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Issue 151 December 2016/January 2017 CONTENTS


Laboratory informatics Leaving a legacy


Robert Roe investigates the importance of upgrading legacy laboratory informatics systems and the benefits this provides to scientists


Informatics news


A round-up of the latest significant news stories in laboratory informatics Applications


Digging geothermals Fortissimo service to broker resources


Te Fortissimo marketplace and its parent company emerged from a successful EU-funded initiative, writes Robert Roe


High-performance computing Precision medicine takes centre stage


Robert Roe reports from the SC16 conference, where he discovered that machine learning and HPC technology is driving advances


Managing a modern HPC cluster Tooling up for exascale A question of scale


Tim Gillett meets the Jülich Supercomputing Centre's Norbert Attig and Tomas Eickermann


The new age of Aquarius David Yipp, of OFC, provides a timely update on the HPC processor market


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, William Payne, Gemma Church


Subscriptions marketing manager Sarah Sharpe subs.electro@europascience.com


ADVERTISING TEAM Advertising sales Mike Nelson Tel: +44 (0)1223 221 039 Fax: +44 (0)1223 213 385 mike.nelson@europascience.com


www.scientific-computing.com l @scwmagazine


Robert Roe Deputy editor @scwmagazine


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Production manager Pete Vine Tel: +44 (0)1223 221 033 Fax: +44 (0)1223 213 385 pete.vine@europascience.com


CORPORATE TEAM Managing director Warren Clark Web www.scientific-computing.com


SUBSCRIPTIONS:Free registration is available to qualifying individuals. Register online at www.scientific-computing. com Subscriptions £180 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


the publishers or of the editorial staff. Opinions expressed are not necessarily those of the publishers or editorial staff. All rights reserved. Unless specifically stated, goods or services mentioned are not formally endorsed by Europa Science Ltd, which does not guarantee or endorse or accept any liability for any goods and/or services featured in this publication.


US copies:Scientific Computing World (ISSN 1356-7853/ USPS No 018-753) is published bi-monthly for £100 per year by Europa Science Ltd, and distributed in the USA by DSW, 75 Aberdeen Rd, Emigsville PA 17318-0437. Periodicals postage paid at Emigsville PA. Postmaster: Send address corrections to Scientific Computing World PO Box 437, Emigsville, PA 17318-0437.


Subscribe for free at www.scientific-computing.com/subscribe


DECEMBER 2016/JANUARY 2017 3 28 22


Bright Computing's Lionel Gibbons on how the use of cluster management soſtware can help to manage data centre resources


24


Robert Roe investigates European projects focusing on preparing today’s supercomputers and HPC programmers for exascale


26 12


Gemma Church investigates how simulation and modelling de-risks the detection and extraction of geothermal energy resources.


16 9 4


HPC IS NOT JUST FOR CHRISTMAS


Tis issue of Scientific Computing World is firmly rooted in HPC. On page 16 Tim Gillett investigates the Fortissimo project, which includes a platform for brokering high-performance computing services aimed at modelling and simulation users. On page 12, Gemma Church looks at the use


of modelling and simulation soſtware for power generation with a feature reviewing the latest developments in geothermal power and fracking. Our dedicated HPC coverage starts on page 19,


where I report on the major US supercomputing conference, SC16. Tis year’s report focuses on the plenary session, which saw experts from across HPC and medicine explain the importance of HPC to future healthcare initiatives such as ‘Cancer Moonshot’. Te HPC section also includes contributed


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articles from two industry experts. On Page 22 Bright Computing’s Lionel Gibbons explores the use of cluster management soſtware and its role in accelerating the next generation of HPC technology. On Page 28 OCF’s David Yip gives his take on the HPC processor market – can Intel retain its dominance? On page 24 I look at the role of programming


frameworks and their importance in programming exascale HPC systems. To further corroborate this, on page 26 we have the HPC profile from the Jülich Supercomputing Centre. Its focus is on creating highly scalable computing systems – including its High-Q Club, which aims to scale applications to all 28 racks of their flagship supercomputer. I would also like to wish our readers a Merry


Christmas and a happy and prosperous 2017. Hopefully, you will return aſter the holiday period rejuvenated and with a fresh copy of Scientific Computing World!


Cover: Jon Mullen/Shutterstock.com


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