A Not-So-Simple Matter of Software

By By Jack Dongarra

October 28, 2005

This article originally appeared in the Summer 2005 issue of NCSA's Access magazine.

When we try to assess how much progress we have made in computational modeling and simulation, recalling some history about the related approaches of experiment and theory can help keep things in perspective. For example, we can trace the systematic use of experiment back to Galileo in the early seventeenth century. Yet for all the incredible successes it enjoyed over its first three centuries, the experimental method arguably did not fully mature until the elements of good design and practice were finally analyzed and described in detail by R. A. Fisher and others in the first half of the twentieth century. In that light, it seems clear that while computational science has had many remarkable youthful successes, it is still at a very early stage in its growth.

Many of us today who want to hasten that growth believe that the most progressive steps in that direction require much more community focus on the vital core of computational science: software and the mathematical models and algorithms it encodes.  Of course the widespread obsession with hardware is understandable.  No one who helps administer the TOP500 Supercomputer Sites project, as I do, can claim to be immune to it.  But when it comes to advancing the cause of computational modeling and simulation as a new part of the scientific method, there is no doubt that its complex software ecosystem must take center stage. 

At the application level the science has to be captured in mathematical models, which in turn are expressed algorithmically and ultimately encoded as software. Accordingly, on typical projects the majority of the funding goes to support this translation, which over its course requires intimate collaboration among domain scientists, computer scientists, and applied mathematicians. This process also relies on a large infrastructure of mathematical libraries, protocols, and system software that has taken years to build up and that must be maintained, ported, and enhanced for many years to come if the value of the application codes that depend on it are to be preserved and extended. The software that encapsulates all this time, energy, and thought routinely outlasts (usually by years, sometimes by decades) the hardware it was originally designed to run on, as well as the individuals who designed and developed it. 

Thus the life of computational science revolves around a multifaceted software ecosystem.  But today there is (and should be) a real concern that this ecosystem, including all of its complexities, is not ready for the major challenges that will soon confront the field. Domain scientists now want to create much larger, multi-dimensional applications in which a variety of previously independent models are coupled together, or even fully integrated. They hope to be able to run these applications on petascale systems with tens of thousands of processors, to extract all performance that these platforms can deliver, to recover automatically from the processor failures that regularly occur at this scale, and to do all this without sacrificing good programmability. This vision of computational science contains numerous unsolved and exciting problems for the software research community. Unfortunately, it also highlights aspects of the current software environment that are either immature, underfunded, or both, as Douglass Post and Lawrence Votta recently pointed out in Physics Today.

Advancing to the next stage of growth for computational simulation and modeling will require us to solve basic research problems in computer science and applied mathematics even as we create and promulgate a new paradigm for the development of scientific software. To make progress on both fronts simultaneously will require a level of sustained, interdisciplinary collaboration among the core research communities that, in the past, has only been achieved by forming and supporting research centers dedicated to such a common purpose. A stronger effort is needed by both government and the research community to embrace such a broader vision.

I believe that the time has come for the leaders of the computational science movement to focus their energies on creating such software research centers to carry out this indispensable part of the mission. The NCSA community has always been in the vanguard of efforts to catalyze and organize precisely these kinds of interdisciplinary research partnerships that we now require to transform the future of scientific software.  I have every confidence that this community stands ready to step up again to this momentous new effort.

Jack Dongarra is university distinguished professor of computer science in the Computer Science Department at the University of Tennessee. He also holds the title of distinguished research staff in the Computer Science and Mathematics Division at Oak Ridge National Laboratory and is an adjunct professor in the Computer Science Department at Rice University. He specializes in numerical algorithms in linear algebra, parallel computing, use of advanced computer architectures, programming methodology, and tools for parallel computers. He is executive editor of the Cyberinfrastructure Technology Watch, a publication of the NSF-funded CyberInfrastructure Parntership.

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!

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

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

UCSD Web-based Tool Tracking CA Wildfires Generates 1.5M Views

October 16, 2017

Tracking the wildfires raging in northern CA is an unpleasant but necessary part of guiding efforts to fight the fires and safely evacuate affected residents. One such tool – Firemap – is a web-based tool developed b 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…

Exascale Imperative: New Movie from HPE Makes a Compelling Case

October 13, 2017

Why is pursuing exascale computing so important? In a new video – Hewlett Packard Enterprise: Eighteen Zeros – four HPE executives, a prominent national lab HPC researcher, and HPCwire managing editor Tiffany Trader Read more…

By John Russell

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

OLCF’s 200 Petaflops Summit Machine Still Slated for 2018 Start-up

October 3, 2017

The Department of Energy’s planned 200 petaflops Summit computer, which is currently being installed at Oak Ridge Leadership Computing Facility, is on track t Read more…

By John Russell

US Exascale Program – Some Additional Clarity

September 28, 2017

The last time we left the Department of Energy’s exascale computing program in July, things were looking very positive. Both the U.S. House and Senate had pas Read more…

By Alex R. Larzelere

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

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

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

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

Leading Solution Providers

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

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

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

Intel, NERSC and University Partners Launch New Big Data Center

August 17, 2017

A collaboration between the Department of Energy’s National Energy Research Scientific Computing Center (NERSC), Intel and five Intel Parallel Computing Cente Read more…

By Linda Barney

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