ARCHERCSEServiceQuarterlyReport

Quarter42016

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1. ExecutiveSummaryThisreportcoverstheperiod:1October2016to31December2016inclusive.

• CentralisedCSETeam:o WehaveproducedabestpracticeguideforparallelI/OonARCHERthatwill

helpusersgetthebestperformanceoutoftheARCHERfilesystems:http://www.archer.ac.uk/documentation/best-practice-guide/io.php

o TheparallelI/Ostudieshaveledtousproposingthatdefaultstripingbechangedtoimproveresponsivenessandperformanceformostusers.

o InconsultationwithmajorusergroupswehavecompletedapaperproposinganupdatedsetofARCHERbenchmarks.

o WehaveworkedwithSPandCraytoexpandtheperformancemetricsautomaticallygatheredonthesystemtoincludeenergyandmemoryusage.ThisdataisnowimportedintoSAFEandcanbequeriedbyuserstounderstandbettertheresourcestheyareusing.

• Training:o Wedelivered13.5days(250student-days)offace-to-facetraininginthe

quarterat4differentlocations,withanaveragefeedbackscorebetterthan“verygood”.

o Aone-dayhands-oncourse“UsingKnightsLandingManycoreProcessorsonARCHER”wassuccessfullyrunforthefirsttime,andwillformthebasisofanextended2-daycoursetobeheldearlyin2017.

o AnewKNL-specificversionoftheARCHERDrivingTesthasbeenlaunched.o BasedonfeedbackfromARCHERChampions,wehavealsolaunchedaversion

oftheARCHERdrivingtesttargetedatpackageusers(i.e.non-developers).o Theplanforthe2017trainingprogrammewasapprovedbytheARCHER

trainingpanel.• ARCHEROutreachProject:

o TheARCHERImagecompetitionwasverysuccessful,with43imagesreceived.TheARCHERCalendarwasproduced,printedandpostedbeforeChristmas.

o WHPCheldafulldayworkshopandhostedtwoBoFsatSC16andwasrecognisedonceagainintheannualHPCWireReaders’andEditors’ChoiceAwards,receivingtheReaders’Choice:WorkforceDiversityLeadershipAward;theEditors’Choice:WorkforceDiversityLeadershipAwardandtheReaders’Choice:OutstandingLeadershipinHPC,forToniCollis,DirectorofWHPC.

o WedemonstratedWeeArchieattheIETEngineeringtheFutureFestivaltoanestimated300schoolchildren.TheeventwasorganisedbytheInstituteofEngineeringandTechnologyinLondononthe6thOctober.

o WeeArchlet,asmallerbuildyourownRaspberryPiclusterhasbeendevelopedandwillbetestedinQ12017.

o WeheldanOutreachBOFatSC16.Priortothis,aQ&AstylearticlewaspublishedbyHPCWire,whichraisedtheprofileoftheevent.

o Onenewcasestudyisonlineand25eCSEprojecthighlightsarenowavailable.See:http://www.archer.ac.uk/casestudies/andhttp://www.archer.ac.uk/community/eCSE/

• eCSE:o Of72projectsfromthefirst9eCSEcalls,66havenowstartedand47have

alreadycompleted;theremaining6projectsareduetostartwithinthenextquarter.Ofthosecompleted,40finalreportshavebeenreceived.

o TheeCSE09callreceived19proposals;5ofthesewereselectedforfundingatthePanelmeetingon13December,awardingatotalof62personmonths.FollowingonfromfeedbackfromthePanel,theproposalformwasstreamlinedforthiscall.

o AcallforEarlyCareerResearcherPanelObserverswasopenedon16December2016andwillclose17January2017.SuccessfulcandidateswillbechosentoattendPanelmeetingsduring2017.

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2. CollaborationsandOutputsSummary

• Presentations:o AndyTurnerandAdrianJackson,ParallelModelsandScaling,KeynoteTalk,

EuroMPI,Sep2016,EdinburghUKo NickBrown,MONC-highlyscalablecloudmodellingonthelatest

supercomputers,SC16,Nov2016,SaltLakeCity,USAo RupertNash,HemeWeb:Simple,reproduciblebloodflowsimulationinthe

cloudusingcontainers,RCUKCloudWorkshop,Nov2016,London,UKo AdrianJacksonandDavidHenty,ARCHERHPCTraining,ThirdSCWorkshopon

BestPracticesforHPCTraining,Nov2016,SC16,SaltLakeCity,USAhttps://sites.google.com/a/lbl.gov/hpc-training-best-practices/workshops/sc16

o AdrianJackson,ParallelPerformance:MovingMPIapplicationstothenextlevel,IntelHPCDevelopersconference,Nov2016,SaltLakeCity,USAhttp://www.intel.com/content/www/us/en/events/hpcdevcon/technical-sessions.html

o AdrianJackson,NEXTGenIO:MovingI/OintothememorysystembyAdrianJackson,Nov2016,ExascaleI/O:Challenges,InnovationsandSolution,SC16,SaltLakeCity,USA

o NickBrown,MONC-highlyscalablecloudmodellingonthelatestsupercomputers,ComputingInsightUK,Dec2016,Manchester,UK

• Meetings:o AndyTurner,EPSRCSoftwareWorkshop,Oct2016,London

• Papers:o Y.A.G.Fosado,D.Michieletto,J.Allan,C.A.Brackley,O.Henrich,D.Marenduzzo,A

SingleNucleotideResolutionModelforLarge-ScaleSimulationofDoubleStrandedDNA,SoftMatter12,9458-9470(2016).

o O.Wiese,D.Marenduzzo,O.Henrich,MicrofluidicFlowofCholestericLiquidCrystals,SoftMatter12,9223-9237(2016).

• Posters:o NeeloferBanglawala,BespokebonemodellingwithVOX-FE,SC16,Nov2016,

SaltLakeCity,USAo AdrianJackson,MarioAntonioletti,VadimBiktashev,IrinaBiktasheva,,Sanjay

KharcheandTomasStary,BeatBox—HPCSimulationEnvironmentforBiophysicallyandAnatomicallyRealisticCardiacElectrophysiology,SC16,Nov2016,SaltLakeCity,USA

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3. ForwardLook

• KNLSystem:o WewillusethenewARCHERbenchmarks(andothersuitablebenchmarks)to

comparetheperformanceoftheKNLsystemtothemainARCHERsystemandpublishapublicreportwiththefindingstohelptheusercommunitybetterunderstandtheopportunitiesandchallengesassociatedwithKNLtechnology.

• ApplicationLandscape:o Usingthenewmemoryandenergyusagemetricsthatarebeingpulledintothe

SAFEdatabase,wewillanalysethedatareportonenergyandmemoryusageontheservicetoprovideinsightintousage.Thiswillbeusefulinformationforoptimisingthecurrentsystemconfigurationandforanyfuturesystemprocurements.

• ParallelI/O:o AnupdatetotheparallelI/OwhitepapercomparingperformanceonARCHER

withothersystemshasbeenwrittenandiscurrentlyinreview.Thiswillbereleasedandpublicisedshortly.

• Training:o Wewillanalysefeedbackfromtherecenttrainingimpactsurveyandcirculate

thereport.o Anextended2-dayversionoftherecentKNLcoursewillbedeveloped.o Basedonuserfeedbackfromrecentcourses,weplanto:

§ continuetoruninteractiveonlinequizzesduringcoursesusingtheSocrativesystemasthesehavereceivedpositivefeedback;

§ considerthepossibilityofdevelopingnewcoursesonsoftwaretestingandhigh-levelsoftwarearchitecture(feedbackreceivedfrom“PracticalSoftwareDevelopment”);

§ lookatrevisingthematerialfromthenewcourse“WritingScalableParallelApplications”tointroduceamotivatingexampleprogram(fromCFD)attheoutset,returningtoitthroughoutthecourse.

• ARCHEROutreachProject:o EPSRChaveadisplayattheAmericanAssociationfortheAdvancementof

SciencemeetinginBostoninFebruary.WeeArchiehasbeeninvitedtoformpartofthisdisplayandNickBrownwillbeattendingthemeetingtodemonstratethesystem.

o Wewilladdnewinterviewstothe“FacesofHPC”pagetoincreasethenumberofinterviewswhilemaintainingabroadspectrumofindividuals.

o Inearly2017,ARCHERwillrunanIntroductiontoMessagePassingProgrammingcoursethatwillbeaimedattheWomeninHPCcommunity.

o PlanningforWHPCeventsin2017isalreadyunderwaywithsubmissionsforworkshopsatISC2017andSC17,andplanningforthethirdannualWHPCUKeventinthefirsthalfof2017.

o Planningforthe3rdARCHERChampionsWorkshopisunderway.ThiswillbeheldinconjunctionwithHPC-SIGinLeedson9thand10thFebruary,andwillfocusoninteractionswiththenewTier2centres.

o WehaveaboothattheBigBangFairinMarch2017,andeffortinQ12017willfocusonpreparingforthisevent.

o Furthercasestudiesinthepipelineincludeabiomolecularsimulationproject.Wealsoplantodevelopcasestudieswithaselectionofimagecompetitionentries.

• eCSE:o Weareplanningaheadfortheremaining3eCSEcallstobalancetheawardof

theremainingpersonmonthssoastoprovidemaximumbenefittoARCHERusersgiventheremainingtimeleftontheARCHERservice.

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4. ContractualPerformanceReportThisisthecontractualperformancereportfortheARCHERCSEServicefortheReportingPeriods:October2016,November2016andDecember2016.ThemetricswerespecifiedbyEPSRCinSchedule2.2oftheCSEServiceContract.

CSEQueryMetrics

• QE1:ThepercentageofallqueriesnotifiedtotheContractorbytheHelpDeskinaQuarterthattheContractorrespondsto,andagreesaworkplanwith,therelevantEndUserwithin3workinghoursofreceivingthenotificationfromtheHelpDesk.ServiceThreshold:97%;OperatingServiceLevel:98%.

• QE2:ThepercentageofallqueriesnotifiedbytheHelpDesktotheContractorthathavebeensatisfactorilyresolvedorotherwisecompletedbytheContractorwithina4-monthperiodfromthedateitwasfirstnotifiedtotheContractor.ServiceThreshold:80%;OperatingServiceLevel:90%.

• TA1:ThepercentageofalltechnicalassessmentsofsoftwareproposalsprovidedtotheContractorbytheHelpDeskinanyServicePeriodthataresuccessfullycompletedbytheContractorwithin10daysofthetechnicalassessmentbeingprovidedtotheContractorbytheHelpDesk.ServiceThreshold:85%;OperatingServiceLevel:90%.

• FB1:ThepercentageofEndUsersatisfactionsurveysforCSEqueriescarriedoutinaccordancewiththePerformanceMonitoringSystembytheContractorshowingthelevelofEndUsersatisfactiontobe“satisfactory”,“good”or“excellent”.ServiceThreshold:30%;OperatingServiceLevel:50%.

Period Oct-16 Nov-16 Dec-16 Q42016

Metric Perf. SP Perf. SP Perf. SP Perf. Total

QE1 100% -2 100% -2 100% -2 100% -6

QE2 100% -2 100% -2 100% -2 100% -6

TA1 100% -1 100% -1 92% -1 100% -3

FB1 100% -2 100% -2 100% -2 100% -6

Total -7 -7 -7 -21Pink–BelowServiceThreshold

Yellow–BelowOperatingServiceLevelGreen–AtoraboveOperatingServiceLevel

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TrainingMetrics

• FB2:ThepercentageofalltrainingsatisfactionsurveyscarriedoutinaccordancewiththePerformanceMonitoringSystembytheContractor)ineachQuarterthatarerated“good”,“verygood”or“excellent”.ServiceThreshold:70%;OperatingServiceLevel:80%.

Period Oct-16 Nov-16 Dec-16 Q42016

Metric Perf. SP Perf. SP Perf. SP Perf. Total

FB2 100% -1 100% -1 100% -1 100% -3

Total -1 -1 -1 -3Pink–BelowServiceThreshold

Yellow–BelowOperatingServiceLevelGreen–AtoraboveOperatingServiceLevel

ServiceCredits

Period Oct-16 Nov-16 Dec-16

TotalServicePoints -8 -8 -8

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5. CSEQueriesQueriesResolvedinReportingPeriod

MetricDescriptions

In-Depth AlltechnicalqueriespassedtoARCHERCSEteamCourseRegistration RequestsforregistrationonARCHERtraining

coursesorenquiriesaboutregistrationTechnicalAssessment:<Category> RequestforTechnicalAssessmentsofapplications

forARCHERtimeeCSEApplication QueriesrelatingtoeCSEapplications

Atotalof269querieswereresolvedbytheCSEserviceinthereportingperiod.Metric Oct-16 Nov-16 Dec-16 Total %TotalCourseRegistration 94 92 6 192 71.4%In-Depth 8 9 16 33 12.3%eCSEApplication 4 3 11 18 6.7%TechnicalAssessment:Grant 1 2 10 13 4.8%CourseEnquiry 0 1 5 6 2.2%TechnicalAssessment:Instant 1 2 2 5 1.9%TechnicalAssessment:HEC 1 0 0 1 0.4%TechnicalAssessment:RAP 0 0 1 1 0.4%8queryfeedbackresponseswerereceivedonIn-depthqueriesinthereportingperiod.Thisrepresentsa28%returnrateforfeedbackforms.All8responsesregisteredascoreof“Excellent”.ResolvedIn-Depthqueriesfellintothefollowingcategories:Category NumberofQueries %Queries3rdPartySoftware 25 75.8%Userprograms 4 12.1%Compilersandsystemsoftware 2 6.1%Batchsystemandqueues 2 6.1%

In-DepthQueryHighlights

AsmallnumberofIn-DepthquerieshavebeenselectedtoillustratetheworkofthecentralisedCSEteamoverthereportingperiod.Q770825:FHI-AimsAuserwasseeingissueswiththematerialsscienceapplicationFHI-AIMSfreezingatrandompointswhenrunningtheircalculations.TheCSEteamisolatedtheproblemtoasubtleissuewithfloatingpointprecisiondifferencesbetweendifferentparallelprocessesintheapplication,whichwasleadingtothenon-deterministicbehaviour.Theuserwasadvisedonbestpracticeforsettingthemultipleconvergencetolerancesintheapplicationsothatsuchissuescouldbeavoided,andisnowabletoruntheircalculationssuccessfully.Q781145:performancevariabilityUserreportedthattheyseelargeperformancevariationswithidenticalrunsoftheirsimulationusingtheirownapplication(from~20hto~40htimetosolution)andwonderedhowtheymightimprovethissituation.TheCSEservicetookadeepdiveintotheperformanceoftheapplicationtounderstandtheperformancevariation.Theanalysiswasverycomplexastherewerethreeseparateaspectsthatwereintroducingvariability:Lustremetadataserverperformance;Lustrebandwidthcontention;andinterconnectcontention.Weprovidedanupdatedroutinetoimprove

8theperformancewithrespecttotheLustremetadataserver(theoriginalversionwasissuingmanyneedlessopen/closeoperations)andprovideddatatoquantifythevariationfromtheothertwosourcessothattheusercouldbuildenoughcontingencyintotheirjobs.Advicewasprovidedonhowtheusermaychangetheirapplicationtopotentiallydecreaseinterconnectcontentiongoingforwards.Throughoutthequery,theCSEteamkepttheuserawareofhowweweremakingprogresssothattheyunderstoodtheprocessofanalysingtheperformanceandwouldbeabletoputitintopracticethemselvesinthefuturewhendevelopingtheirsoftware.

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In-DepthQueryAnalysis

ThehistogrambelowshowsthetimetoresolutionforIn-Depthqueriesinthecurrentreportingperiod.Themedianresolutiontimeduringthisperiodis1weeks(medianresolutiontimesince1Jan2014is2weeks).

PlotofnumbersofInDepthqueriesreceivedperquarter:

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TechnicalAssessmentAnalysis

AhistogramofthetimetocompletionforTechnicalAssessments(seebelow)revealsthatthemediancompletiontimeforthisquarterwas2days(mediancompletiontimesince1Jan2014is3days).

PlotofnumbersofTechnicalAssessmentsreceivedperquarter:

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6. CentralisedCSETeam:StrategicPrioritiesProgressIncollaborationwithusergroupsandtheotherServicepartners,theCSEserviceidentifiedseveralpriorityareastoinvesttechnicaleffortfromthecentralisedCSEteam.Thissectionsummarisesprogressinthereportingperiodintheseareas.

ParallelI/OPerformance

WehaveupdatedthebenchioparallelI/Oapplication(https://github.com/EPCCed/benchio)toimplementafile-per-processschemeforparallelI/Otocomplimentthesingle-shared-fileschemethatwasalreadyavailable.Thisnewfunctionalityhasbeenusedtobenchmarkthefile-per-processschemeforparallelI/Oandcomparetheperformancetothesinglesharedfilescheme.TheresultsfromthisanalysishaveformedthebasisoftheARCHERparallelI/Obestpracticeguide(http://www.archer.ac.uk/documentation/best-practice-guide/io.php)andthesoontobereleasedwhitepapercomparingparallelI/Oacrossdifferentsystems.ThisworkhasalsoledtoarecommendationthattheARCHERservicechangesthedefaultLustrestripevaluefrom4to1.Thischangewillleadtoimprovedinteractiveresponsivenessandconsistencyofperformanceforalluserswithlittleimpactonperformance.Userswhoperformlarge-scale,shared-fileparallelI/Oalreadyneedtoexplicitlysetthestripecountto-1(maximumstriping)toobtainusefulperformancesothischangeshouldnotimpactthemunduly.Futureworkinthisactivitywilllookat:

• ApplicationspecificI/Operformanceusingmonitoringdatacollectedautomaticallyfromtheservice;

• Statisticalperformancedatatobetterunderstandthevariabilityofperformanceandtheoriginsofanyvariability.

UnderstandingtheARCHERApplicationLandscape

Workhasfocussedontwoareas:• AutomaticcollectionofextendedapplicationdatafromARCHERintoSAFE;• CompletionoftheupdatedARCHERbenchmarkproposalpaperandcollectionofthe

applicationbenchmarkcases.SAFEhasbeenextendedtopulldatafromtheCrayALPSschedulerlogsandfromtheCrayResourceUsageReporting(RUR)tool,andtolinkthedataprovidedbythesesourcestotheexistingjobrecordsinthedatabase.

• CrayALPSlogsprovideinformationontheapplicationbeingusedineachjob(e.g.VASP,Gromacs)anddetailedinformationonhowthecomputeresourcesareusedwithinthejob(numberofprocessespernode,numberofsub-jobswithinthemainjob).

• RURrecordsprovideinformationontheamountofmemoryusedbyeachjobandtheenergyusagebyeachjob.

ByintegratingthisdataintoSAFE,wegaintheabilitytoanalysethedatainwaysbrokendownbyanypropertythatSAFEknowsabout.Forexample,wecouldanalyseapplicationusagebyprojectorresearcharea,orwecouldanalyseenergyusagebyapplicationtype.Wehavecompletedthebenchmarkproposalpaperinconsultationwithmajorusergroupsandhavestartedtogatherthebenchmarkcases.Sofar,wehavegatheredcasesfor3outofthe5applicationbenchmarksandareindiscussionwithusergroupsaroundtheother2applications.FutureworkincludesanalysingthenewdatainSAFEandrunningtheapplicationbenchmarkcasesonARCHERandARCHERKNL.

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7. TrainingInthereportingperiod,theCSEServicehasprovidedatotalof13.5days(250student-days)offace-to-facetrainingacrossfourdifferentlocationsand2.5daysofinteractiveonlinetutorials(averageattendance15pertutorial).Month Dates Course Location Days AttendeesOct2016 11-12

12GPUProgrammingwithCUDAUsingKNLonARCHER

LondonOnline

1.50.5

20

19 BiologicalsystemsinLAMMPS Online 0.5 Nov2016Dec2016

12-3923

28-29

3030Nov–2Dec30Nov–1Dec12-13

UsingKNLonARCHERDataCarpentryLarge-EddySimulationCP2K:RecentperformanceimprovementsSingle-NodePerformanceOptimisationAdjointoceanmodellingMessage-PassingProgrammingwithMPIHands-OnIntroductiontoHPCWritingScalableParallelApplicationsusingMPI

EdinburghEdinburghOnlineOnlineManchesterOnlineLondonNewcastleManchester

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0.50.5

2

0.5322

1522

13

21

26

10

Onthefeedbackforface-to-facecourses,attendeesratethecourseonascaleof1-5(“Verybad”,“Bad”,“Good”,“Verygood”and“Excellent”).Theaveragefeedbackusingthismetricwas4.4,i.e.betterthan“VeryGood”.Usersprovided61feedbackforms,aresponserateof45%.Attheendoftheir12-monthproject,DrivingTestusersareaskedtocompleteasurveyabouttheirexperiences.WerecentlyreceivedverypositivefeedbackfromtwouserswhowerepreparingforafullapplicationforARCHERtime:“ARCHERprovidedeverytoolIexpectedfromanHPCcluster.Ithinktheschemeworkedwell,youshouldprovidethesamequalityinthefuture.MyexperiencewithARCHERisverygood.TheHPCteamisveryhelpfulandIthinktheARCHERdevelopmentenvironmentisuser-friendly.”“Entirelysuccessful.IwasabletogetmyapplicationsrunningonARCHERwithminimumfuss,atleastinpartbecausetheCray/SLURM/intel/gnuenvironmentiswelldesigned(andcommon).”

0.0%

10.0%

20.0%

30.0%

40.0%

50.0%

60.0%

Excellent VeryGood Good Bad VeryBad

ThisquarterPastaverage

1320daysofface-to-facetrainingareplannedforthefirstquarterof2017,plus1.5daysofonlinetraining.Month Dates Course Location Days AttendeesJan2017 11

31Jan–2Feb

ModernFortranCrayOptimizationWorkshop:ARCHERandKnightsLanding

OnlineBristol

0.53

Feb2017 88-10TBC

TBC

ParallelI/OPerformanceAnalysisWorkshopIntroductiontoScientificProgrammingwithPythonMessage-PassingProgrammingwithMPI

OnlineSouthamptonLondonLondon

0.5323

Mar2017

8TBCTBC

TBC

29-31

TBCEfficientParallelIOonARCHERProgrammingtheManycoreKnightsLandingProcessorSingle-SidedCommunicationsShared-MemoryProgrammingwithOpenMP

OnlineDurhamLondonWarwickSouthampton

0.52223

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8. OutreachProjectDiversity

DiversityinHPC(www.hpc-diversity.ac.uk)

Wecontinuetopopulatethe“FacesofHPC”page,whichaimstocelebratediversityintheHPCcommunity.Currentlywehave12interviewsand13historicalbiographiesavailableonline.Overthenextyearwewillcontinuetoaddinterviewstothesepagestoincreasethenumberofbiographieswhilemaintainingrepresentationfromabroadspectrumofindividuals.

WomeninHPC

WHPCheldafulldayworkshopandhostedtwoBoFsatSC16.Bothwerewellattended,withtheworkshopbeingthefirstfulldayeventwehaveheldandthemostsuccessfulworkshoptodate.Of49feedbackformsthatwerecollectedfortheworkshop,respondentsgaveanaveragescoreof4.5outofamaximumof5fortheirexperienceattheworkshop.Thesessionsincluded:methodsforimprovingdiversityintheworkplace;earlycareerdevelopmentincludingpostersforearlycareerwomen;‘SkillstothriveintheHPCcommunity’;aswellascasestudiesontacklingunconsciousbias,stereotypethreatandimplicitbias.

WHPChasbeenrecognisedonceagainintheannualHPCWireReaders’andEditors’ChoiceAwards,receivingthefollowinghonours:

• Readers’Choice:WorkforceDiversityLeadershipAward• Editors’Choice:WorkforceDiversityLeadershipAward• Readers’Choice:OutstandingLeadershipinHPC,forToniCollis,DirectorofWHPC

Inearly2017,ARCHERwillberunninganIntroductiontoMessagePassingProgrammingcoursethatwillbeaimedattheWomenintheHPCcommunity.Inaddition,planningforWHPCeventsin2017isalreadyunderwaywithsubmissionsforworkshopsatISC2017andSC17dueinearlyFebruary2017,andplanningforthethirdannualWHPCUKeventinthefirsthalfof2017.

UserEngagementandSkillsDevelopment

Planningforthe3rdARCHERChampionsWorkshopisunderway.ThiswillbeheldinconjunctionwithHPC-SIGinLeedson9thand10thFebruary.ItwillfocusonintegrationwiththenewTier2centresandregistrationisalreadyopen.TheARCHERchampionswebsitecontainsalistofthecurrentARCHERchampions:http://www.archer.ac.uk/community/champions/names/Finally,wearecurrentlyplanningthenextHands-onPortingandOptimisationWorkshopforQ22017.

Outreach

ThelastquarterhasseensignificantactivityaroundOutreach,withthedevelopmentofWeeArchlet,thebuildingofasecondWeeArchie,workingwithalocalschooltodeveloptheteacherspack,developmentoftheCFDwingdemo,demonstratingweeARCHIEattheIETEngineeringtheFutureFestivalinLondon,andholdinganoutreachBOFatSC16.WeeArchlet:asmallerbuildyourownRaspberryPiclusterhasbeendeveloped.InstructionshavebeenwrittenandwillbetestedinternallyinJan2017withanexpectationofreleasetoexternaltestersinFeb/March2017.

15Teacher’spackandschoolmaterial:workhasprogressedontheschoolmaterials,focusingonthebasicsofcomputersandmovingintotheuseofcomputersinscience.WehavebeenworkingcloselywithalocalPrimaryschooltohelpdevelopthesematerials,workingwithtwoupperprimaryclasses.Thiswillcontinuein2017withtopicsincludingprogramminglinkedtoscienceexperiments,supercomputerusesandconcepts.Asecond“WeeArchie”:hasbeenbuilttomeetdemand.AWing(CFD)Simulationdemonstrationisunderdevelopment.Thishasbeentestedatapubliceventandfutureworkwillfocusonprovidingamoreintuitivefeedbackmechanismforuserstoseetheirwingperformance.Thedemonstrationframework,whichtheWingSimulationisthefirsttouse,willbeupdatedtoreflectfeedbackandobservedperformanceissuesduringQ12017.SC16OutreachBOF:weranaBoFatSupercomputingentitled“HPCOutreach:Promotingsupercomputingtothenextgeneration”.Theaimofthiswastobringtogetherpeoplewhoarecurrentlydoing,orwouldliketodo,outreachandthentoshareideas,successstoriesandmaterials.PriortotheBoFaQ&AstylearticlewaspublishedbyHPCWire(https://www.hpcwire.com/2016/11/09/bof-boost-supercomputing-outreach-skills/)whichraisedtheprofileoftheevent.TheBoFwasledbyEPCCtogetherwithrepresentativesfromPRACE,XSEDE,SouthernCaliforniaEarthquakecentre,andGeorgiaInstituteofTechnology.IETEngineeringtheFutureFestival:organisedbytheInstituteofEngineeringandTechnology,thiswasheldinLondononthe6thOctoberwithanaimofcelebratingtheachievementsoftheglobalengineeringcommunity.WedemonstratedWeeArchie,usingthenewCFDWingdemo,toanestimated300schoolchildren.

ImpactMaterial

Twonewcasestudieshavebeendeveloped.Oneiscurrentlyonline:

• Onenewcasestudyonline:UnderstandingchangesintheGangesriverdeltaunderclimatechangehttps://www.archer.ac.uk/casestudies/ARCHER_casestudy_Bangladesh.pdf

TheotheriscompleteandwillbepublishedonthewebsiteandpublicisedinJan2017:

• Anewfrontierformaterialscience:DesigningNanocompositesinthevirtuallaboratoryLeafletsandpostcardswerecreatedforallthecasestudiesanddisseminatedviatheEPCCboothatSC16.25eCSEhighlights(fromcompletedeCSEprojects)arenowonthewebsite.See:http://www.archer.ac.uk/community/eCSE/.Inaddition,consortiumhighlightsareavailableforaselectionofconsortia,forexampleforUKCPandUKCTRD.See:https://www.archer.ac.uk/community/consortia/ukcp/andhttp://www.archer.ac.uk/community/consortia/ukctrf/.TheARCHERImagecompetitionwasverysuccessful,with43imagesreceived.TheoverallwinnerwasDrPeterFalkingham,LiverpoolJohnMooresUniversitywithhis“Thebirthofafootprint”image.TheARCHERCalendarwasproduced,printedandpostedbeforeChristmas.In2017wewillcontinuetodevelopnewcasestudiestoensurethisremainsfreshandrepresentativeofthescienceandimpactonARCHER.Furthercasestudiesinthepipelineincludeabiomolecularsimulationproject.Wealsoplantodevelopcasestudieswithaselectionofimagecompetitionentries.

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SummaryReportforARCHERChampionsWorkshop1

JosephineBeech-BrandtApril2016ThefirstARCHERChampionsWorkshoptookplaceinEdinburghinMarchandwasalunchtime-lunchtimeonedaymeeting,includinganeveningmeal.Therewere23attendeesand5bursarieswereawardedtocoverreasonabletravelandaccommodationcosts.AsthiswasthefirstworkshopageneraloverviewofseveralaspectsofARCHERwascoveredandalsodiscussionsregardingtheobjectivesforChampions.

TopicsCovered:• WelcomeandObjectivesforARCHERChampions

• OverviewofARCHERasaNationalresourceandhowitfitswithintheNationalHPCInfrastructure

• MigratingtoARCHER:CommonIssuesEncountered

• ToursofARCHER

• ARCHERTraining:Locations,Topics

• SAFEDemonstration

• OutreachSession

• TheeCSEProgramme

• ARCHERSupportStructure:HowweassistusersandaccessroutesforARCHER

• Discussion:ARCHERChampions,wherenext?

Outcomes:• Feedbackfromattendeeswasverypositive

• MailinglistandARCHERwebsitelistofChampionswerecreated

• SlideswereallplacedontheChampionswebsite

• OpportunitytolinkwithRSEFellowsandalsokeyHPC-SIGpersonnel

• Informationgatheredfromthetourandequipment

• CreatedandstrengthenedlinkswithEPSRC,localandregionalHPCcentres,RSEfellows

• WouldlikefutureeventstobecolocatedifpossiblewithHPC-SIG/RSEevents

• Wouldlikemorediscussionandinteractivesessionsifpossible

• NextChampionseventtobeheldinOxfordatOeRCinSeptemberwithfocusontheeCSEactivity

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SummaryReportforARCHERChampionsWorkshop2

JosephineBeech-BrandtOctober2016ThesecondARCHERChampionsWorkshoptookplaceinOxford(thankstoOeRC)inSeptemberandwasalunchtime-lunchtimeonedaymeeting,includinganeveningmeal.Therewere25attendees,10ofwhichhadattendedthefirstChampionsworkshop,and3bursarieswereawardedtocoverreasonabletravelandaccommodationcosts.Therewasanin-depthlookattheeCSEactivity,asessiononthenewlyannouncedKNLsystem,andupdatesfromothersites.Timefordiscussionsessionswasincluded.

TopicsCovered:• HPCServiceProvisionfortheUK

• GPUProvision

• KNLonARCHER

• ARCHERSAFEUpdatesandDevelopments

• OutreachactivitiesusingWeeArchieasafocus

• GettingstartedonARCHER

• Morein-depthlookattheeCSEactivity

Outcomes:• Goodnumberofattendeeswith10repeatattendees(expandifpossibleinfuture)

• Feedbackfromtheattendees(overallverypositive)

• Discussionsessionswentwell(trytoincludemoreinfuture,oneeachhalfsession)

• ChampionsmakinguseofARCHERChampionsProjecttime

• GoodtogetmoreexternalcontributorsandplantoincreaseforChampions3

• LooktomonitorwhatChampionsaredoing

• OpportunitytoengagewithusersandTier-2sites

• SlideswereallplacedontheChampionswebsite

• SlackchannelwithinRSEspacewascreated

• UseofChampionsemailforTrainingandTier2forlocaldissemination

• NextChampionseventwithHPC-SIGinLeedsinFebruarywithfocusonTier2andTraining

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9. EmbeddedCSE(eCSE)

OverviewofeCSEEffort

• TheeCSEpersonmonthsawardeduptoandincludingthe9theCSEcallareshowninblue• Atleast840personmonthswillbeawardedbytheendoftheproject(14FTEsfor5

years)• 732personmonthshavebeenawardedsofarover72supportedeCSEprojects

eCSECall1–Call9

eCSEcall

No.proposals

No.projectsawarded

No.personmonthsawarded

No.projectsstarted

No.projectscompleted

No.finalreportsreceived

Notes

eCSE01 19 14 132 14 14 14

eCSE02 17 9 82 9 9 8

1latefinalreportisbeingpursued.

eCSE03 16 10 96 10 9 7

1latefinalreportisbeingpursued.Thefinalreportfortheothercompletedprojectisnotdueyet.

eCSE04 16 8 82 8 6 5

1latefinalreportisbeingpursued.

eCSE05 14 8 94 8 7 5

Thefinalreportforthecompletedprojectsarenotdueyet.

19

eCSE06 9 5 47 5 2 1

Thefinalreportforthecompletedprojectisnotdueyet.

eCSE07 16 5 49 5 0 0 eCSE08 21 8 88 7 0 0 eCSE09 19 5 62 0 0 0 Total 147 72 732 66 47 40

• Ariskanalysisiscarriedoutonallsuccessfulproposals.Forthetwomostrecentcalls(eCSE08andeCSE09),allprojectswereidentifiedashavingeitherloworverylowrisk,apartfromthefollowing:

o eCSE08-9wasidentifiedasbeingofmediumriskduetoachangeofstaffing.§ ThenewstaffmemberhasbeenapprovedbythePanelChairandthe

projectisnowawaitingthesigningofthecontract.Wewillmonitorthistoensuretheprojectgetsunderwayandprogressessuccessfully.

o eCSE08-10wasidentifiedasbeingofmediumriskduetoissuesraisedbyCambridgeUniversityinvolvingtheIPandtherelationshipwiththeCASTEPgroup.

§ Theseissuesappeartohavebeenresolvedasacontracthasrecentlybeensigned,butwewillmonitorthisastheprojectprogresses.

o eCSE09-8wasidentifiedasbeingofmediumriskduetohavingbeenawarded19personmonths.ThisisahigherlevelofeffortawardedthanforanyothereCSEproject,where15personmonthswastheprevioushighest.

§ Ofthe19monthsawardedforthisproject,7areforamemberoftheARCHERCSEteamandtheworkwillbemonitoredthroughEPCC'sstandardprojectmonitoringprocesses.Theremaining12areforanexternalmemberofstaffatthePI'sinstitutionandwillbemonitoredviaregularcontactwiththePI.

• ThefollowingARCHERwebinarsweregivenoncompletedeCSEprojects(thefirsttwoweregivenasajointsession):

o 19October2016-eCSE04-07–“Multi-resolutionmodellingofbiologicalsystemsinLAMMPS”,IainBethuneandOliverHenrich

o 19October2016-eCSE05-10–“Multi-resolutionmodellingofbiologicalsystemsinLAMMPS”,IainBethuneandOliverHenrich

o 9November2016–eCSE05-14–“Large-EddySimulationCodeforCityScaleEnvironments”,ZTongXieandVladimirFuka

o 23November2016–eCSE06-6–“CP2K:RecentperformanceimprovementsandnewTD-DFTfunctionality”,IainBethuneandMatthewWatkins

o 30November2016-eCSE03-9-“AdjointoceanmodellingwithMITgcmandOpenAD”,DanJonesandGavinPringle

eCSECall10

• TheeCSE10callopenedon6December2016andwillcloseon31January2017

FutureeCSECalls

• eCSEcallsareruntoaregularschedule.Thefuturecallsare:o eCSE11:opens28March,2017andclosesat4pmonTuesday9May,2017o eCSE12:opens1August,2017andclosesat4pmonTuesday12September,

2017