (Sept. 6), 16 partners gathered to launch the EuroEXA project, which invests €20 million over three-and-a-half years into exascale-focused research and development. Led by the Horizon 2020 program, EuroEXA picks up the banner of a triad of partner projects — ExaNeSt, EcoScale and ExaNoDe — building on their work... Read more…

By Tiffany Trader

Delays, Smoke, Records & Markets – A Candid Conversation with Cray CEO Peter Ungaro

October 5, 2017

Earlier this month, Tom Tabor, publisher of HPCwire and I had a very personal conversation with Cray CEO Peter Ungaro. Cray has been on something of a Cinderell Read more…

By Tiffany Trader & Tom Tabor

Cray Moves to Acquire the Seagate ClusterStor Line

July 28, 2017

This week Cray announced that it is picking up Seagate's ClusterStor HPC storage array business for an undisclosed sum. "In short we're effectively transitioning the bulk of the ClusterStor product line to Cray," said CEO Peter Ungaro. Read more…

By Tiffany Trader

Intel Launches Software Tools to Ease FPGA Programming

September 5, 2017

Field Programmable Gate Arrays (FPGAs) have a reputation for being difficult to program, requiring expertise in specialty languages, like Verilog or VHDL. Easin Read more…

By Tiffany Trader

IBM Advances Web-based Quantum Programming

September 5, 2017

IBM Research is pairing its Jupyter-based Data Science Experience notebook environment with its cloud-based quantum computer, IBM Q, in hopes of encouraging a new class of entrepreneurial user to solve intractable problems that even exceed the capabilities of the best AI systems. Read more…

By Alex Woodie

HPC Chips – A Veritable Smorgasbord?

October 10, 2017

For the first time since AMD's ill-fated launch of Bulldozer the answer to the question, 'Which CPU will be in my next HPC system?' doesn't have to be 'Whichever variety of Intel Xeon E5 they are selling when we procure'. Read more…

By Dairsie Latimer

  • arrow
  • Click Here for More Headlines
  • arrow
Share This