Issue 148 June/July 2016 CONTENTS

High-performance computing Promoting freedom of choice in HPC

As AMD launches its latest FirePro GPU, Robert Roe investigates a new suite of open-source tools, released by the company, to convert code from CUDA into C++

Consolidating storage in scientific computing

Shailesh Shenoy discusses the challenges faced by large medical organisations in the face of ever growing volumes of data

Speeding up the storage stack

Robert Roe discusses the merits of the latest storage technologies and a push to develop intelligent data management systems

Creating balance in HPC Meeting Czechs all the HPC boxes

Tim Gillett reports from PRACEDays 2016, held in May in the city of Prague Industry converges on Europe

With ISC’16 set to take place in Frankfurt during June, SCW showcases some of the latest technology and services at Europe’s largest HPC event

Laboratory informatics A question of confidence

Sophia Ktori investigates the use of informatics soſtware to increase data integrity in the laboratory

Picking up the pace at PLA

Robert Roe discovers that data integrity, process improvement, and managing data are key challenges for informatics providers ‘finding the speed to innovate’

Looking towards the laboratories of the future

Jana Erjavec wonders why researchers are slow to adopt soſtware for electronic laboratory notebooks

Applications Fuelling Potential

Gemma Church finds out how simulation soſtware is opening up fuel cell technology to a greater range of commercial applications

News Te latest announcements in the field of modelling and simulation

Resources Suppliers' directory

EDITORIAL AND ADMINISTRATIVE TEAM Managing editor Tim Gillett Deputy editor Robert Roe

Specialist reporters Sophia Ktori, Gloria Metrick, Gemma Church Circulation/readership enquiries

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JUNE/JULY 2016 3 38 34 30 26 22 14

Robert Roe investigates the motivation behind the architectural changes to Europe’s fastest supercomputer, Piz Daint, housed at the Swiss National Supercomputing Centre

16 18 10 6 4


In April 2016 the USA's Food and Drug Administration (FDA) issued for comment a draſt guidance for the pharmaceutical industry to help clarify ‘the role of data integrity in current good manufacturing practice for drugs’. Te guidance came about because, in

recent years, its inspections have uncovered increasing numbers of violations of Current Good Manufacturing Practice in which data integrity is involved. Against this backdrop, Sophia Ktori

investigates the use of informatics soſtware to increase data integrity in the laboratory on page 22, discovering along the way that some organisations are going to be faced with huge bills to upgrade their analytical instruments to enable interface with current data management platforms. On page 34 Gemma Church finds out how

simulation soſtware is opening up fuel cell technology to a greater range of commercial applications, while we have the usual array of analysis pieces and company profiles elsewhere in the magazine. Tere are write-ups of two industry events

from over the last few weeks; the Paperless Lab Academy held in Barcelona, Spain, as well as a short review of the PRACEDays meeting in Prague, Czech Republic. Te month of June sees the high-

performance computing world descent on the German city of Frankfurt, for the ISC High Performance 2016 event; in these pages we preview the event and look at some of the organisations that will be present. As ever, Scientific Computing World will be

in attendance at the Frankfurt Messe, and we look forward to meeting some of you there.

Tim Gillett Managing editor

Cover: Denys Tokar/Markus Gann/ Wongwean/

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