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Interview: Advancing Computational Chemistry with NWChem

Karol Kowalski, Capability Lead for NWChem Development at PNNL

“The notion of High Performance Computing is evolving over time. So what was deemed a leadership class computer five years ago is a little bit obsolete. We are talking about the evolution not only in the hardware but also in the programming models because there are more and more cores available. Orchestrating the calculations in the way that can effectively take advantage of parallelism takes a lot of thinking and a lot of redesign of the algorithms behind the calculations.”

How Product Lifecycle Management (PLM) Tops the Agenda

Robert Roe

In this special guest feature from Scientific Computing World, Robert Roe writes that Product Lifecycle Management (PLM) software is coming of age, highlighted by a report from market researchers Frost and Sullivan and a conference on the topic to be held in February.

Time to Retire the Turing Test?

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If you haven’t heard, there is a new film about Alan Turing, one of the original computer scientists to ponder the question: Can machines think? Over at Kill Screen, David Shimomura writes that it may be time to put the Turing Test to bed.

John Barr on the Power and the Processor

John Barr

In this special guest feature from Scientific Computing World, John Barr surveys the technologies that will underpin the next generation of HPC processors and finds that software, not hardware, holds the key.

Slidecast: Cycle Computing Powers 70,000-core AWS Cluster for HGST

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Has Cloud HPC finally made it’s way to the Missing Middle? In this slidecast, Jason Stowe from Cycle Computing describes how the company enabled HGST to spin up a 70,000-core cluster from AWS and then return it 8 hours later. “One of HGST’s engineering workloads seeks to find an optimal advanced drive head design, taking 30 days to complete on an in-house cluster. In layman terms, this workload runs 1 million simulations for designs based upon 22 different design parameters running on 3 drive media Running these simulations using an in-house, specially built simulator, the workload takes approximately 30 days to complete on an internal cluster.”

Why Innovation Shouldn’t be a Dirty Secret

Richard Holland

In this special guest feature from Scientific Computing World, Richard Holland from the Pistoia Alliance considers how even competitors can work together to lower the barriers to innovation, without giving away their commercial secrets.

Altair Architects for Exascale with PBS Professional 13.0

Altair Logo Stacked

At Supercomputing 2014 in New Orleans, Altair announced key features for PBS Professional 13.0, scheduled to launch in Q1 2015. The new version will take scalability to the next level, with massive jumps in supported system size, job dispatch speed and throughput; users will also benefit from key resilience, flexibility and scheduling improvements.

Pros and Cons of HPC Virtualization

Deepak Khosla, President, X-ISS

In this special guest feature from Scientific Computing World, X-ISS President Deepak Khosla argues that while enterprise computing makes extensive use of virtualization, it could make a big difference in HPC as well if it is introduced properly.

Radio Free HPC Does the SC14 Wrapup Show

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In this episode, the Radio Free HPC team wraps up the SC14 conference. It was a big week for all of us, so in the interest of time we each picked one big thing to talk about.

The Beginning of an Era – HPC, Take Your Rightful Place in the Data Center

Jill King, VP of Marketing, Adaptive Computing

“Please join me in welcoming a new era — an era where HPC is the center of the business universe. It’s about keeping it simple and creating an ecosystem that adapts as demands dictate. Take the ease-of-use and collaboration of the cloud, couple that with the horsepower of HPC and extract the data necessary for the business to make game changing decisions. That’s the recipe for success and HPC is the cornerstone. HPC, take your rightful place in the data center.”