Advertisement
Articles
Subscribe to Scientific Computing Articles
Karol Kowalski, Capability Lead for NWChem Development, works in the Environmental Molecular Sciences Laboratory (EMSL) at PNNL.

Advancing Computational Chemistry with NWChem

November 18, 2014 3:07 pm | by Mike Bernhardt, HPC Community Evangelist, Intel | Comments

An interview with PNNL’s Karol Kowalski, Capability Lead for NWChem Development - NWChem is an open source high performance computational chemistry tool developed for the Department of Energy at Pacific Northwest National Lab in Richland, WA. I recently visited with Karol Kowalski, Capability Lead for NWChem Development, who works in the Environmental Molecular Sciences Laboratory (EMSL) at PNNL.

TOPICS:
Steve Conway is Research VP, HPC at IDC.

Small and Medium Enterprises Enter the Limelight

November 14, 2014 11:43 am | by Steve Conway | Comments

A decade of close scrutiny has shed much more light on the technical computing needs of small and medium enterprises (SMEs), but they are still shrouded in partial darkness. That’s hardly surprising for a diverse global group with millions of members ranging from automotive suppliers and shotgun genomics labs to corner newsstands and strip mall nail salons.

TOPICS:
John Kirkley, President of Kirkley Communications, is a writer and editor who specializes in HPC.

A New Dawn: Bringing HPC to Smaller Manufacturers

November 13, 2014 11:26 am | by John Kirkley | Comments

Folk wisdom can sometimes be right on target. For example, there’s that old bromide about leading a horse to water. In this case, the water is high performance computing, and the reluctant equine is the huge base of small- to medium-sized manufacturers in the U.S. According to the National Center for Manufacturing Sciences, there are approximately 300,000 manufacturers in the U.S. Over 95 percent of them can be characterized as SMMs.

TOPICS:
Advertisement
Specific bits of a digital image file that have been replaced with the bits of a secret steganographic payload permit a covert agent to post top-secret documents on their Facebook wall by simply uploading what appear to be cute images of kittens on any ty

Leading the Eyewitness: Digital Image Forensics in a Megapixel World

November 12, 2014 3:42 pm | by William Weaver, Ph.D. | Comments

Current research in the area of digital image forensics is developing better ways to convert image files into frequencies, such as using wavelet transforms in addition to more traditional cosine transforms and more sensitive methods for determining if each area of an image belongs to the whole.

TOPICS:
Recent gender diversity reports from Google, Facebook and Apple (to name a few) have spurred a number of positive efforts to bring more women into computer science, including the SC14 Women in HPC workshop, NVIDIA’s Women who CUDA campaign, and Google’s $

Women Who Compute: Overcoming Lack of Gender Diversity in Science and Technology

November 11, 2014 3:17 pm | by Rob Farber | Comments

Recent gender diversity reports from Google, Facebook and Apple (to name a few) have spurred a number of positive efforts to bring more women into computer science, including the SC14 Women in High Performance Computing workshop, NVIDIA’s Women who CUDA campaign, and Google’s $50M Women Who Code program.

TOPICS:
The Renaissance Computing Institute’s high performance computing cluster quickly generates better intelligence about coastal hazards and risk. Courtesy of RENCI

HPC Matters to our Quality of Life and Prosperity

November 11, 2014 2:22 pm | by Don Johnston | Comments

The complexity of high-end computing technology makes it largely invisible to the public. HPC simply lacks the Sputnik sex appeal of the space race, to which current global competition in supercomputing is often compared. Rather, it is seen as the exclusive realm of academia and national labs. Yet, its impact reaches into almost every aspect of daily life. Organizers of SC14 had this reach in mind when selecting the “HPC Matters” theme.

TOPICS:
The IPCC at Lawrence Berkeley National Laboratory is performing code modernization work on NWChem.

A Focus on Code Modernization: Observing Year One of the Intel Parallel Computing Centers

November 10, 2014 11:11 am | by Doug Black | Comments

One year ago, recognizing a rapidly emerging challenge facing the HPC community, Intel launched the Parallel Computing Centers program. With the great majority of the world’s technical HPC computing challenges being handled by systems based on Intel architecture, the company was keenly aware of the growing need to modernize a large portfolio of public domain scientific applications, to prepare these critically important codes for multi-core

TOPICS:
JMP 11: Remarkable Statistics, Graphics and Integration Designed for the Technician, Scientist, Engineer and Businessperson

JMP 11: Remarkable Statistics, Graphics and Integration

November 7, 2014 10:30 am | by John A. Wass, Ph.D. | Comments

It should come as no surprise to readers of this column that JMP is a personal favorite and, along with SAS, one of my most-used programs. There are a number of reasons for this. Of the many advantages that most packages can offer, breadth and depth of the statistics offered, quality of the diagnostics, interconnectivity of graphics with both data and analyses, and ease-of-use issues are uppermost in my mind as most desirable.

TOPICS:
Advertisement
Michael Elliott is CEO of Atrium  Research & Consulting.

Déjà Vu All Over Again: Knowledge management is not an IT problem, but a challenge to the culture of an organization

November 7, 2014 8:48 am | by Michael H. Elliott | Comments

In the late 1990s and the early 2000s, “Knowledge Management” (KM) was all the rage. Companies invested millions on enterprise content management (ECM) systems and teams of KM practitioners. It was believed that the codification of all knowledge assets across the enterprise would lead to new insights and higher levels of innovation.

TOPICS:
Highly motivated to organize the Argonne Training Program on Extreme-Scale Computing, Paul Messina reflects on what makes the program unique and a can’t-miss opportunity for the next generation of HPC scientists.

A Q&A with Paul Messina, Director of Science for the Argonne Leadership Computing Facility

November 6, 2014 4:22 pm | by Brian Grabowski, Argonne National Laboratory | Comments

Highly motivated to organize the Argonne Training Program on Extreme-Scale Computing, Paul Messina reflects on what makes the program unique and a can’t-miss opportunity for the next generation of HPC scientists. ATPESC is an intense, two-week program that covers most of the topics and skills necessary to conduct computational science and engineering research on today’s and tomorrow’s high-end computers.

TOPICS:
R.D. McDowall is Principal, McDowall Consulting.

The Cloud Meets GMP Regulations – Part 4: Selecting a Cloud Service Provider

November 6, 2014 3:16 pm | by R.D. McDowall, Ph.D. | Comments

The purpose of this series is to discuss the impact of GMP (Good Manufacturing Practice) regulations on cloud computing and to debate some of the regulatory issues facing an organization contemplating this approach. In this part, we look at a process to select a suitable hosting provider that can demonstrate compliance with GMP and possession of qualified IT infrastructure.

TOPICS:
R.D. McDowall is Principal, McDowall Consulting.

The Cloud Meets GMP Regulations – Part 3: Options for Auditing a Cloud Service Provider

November 3, 2014 2:53 pm | by R.D. McDowall, Ph.D. | Comments

The purpose of this series is to discuss the impact of GMP (Good Manufacturing Practice) regulations on cloud computing and to debate some of the regulatory issues facing an organization contemplating this approach. In this part, we look at the options for auditing a cloud service provider.

TOPICS:
R.D. McDowall is Principal, McDowall Consulting.

The Cloud Meets GMP Regulations – Part 2: SaaS and Qualified IT Infrastructure

October 28, 2014 9:40 am | by R.D. McDowall, Ph.D. | Comments

The purpose of this series is to discuss the impact of GMP (Good Manufacturing Practice) regulations on cloud computing and to debate some of the regulatory issues facing an organization contemplating this approach. In this part, we look at the SaaS (Software as a Service) hosting options available to consider for regulated users and the requirement for qualified IT infrastructure.

TOPICS:
R.D. McDowall is Principal, McDowall Consulting.

The Cloud Meets GMP Regulations – Part 1: Applicable Regulations

October 20, 2014 2:35 pm | by R.D. McDowall, Ph.D. | Comments

The purpose of this series is to discuss the impact of GMP (Good Manufacturing Practice) regulations on cloud computing and to debate some of the regulatory issues facing an organization contemplating this approach. In this part, we look at the applicable regulations.

TOPICS:
“Scalability and performance means taking a careful look at the code modernization opportunities that exist for both message passing and threads as well as opportunities for vectorization and SIMDization.” Rick Stevens, Argonne National Laboratory

Extending the Lifespan of Critical Resources through Code Modernization

September 9, 2014 2:05 pm | by Doug Black | Comments

As scientific computing moves inexorably toward the Exascale era, an increasingly urgent problem has emerged: many HPC software applications — both public domain and proprietary commercial — are hamstrung by antiquated algorithms and software unable to function in manycore supercomputing environments. Aside from developing an Exascale-level architecture, HPC code modernization is the most important challenge facing the HPC community.

TOPICS:

Pages

X
You may login with either your assigned username or your e-mail address.
The password field is case sensitive.
Loading