Berkeley Lab, Intel to Collaborate in Updating Scientific Codes for Manycore Architectures

June 18, 2014

June 18 — Lawrence Berkeley National Laboratory has been named an Intel Parallel Computing Center (IPCC), a collaboration with Intel aimed at adapting existing scientific applications to run on future supercomputers built with manycore processors. Such supercomputers will potentially have millions of processor cores, but today’s applications aren’t designed to take advantage of this architecture.

Most scientific applications, such as those used to study climate change, combustion, astrophysics, materials, etc., are designed to run on parallel systems, meaning that the problem is divided into smaller tasks so more of the calculations can be done simultaneously to reduce the time to solution for the scientists. With the growing use of manycore processors, such as Intel’s Xeon and Xeon Phi processors which can which can have more than 60 cores in each processor, applications will need to have even more parallelism. Unless applications are modernized, they will not be able to take advantage of the greater computing performance promised by manycore processors.

The Berkeley Lab IPCC will be led by Nick Wright of the National Energy Research Scientific Computing Center (NERSC), and Bert de Jong and Hans Johansen of the Computational Research Division (CRD).

“Although manycore processors will significantly increase supercomputing performance, that’s only part of the equation,” said Wright, who leads NERSC’s Advanced Technologies Group. “To fully capitalize on this capability, we need to modernize the applications our user community uses to advance scientific discovery. Intel Parallel Computing Centers such as ours are helping to support the community to attack this problem.”

Optimizing applications for manycore is important for NERSC, which announced in April that its next-generation supercomputer will be a Cray XC supercomputer using Intel’s next-generation Xeon Phi processor, which will have more than 60 cores. NERSC is working with its 5,000 users to help them adapt their codes to the new system, which will is expected to be delivered in 2016.

The Berkeley Lab IPCC will focus on increasing the parallelism of two widely used applications: NWChem and CAM5, the Community Atmospheric Model. NWChem is a leading application for computational chemistry and CAM5, part of the Community Earth System Model, is widely used for studying global climate. Modernizing these codes to run on manycore architecture will enable the scientific community to pursue new frontiers in the fields of chemistry, materials and climate research. Because both NWChem and CAM5 are open source applications, any improvements made to them will be shared with the broader user community, maximizing the benefits of the project.

“Enabling NWChem to harness the full power of manycore processors allows our computational chemistry and materials community to accelerate scientific discovery, tackling more complex scientific problems and reducing the time researchers have to wait for simulations to complete,” says de Jong, who leads CRD’s Scientific Computing Group and is a lead developer of the NWChem software. “Advances made by our IPCC will be shared with the developer community, including lessons learned and making our code available as open source.”

The goal is to deliver enhanced versions of NWChem and CAM5 that at least double their overall performance on manycore machines of today. The research and development will be focused upon implementing greater amounts of parallelism in the codes, starting with simple modifications such as adding or modifying existing components and going as far as exploring new algorithmic approaches that can better exploit manycore architectures.

“The open-source scientific community truly depends on CAM components running effectively at NERSC. And climate scientists have always been early adopters of cutting-edge architectures,” says Johansen, a computational science researcher at Berkeley Lab. “With more performance and more parallelism, scientists can accelerate their simulations and more accurately represent atmospheric dynamics. This collaboration with Intel will help climate science developers leverage NERSC’s and Intel’s network of resources and manycore expertise.”

Berkeley Lab is an ideal collaborator for this project. The lab is home to NERSC, the U.S. Department of Energy’s most scientifically productive supercomputing center with more than 5,000 users running about 700 different applications. CRD is home to fundamental research programs in computer science, applied mathematics, and computational science where researchers investigate future directions in scientific computing and work to develop new tools and technologies to fully exploit the increasing power of supercomputers.

According to Wright, NERSC staff will conduct extensive outreach and training to share what they have learned with NERSC’s broader user community. This will supplement the training and outreach efforts NERSC is already doing to support its users on its current flagship supercomputer “Edison,” a Cray XC30 supercomputer that uses Intel Xeon “Ivybridge” processors. Additionally, the work will be part of the NERSC’s Application Readiness program to help prepare users for the expected 2016 delivery of “Cori,” a Cray XC supercomputer architected with Intel’s next-generation Xeon Phi processor (named “Knights Landing”), which will have more than 60 cores per processor.

Berkeley Lab is the first Department of Energy laboratory to be named an IPCC. Other IPCCs are located at leading universities and research institutions around the world.

About Berkeley Lab Computing Sciences

The Lawrence Berkeley National Laboratory (Berkeley Lab) Computing Sciences organization provides the computing and networking resources and expertise critical to advancing the Department of Energy’s research missions: developing new energy sources, improving energy efficiency, developing new materials and increasing our understanding of ourselves, our world and our universe. ESnet, the Energy Sciences Network, provides the high-bandwidth, reliable connections that link scientists at 40 DOE research sites to each other and to experimental facilities and supercomputing centers around the country. The National Energy Research Scientific Computing Center (NERSC) powers the discoveries of 5,500 scientists at national laboratories and universities, including those at Berkeley Lab’s Computational Research Division (CRD). CRD conducts research and development in mathematical modeling and simulation, algorithm design, data storage, management and analysis, computer system architecture and high-performance software implementation.

Source: Lawrence Berkeley National Laboratory

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!

ARM Waving: Attention, Deployments, and Development

January 18, 2017

It’s been a heady two weeks for the ARM HPC advocacy camp. At this week’s Mont-Blanc Project meeting held at the Barcelona Supercomputer Center, Cray announced plans to build an ARM-based supercomputer in the U.K. while Mont-Blanc selected Cavium’s ThunderX2 ARM chip for its third phase of development. Last week, France’s CEA and Japan’s Riken announced a deep collaboration aimed largely at fostering the ARM ecosystem. This activity follows a busy 2016 when SoftBank acquired ARM, OpenHPC announced ARM support, ARM released its SVE spec, Fujistu chose ARM for the post K machine, and ARM acquired HPC tool provider Allinea in December. Read more…

By John Russell

Women Coders from Russia, Italy, and Poland Top Study

January 17, 2017

According to a study posted on HackerRank today the best women coders as judged by performance on HackerRank challenges come from Russia, Italy, and Poland. Read more…

By John Russell

Spurred by Global Ambitions, Inspur in Joint HPC Deal with DDN

January 17, 2017

Inspur, the fast-growth cloud computing and server vendor from China that has several systems on the current Top500 list, and DDN, a leader in high-end storage, have announced a joint sales and marketing agreement to produce solutions based on DDN storage platforms integrated with servers, networking, software and services from Inspur. Read more…

By Doug Black

Weekly Twitter Roundup (Jan. 12, 2017)

January 12, 2017

Here at HPCwire, we aim to keep the HPC community apprised of the most relevant and interesting news items that get tweeted throughout the week. Read more…

By Thomas Ayres

HPE Extreme Performance Solutions

Remote Visualization: An Integral Technology for Upstream Oil & Gas

As the exploration and production (E&P) of natural resources evolves into an even more complex and vital task, visualization technology has become integral for the upstream oil and gas industry. Read more…

NSF Seeks Input on Cyberinfrastructure Advances Needed

January 12, 2017

In cased you missed it, the National Science Foundation posted a “Dear Colleague Letter” (DCL) late last week seeking input on needs for the next generation of cyberinfrastructure to support science and engineering. Read more…

By John Russell

NSF Approves Bridges Phase 2 Upgrade for Broader Research Use

January 12, 2017

The recently completed phase 2 upgrade of the Bridges supercomputer at the Pittsburgh Supercomputing Center (PSC) has been approved by the National Science Foundation (NSF) making it now available for research allocations to the national scientific community, according to an announcement posted this week on the XSEDE web site. Read more…

By John Russell

Clemson Software Optimizes Big Data Transfers

January 11, 2017

Data-intensive science is not a new phenomenon as the high-energy physics and astrophysics communities can certainly attest, but today more and more scientists are facing steep data and throughput challenges fueled by soaring data volumes and the demands of global-scale collaboration. Read more…

By Tiffany Trader

For IBM/OpenPOWER: Success in 2017 = (Volume) Sales

January 11, 2017

To a large degree IBM and the OpenPOWER Foundation have done what they said they would – assembling a substantial and growing ecosystem and bringing Power-based products to market, all in about three years. Read more…

By John Russell

ARM Waving: Attention, Deployments, and Development

January 18, 2017

It’s been a heady two weeks for the ARM HPC advocacy camp. At this week’s Mont-Blanc Project meeting held at the Barcelona Supercomputer Center, Cray announced plans to build an ARM-based supercomputer in the U.K. while Mont-Blanc selected Cavium’s ThunderX2 ARM chip for its third phase of development. Last week, France’s CEA and Japan’s Riken announced a deep collaboration aimed largely at fostering the ARM ecosystem. This activity follows a busy 2016 when SoftBank acquired ARM, OpenHPC announced ARM support, ARM released its SVE spec, Fujistu chose ARM for the post K machine, and ARM acquired HPC tool provider Allinea in December. Read more…

By John Russell

Spurred by Global Ambitions, Inspur in Joint HPC Deal with DDN

January 17, 2017

Inspur, the fast-growth cloud computing and server vendor from China that has several systems on the current Top500 list, and DDN, a leader in high-end storage, have announced a joint sales and marketing agreement to produce solutions based on DDN storage platforms integrated with servers, networking, software and services from Inspur. Read more…

By Doug Black

For IBM/OpenPOWER: Success in 2017 = (Volume) Sales

January 11, 2017

To a large degree IBM and the OpenPOWER Foundation have done what they said they would – assembling a substantial and growing ecosystem and bringing Power-based products to market, all in about three years. Read more…

By John Russell

UberCloud Cites Progress in HPC Cloud Computing

January 10, 2017

200 HPC cloud experiments, 80 case studies, and a ton of hands-on experience gained, that’s the harvest of four years of UberCloud HPC Experiments. Read more…

By Wolfgang Gentzsch and Burak Yenier

A Conversation with Women in HPC Director Toni Collis

January 6, 2017

In this SC16 video interview, HPCwire Managing Editor Tiffany Trader sits down with Toni Collis, the director and founder of the Women in HPC (WHPC) network, to discuss the strides made since the organization’s debut in 2014. Read more…

By Tiffany Trader

BioTeam’s Berman Charts 2017 HPC Trends in Life Sciences

January 4, 2017

Twenty years ago high performance computing was nearly absent from life sciences. Today it’s used throughout life sciences and biomedical research. Genomics and the data deluge from modern lab instruments are the main drivers, but so is the longer-term desire to perform predictive simulation in support of Precision Medicine (PM). There’s even a specialized life sciences supercomputer, ‘Anton’ from D.E. Shaw Research, and the Pittsburgh Supercomputing Center is standing up its second Anton 2 and actively soliciting project proposals. There’s a lot going on. Read more…

By John Russell

Fast Rewind: 2016 Was a Wild Ride for HPC

December 23, 2016

Some years quietly sneak by – 2016 not so much. It’s safe to say there are always forces reshaping the HPC landscape but this year’s bunch seemed like a noisy lot. Among the noisemakers: TaihuLight, DGX-1/Pascal, Dell EMC & HPE-SGI et al., KNL to market, OPA-IB chest thumping, Fujitsu-ARM, new U.S. President-elect, BREXIT, JR’s Intel Exit, Exascale (whatever that means now), NCSA@30, whither NSCI, Deep Learning mania, HPC identity crisis…You get the picture. Read more…

By John Russell

AWI Uses New Cray Cluster for Earth Sciences and Bioinformatics

December 22, 2016

The Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research (AWI), headquartered in Bremerhaven, Germany, is one of the country's premier research institutes within the Helmholtz Association of German Research Centres, and is an internationally respected center of expertise for polar and marine research. In November 2015, AWI awarded Cray a contract to install a cluster supercomputer that would help the institute accelerate time to discovery. Now the effort is starting to pay off. Read more…

By Linda Barney

AWS Beats Azure to K80 General Availability

September 30, 2016

Amazon Web Services has seeded its cloud with Nvidia Tesla K80 GPUs to meet the growing demand for accelerated computing across an increasingly-diverse range of workloads. The P2 instance family is a welcome addition for compute- and data-focused users who were growing frustrated with the performance limitations of Amazon's G2 instances, which are backed by three-year-old Nvidia GRID K520 graphics cards. Read more…

By Tiffany Trader

US, China Vie for Supercomputing Supremacy

November 14, 2016

The 48th edition of the TOP500 list is fresh off the presses and while there is no new number one system, as previously teased by China, there are a number of notable entrants from the US and around the world and significant trends to report on. Read more…

By Tiffany Trader

Vectors: How the Old Became New Again in Supercomputing

September 26, 2016

Vector instructions, once a powerful performance innovation of supercomputing in the 1970s and 1980s became an obsolete technology in the 1990s. But like the mythical phoenix bird, vector instructions have arisen from the ashes. Here is the history of a technology that went from new to old then back to new. Read more…

By Lynd Stringer

For IBM/OpenPOWER: Success in 2017 = (Volume) Sales

January 11, 2017

To a large degree IBM and the OpenPOWER Foundation have done what they said they would – assembling a substantial and growing ecosystem and bringing Power-based products to market, all in about three years. Read more…

By John Russell

Container App ‘Singularity’ Eases Scientific Computing

October 20, 2016

HPC container platform Singularity is just six months out from its 1.0 release but already is making inroads across the HPC research landscape. It's in use at Lawrence Berkeley National Laboratory (LBNL), where Singularity founder Gregory Kurtzer has worked in the High Performance Computing Services (HPCS) group for 16 years. Read more…

By Tiffany Trader

Dell EMC Engineers Strategy to Democratize HPC

September 29, 2016

The freshly minted Dell EMC division of Dell Technologies is on a mission to take HPC mainstream with a strategy that hinges on engineered solutions, beginning with a focus on three industry verticals: manufacturing, research and life sciences. "Unlike traditional HPC where everybody bought parts, assembled parts and ran the workloads and did iterative engineering, we want folks to focus on time to innovation and let us worry about the infrastructure," said Jim Ganthier, senior vice president, validated solutions organization at Dell EMC Converged Platforms Solution Division. Read more…

By Tiffany Trader

Lighting up Aurora: Behind the Scenes at the Creation of the DOE’s Upcoming 200 Petaflops Supercomputer

December 1, 2016

In April 2015, U.S. Department of Energy Undersecretary Franklin Orr announced that Intel would be the prime contractor for Aurora: Read more…

By Jan Rowell

Enlisting Deep Learning in the War on Cancer

December 7, 2016

Sometime in Q2 2017 the first ‘results’ of the Joint Design of Advanced Computing Solutions for Cancer (JDACS4C) will become publicly available according to Rick Stevens. He leads one of three JDACS4C pilot projects pressing deep learning (DL) into service in the War on Cancer. Read more…

By John Russell

Leading Solution Providers

D-Wave SC16 Update: What’s Bo Ewald Saying These Days

November 18, 2016

Tucked in a back section of the SC16 exhibit hall, quantum computing pioneer D-Wave has been talking up its new 2000-qubit processor announced in September. Forget for a moment the criticism sometimes aimed at D-Wave. This small Canadian company has sold several machines including, for example, ones to Lockheed and NASA, and has worked with Google on mapping machine learning problems to quantum computing. In July Los Alamos National Laboratory took possession of a 1000-quibit D-Wave 2X system that LANL ordered a year ago around the time of SC15. Read more…

By John Russell

CPU Benchmarking: Haswell Versus POWER8

June 2, 2015

With OpenPOWER activity ramping up and IBM’s prominent role in the upcoming DOE machines Summit and Sierra, it’s a good time to look at how the IBM POWER CPU stacks up against the x86 Xeon Haswell CPU from Intel. Read more…

By Tiffany Trader

Nvidia Sees Bright Future for AI Supercomputing

November 23, 2016

Graphics chipmaker Nvidia made a strong showing at SC16 in Salt Lake City last week. Read more…

By Tiffany Trader

New Genomics Pipeline Combines AWS, Local HPC, and Supercomputing

September 22, 2016

Declining DNA sequencing costs and the rush to do whole genome sequencing (WGS) of large cohort populations – think 5000 subjects now, but many more thousands soon – presents a formidable computational challenge to researchers attempting to make sense of large cohort datasets. Read more…

By John Russell

Beyond von Neumann, Neuromorphic Computing Steadily Advances

March 21, 2016

Neuromorphic computing – brain inspired computing – has long been a tantalizing goal. The human brain does with around 20 watts what supercomputers do with megawatts. And power consumption isn’t the only difference. Fundamentally, brains ‘think differently’ than the von Neumann architecture-based computers. While neuromorphic computing progress has been intriguing, it has still not proven very practical. Read more…

By John Russell

The Exascale Computing Project Awards $39.8M to 22 Projects

September 7, 2016

The Department of Energy’s Exascale Computing Project (ECP) hit an important milestone today with the announcement of its first round of funding, moving the nation closer to its goal of reaching capable exascale computing by 2023. Read more…

By Tiffany Trader

Dell Knights Landing Machine Sets New STAC Records

November 2, 2016

The Securities Technology Analysis Center, commonly known as STAC, has released a new report characterizing the performance of the Knight Landing-based Dell PowerEdge C6320p server on the STAC-A2 benchmarking suite, widely used by the financial services industry to test and evaluate computing platforms. The Dell machine has set new records for both the baseline Greeks benchmark and the large Greeks benchmark. Read more…

By Tiffany Trader

What Knights Landing Is Not

June 18, 2016

As we get ready to launch the newest member of the Intel Xeon Phi family, code named Knights Landing, it is natural that there be some questions and potentially some confusion. Read more…

By James Reinders, Intel

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