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Big Data Meets HPC

March 7, 2014 2:49 pm | by Suzanne Tracy, Editor-in-Chief, Scientific Computing and HPC Source | Comments

Steve Conway, IDC VP HPC explains that, to date, most data-intensive HPC jobs in the government, academic and industrial sectors have involved the modeling and simulation of complex physical and quasi-physical systems. However, he notes that from the start of the supercomputer era in the 1960s — and even earlier — an important subset of HPC jobs has involved analytics, attempts to uncover useful information and patterns in the data itself.

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SciFinder Review: Chemistry/Biology References and More

March 6, 2014 4:31 pm | by John A. Wass, Ph.D. | Comments

This month’s review is a bit off of the usual track, e.g. statistical, mathematical and genomics software. However, it does include much pertinent information for chemists, chemical engineers and biologists. SciFinder is a search engine for chemistry and biology references for just about anything that can be accurately described in the search feature.

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Informatics Snapshot: METTLER TOLEDO LabX

March 3, 2014 11:39 am | by John R. Joyce, Ph.D. | Comments

Welcome to Informatics Snapshot — a feature that highlights the standout properties of the current crop of laboratory informatics systems. While not intended to be a full formal review of the featured product or to indicate whether the product is considered “good” or “bad,” its purpose is to present some of the “diamonds and rust,” as the Joan Baez song goes. In this article, we’ll take a brief look at the LabX system

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Need for Speed: Ramping up the Velocity of Big Data

March 3, 2014 11:11 am | by William Weaver, Ph.D. | Comments

Big Data tools such as Grok and IBM Watson are enabling large organizations to behave more like agile startups. Of the transformative technology developments that have ushered in the current frenzy of activity along the information superhighway, the 1994 invention of the “Wiki” by Ward Cunningham is among the most disruptive.

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Create Mobile to HPC Applications using a Single Source Tree

March 3, 2014 10:00 am | by Rob Farber | Comments

Encryption and nuclear weapons are two easily recognized examples where a combinatorial explosion is a sought after characteristic. In the software development world, combinatorial explosions are bad. In particular, it is far too easy to become lost in the minutia of writing code that can run efficiently on NVIDIA GPUs, AMD GPUs, x86, ARM and Intel Xeon Phi while also addressing the numerous compiler and user interface vagaries

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Data Integrity in a Nutshell: Industry must take bold steps to assure the data used for drug quality decisions is trustworthy

January 7, 2014 12:31 pm | by Mark E. Newton | Comments

Regulatory inspectors have started digging much deeper into data, no longer accepting batch release data and supportive testing at face value. Even worse, this effort is justified: they have cited a number of firms for violations of data integrity, a most fundamental bond of trust between manufacturers and the regulators that inspect them. Industry must take bold steps to assure the data used for drug quality decisions is trustworthy...

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Comparison of FDA and EU Regulations for Audit Trails

January 7, 2014 12:02 pm | by R.D. McDowall, Ph.D. | Comments

Data integrity is a current hot topic with regulatory agencies, as seen with recent publications in this magazine, and audit trails are an important aspect of ensuring this in computerized systems. The purpose of this article is to compare and contrast the EU and FDA GMP regulatory requirements for computerized system audit trails.

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A Fresh Look at the AnIML Data Standard

January 7, 2014 11:47 am | by Burkhard Schaefer | Comments

One of the challenges in laboratory data management is the handling and exchange of experiment data. Many vendors provide excellent instruments, but most produce data in their own proprietary formats. This leads to major difficulties for data processing, collaboration, instrument integration and archiving. The ASTM AnIML standardization effort addresses these problems by providing a neutral XML-based format for exchanging scientific data.

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Mobile Tech between a Rock and a Hard Place

January 6, 2014 2:17 pm | by Rob Farber | Comments

Mobile technology is where the money is right now in computer technology. Current leadership class supercomputers are “wowing” the HPC world with petaflop/s performance through the combined use of several thousand GPUs or Intel Xeon Phi coprocessors, but in reality the sale of a few thousand of these devices is insignificant when compared against the 1.5 billon cellphone processors and 190 million tablet processors ...

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Unscrambler X 10.3: Useful Niche Software

January 6, 2014 1:38 pm | by John A. Wass, Ph.D. | Comments

Software Review: Unscrambler statistical software is geared to two of the most useful areas of industrial R&D, namely multivariate analysis and experimental design. The latest version (10.3) of this useful niche software has a number of additions and upgrades, including regression and classification methods, exploratory data analysis tools, predictive modeling, extensive pre-processing options, and descriptive statistics with tests.

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The 12 Days of Pascal's Triangular Christmas

December 24, 2013 10:05 am | by Michael Rose, University of Newcastle | Comments

One of the most magical aspects of mathematics is the ability for complex and intricate structures to emerge from the simplest of rules. Few mathematical objects are simpler to create — and few weave such a variety of intricate patterns — as Pascal’s marvellous triangle.

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DOE to Showcase Computational Science Expertise at SC13 Conference

December 5, 2013 4:34 pm | by DOE | Comments

After unexpectedly missing the opportunity to exhibit their expertise at SC12, the Department of Energy (DOE) national laboratories will return to the conference exhibition at the SC13 international conference for high performance computing, networking, storage and analysis, to be held November 17 to 22 at the Colorado Convention Center (CCC) in Denver.

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Preserving Sanity in the Face of Rampant Technology Change

December 4, 2013 4:16 pm | by Rob Farber | Comments

Change is a given in the technology world as new products excite interest, generate sales and, ultimately, define profitability. No technology company is “too big to fail,” which means that the current market giants recognize they can easily become a name from the past, like SUN Microsystems and Digital Equipment Corporation, unless they aggressively innovate.

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Meet HPC Innovator Taghrid Samak

December 3, 2013 4:03 pm | by Jon Bashor, Berkeley Lab Computational Research Division | Comments

Everything leading up to the actual coding, figuring out how to make it work, is what Samak enjoys most. One of the problems she is working on with the Department of Energy’s Joint Genome Institute (JGI) is a data mining method to automatically identify errors in genome assembly, replacing the current approach of manually inspecting the assembly.

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A Q&A with Taghrid Samak, LBNL Research Scientist

December 3, 2013 3:50 pm | by Jon Bashor, Lawrence Berkeley National Laboratory | Comments

Taghrid Samak of Berkeley Lab’s Computational Research Division admits with a laugh that she wasn’t one of those kids who started programming on the home computer at age 10. And if she hadn’t followed her father’s advice, she might have ended up looking for political solutions to pressing problems, rather than working on computational approaches to scientific challenges.

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