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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 editor.scw@europascience.com Deputy editor Robert Roe robert.roe@europascience.com


Specialist reporters Sophia Ktori, Gloria Metrick, Gemma Church Circulation/readership enquiries subscriptions@europascience.com


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SUBSCRIPTIONS:Free registration is available to qualifying individuals. Register online at www.scientific-computing. com Subscriptions £100 a year for six issues to readers outside registration requirements. Single issue £20. Orders to ESL, SCW Circulation, 4 Signet Court, Swann Road, Cambridge, CB5 8LA, UK. Tel: +44 (0)1223 221 030. Fax: +44 (0)1223 213 385. ©2016 Europa Science Ltd. Whilst every care has been taken in the compilation of this magazine, errors or omissions are not the responsibility of


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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


DEFENDING GOOD DATA


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/Shutterstock.com


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