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Refined Solution How HPC Is Changing the Face of Oil and Gas www.scientific-computing.com April/May 2013 issue 129 Informatics in petrochemicals Geological applications Data retrieval Refined solution How HPC is changing the face of oil and gas COMPUTING SOLUTIONS FOR SCIENTISTS AND ENGINEERS Issue 129 April/May 2013 CONTENTS Laboratory Informatics News and products 4 Laboratory informatics systems are fuelling efficiency 6 Fuel the future Tom Wilkie reports on laboratory informatics in the petrochemicals industry As I write this, details of Pangea, Total’s new 2.3-petaflop supercomputer based at Statistical Science the company’s Jean Feger Scientific and Computing Centre (CSTJF) in southwest Retrieving data day queries 10 France, have been released. Felix Grant takes on the challenge of data retrieval and explores the issues Touted as the largest commercial HPC surrounding ballooning volumes system in the world, Pangea represents a valuable resource in the exploration of oil High-Performance Computing and gas reserves and will enable Total’s in- News and products 14 house engineers and geologists to develop more complete visualisations of seismic Digging for black gold 16 landscapes, while concurrently running HPC is a vital part of the oil and gas industry, simulations at 10 times the resolution as Warren Clark discovers of existing oil and gas reservoir models. From laboratory informatics and HPC Modelling and Engineering to modelling and simulation, computing technologies are playing fundamental Technology in Turin 23 roles within petrochemicals and oil and The 6th European Altair Technology Conference is coming gas industries. Our features on pages 6, 16 to Italy in April. We preview the event and 30 provide further perspectives. Within our statistical science section, Simulation software simplifies stress 27 Felix Grant turns his attention to data Tom Wilkie investigates why design engineers are turning retrieval (p10) while we offer a preview to simulation software more often of the upcoming European Altair Technology Conference (p23). Rounding Earth, wind and fire 30 out the issue are a feature on computer- The natural world is increasingly the subject of modelling aided design (p27) and our regular inside and simulation, as Warren Clark discovers view column. Resources Beth Harlen Suppliers’ directory 32 Editor Inside view 34 EDITORIAL AND ADMINISTRATIVE TEAM Advertising production David Houghton magazine, errors or omissions are not the responsibility of Editor Beth Harlen Tel: +44 (0)1223 275 474 the publishers or of the editorial staff. Opinions expressed [email protected] Fax: +44 (0)1223 213 385 are not necessarily those of the publishers or editorial staff. [email protected] All rights reserved. Unless specifically stated, goods or News and web editor Tim Gillett services mentioned are not formally endorsed by Europa Shutterstock.com Specialist reporters Felix Grant, Warren Clark, / CORPORATE TEAM Science Ltd, which does not guarantee or endorse or Tom Wilkie Chairman and publisher Dr Tom Wilkie accept any liability for any goods and/or services featured Zhuda Circulation/readership enquiries Pete Vine Publishing director Warren Clark in this publication. [email protected] Web www.scientific-computing.com US copies:Scientific Computing World (ISSN 1356-7853/ Cover: USPS No 018-753) is published bi-monthly for £100 per ADVERTISING TEAM SUBSCRIPTIONS:Free registration is available to year by Europa Science Ltd, and distributed in the USA Advertising sales Darren Ebbs qualifying individuals. Register online at www.scientific- by DSW, 75 Aberdeen Rd, Emigsville PA 17318-0437. Tel: +44 (0)1223 275 465 computing.com Subscriptions £100 a year for six issues Periodicals postage paid at Emigsville PA. Postmaster: Fax: +44 (0)1223 213 385 to readers outside registration requirements. Single issue Send address corrections to Scientific Computing World PO [email protected] £20. Orders to ESL, SCW Circulation, 9 Clifton Court, Box 437, Emigsville, PA 17318-0437. Business development Sarah Ellis-Miller Cambridge CB1 7BN, UK. Tel: +44 (0)1223 211 170. +44 (0)1223 275 466 Fax: +44 (0)1223 213 385. ©2013 Europa Science Ltd. Subscribe for free at [email protected] Whilst every care has been taken in the compilation of this www.scientific-computing.com/subscribe www.scientific-computing.com l @scwmagazine APRIL/MAY 2013 3 news and products LABORATORY For regular news updates, please visit INFORMATICS www.scientific-computing.com/news Products in brief Careful consolidation? ACD/Labs and SORD Beth Harlen looks more than 400 organisations were from discrete informatics products has capture ‘lost chemistry’ identified within the informatics market, led to mergers and acquisitions. The Selected Organic Reactions at recent changes each with annual revenues of $1 million Accelrys’ purchase of Vialis has Database (SORD) is tapping into within the informatics or more: ‘The vendor community two noteworthy aspects. Firstly, it the vast reserves of chemical has become far too fragmented and exemplifies a push by informatics reaction information from academic market it’s impossible for users to stitch providers to add a services element research that has been locked together all these little, best-of-breed, to their offerings. But this may be away for half a century. Using hen Accelrys aquired point-products and come up with an problematic for the industry. According technology by Advanced Chemistry Vialis earlier this year, it environment and set of capabilities that to Elliott, one of the challenges that Development (ACD/Labs) marked the company’s will meet needs in the longer term. comes with vendors expanding their millions of these reactions will be W fourth such deal in a ‘There’s not a week that goes by service offering is a perception that processed into an electronic format year. Other companies have also been where I don’t get a phone call, email the services are there simply to sell that is accessible over the internet. out shopping – in 2011, for example, or FedEx packet from one of those product. ‘Historically, there really hasn’t Perkin Elmer bought CambridgeSoft, 400 informatics companies looking been a software vendor in this space O3Lims & O3LimsXpress Caliper Life Sciences, Labtronics and to sell itself. Some of those are great that’s been successful in having a truly Bytewize has released version ArtusLabs. opportunities, but most are distressed independent services offering that can 4.3 of its LIMS-systems, O3Lims Insiders believe there will be more situations, where these companies have help customers go through workflow and O3LimsXpress. The systems mergers and acquisitions. What is seen the writing on the wall. They can analysis and determine which products are constantly developing and driving this trend and what are the no longer continue as they have been, fit best,’ he said. customers are automatically implications for scientists? One factor due to the shift in customer behaviours.’ Elliott added that the decision to updated to the latest version is the nature of the vendor community He also noted the financial meet the high valuation of $5 million for without any extra cost. itself, while another is the behaviour and imperatives from higher management Vialis was unexpected, given that for In version 4.3, it is possible expectations of customers. to configure the system to The market is fragmented – there COMPANIES CANNOT CONTINUE AS automatically send status mails are many small companies supplying to the laboratory´s customers as informatics products – so we are seeing THEY have BEEN, DUE TO THE SHIFT the sample passes certain defined a consolidation. But users want to move IN CUSTOMER behaviours steps in the testing process. away from a laboratory that has many ‘siloed’ applications and towards an driving technological consolidation the same level of investment Accelrys Paradigm Scientific integrated, single-solution laboratory. within the laboratory, remarking that, for could have built up its own capability Search Software In part, this convergence is driven example, 10 years ago, a computational within that area. However, Carnecchia Waters has announced it by the needs of scientists, but their chemist in a life sciences company maintained that, rather than trying to ‘roll is expanding its laboratory bosses also want their laboratories to would have had a decent budget and up the space’, Accelrys is attempting informatics offerings with the be more efficient. Michael Elliott, CEO of the freedom to use different systems to assemble a portfolio of capabilities addition of Paradigm Scientific Atrium Research and Consulting, said: for in silico modelling and simulation. both through acquisitions and also Search Software, an information ‘Companies that rely on informatics ‘Fast forward, and half that team has organically, through its own internal access platform. The company are facing substantial cutbacks in been laid off, and the company has had R&D engineering efforts. He pointed out says it takes search beyond basic both capital and expenditure, and the to standardise on one system.’ that while Accelrys has invested more keywords by enabling users to consolidation and closure of sites Convergence can be seen in the than $100 million on acquisitions, it has perform object-based searches throughout the organisation. Generally, behaviour of large vendors such as also spent 22 per cent of revenues on across both structured and when this occurs within the user Waters, which has launched products internal
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