Transcription of Materials Studio: Installation and Administration Guide
1 2014 DassaultSyst ,theCompassiconandthe3 DSlogo,CATIA,SOLIDWORKS,ENOVIA,DELMIA,SI MULIA,GEOVIA,EXALEAD,3 DVIA,BIOVIAandNETVIBES arecommercialtrademarksorregisteredtrade marksofDassaultSyst (figuresand/ordata)obtainedusingBIOVIA software, :"Computationalresultsobtainedusingsoftw areprogramsfromDassaultSyst Center: ,visitBIOVIAS upportontheWeb: | ,thebetterthehardwareconfigurationofyour computer, Pentium 4orcompatibleprocessorrunningat1 GHzorgreaternStandardMicrosoft 2-buttonmouse(3-buttonmouseor2-buttonwhe elmousestronglyrecommended)n1024 768displayresolutionn2 GBRAM(4 GBrecommended) , ,particularlyintermsoftheclientsoftware.
2 NMemory-themoreRAMyourcomputerhas, , , , ,aPCwith2 GBRAM, ,ascreenresolutionof1024 768, (Professional&Enterprise)-SP1(32-bitand6 4-bit)uses32-bitbinaryMaterialsStudiocli entnWindows8(Basic,Professional&Enterpri se)-(32-bitand64-bit) (Basic,Professional&Enterprise)-(64-bito nly)uses32-bitbinaryMaterialsStudioclien tPage2|MaterialsStudio InternetExplorer10 InternetExplorer11 FirefoxESR Chrome ServersystemrequirementsWindowsHardwarem inimumnIntelPentium4orcompatibleprocesso rrunningat1 GHzorgreatern2 GBRAM(4 GBrecommended) ,alleditions-SP2nWindows7(Professional&E nterprise)-SP1n64-bitnWindowsServer2008, alleditions-SP2andR2SP1nWindows7(Profess ional&Enterprise)-SP1nWindows8(Professio nal&Enterprise) (Professional&Enterprise)nWindowsServer2 012,alleditions-baseandR2 Note.
3 Ifyouintendtorunserverapplicationsinpara llelonaWindowssystemthatdoesnothaveanetw orkconnection, (x86-64)processorrunningat1 GHzorgreatern2 GBRAM(4 GBrecommended) | ,speed, (64-bit)nRedHatEnterpriseLinuxServerandD esktop5nRedHatEnterpriseLinuxServer6nRed HatEnterpriseLinuxServer7nSuSE LinuxEnterpriseServer11 SystemlibrariesOnRedHatEnterpriseLinuxan dSuSELinuxEnterpriseServersystems,thesta ndardC++librariesforbackwardcompatibilit yoftheC++ , (32-bitand64-bit) (32-bitand64-bit)libstdc++ (32-bitand64-bit) (32-bitand64-bit)compat-libstdc++ (32-bitand64-bit) (32-bitand64-bit) (32-bitand64-bit)libstdc++ (32-bitand64-bit) (32-bitand64-bit)compat-libstdc++ (32-bitand64-bit) (32-bitand64-bit) (32-bitand64-bit)libstdc++ (32-bitand64-bit) (32-bitand64-bit)compat-libstdc++ (32-bitand64-bit)Page4|MaterialsStudio (32-bitand64-bit) (32-bitand64-bit)libstdc++ (32-bitand64-bit) (32-bitand64-bit)compat-libstdc++ (32-bitand64-bit) (32-bitand64-bit) (32-bitand64-bit)libstdc++ (32-bitand64-bit) (32-bitand64-bit)compat-libstdc++ (32-bitand64-bit)
4 SuSELinuxEnterpriseServer11(SP2) (64-bit) (64-bit)libstdc++ (64-bit) (32-bit) (32-bit)libstdc++ (32-bit)SuSELinuxEnterpriseServer11(SP3) (64-bit) (64-bit)libstdc++ (64-bit) (32-bit) (32-bit)libstdc++ (32-bit)Ifyouhaveanewerversionofapackage thanthoselistedabove, HatlibrariesTocheckiftheappropriatepacka geisinstalledonRedHat,enter:rpm-q<packagename>IfarequiredpackageismissingonRedHat,youc andownloadandinstallitusingtheyumcommand :yuminstall<packagename> :yuminstall<packagename>. |Page5 SuSElibrariesTocheckiftheappropriatepack ageisinstalledonSuSE,enter:rpm-q<packagename>IfyouarerunningSuSELinuxEnterpriseServer andarequiredpackageismissing,askyoursyst emadministratortodownloadandinstallitusi ngYaST(chooseSoftware| SoftwareManagement).
5 X86-64 LinuxclustersIMPORTANT! (x86-64)processorsrunningat1 GHzorgreaternHomogeneousclusters(identic alprocessors,identicalOS,libraries,etc., oneachnode)onlynBeowulfarchitecture,with aheadnodethatholdsthefilesystem,Material sStudioinstallation, (4 GBrecommended)pernodenInterconnects( ) (forMPI)nAlicensefileorlicenseservermust beinstalledontheheadnode, ,speed, ( ).Operatingsystemsnx86-64(64-bit)nRedHat EnterpriseLinuxServerandDesktop5nRedHatE nterpriseLinuxServer6nRedHatEnterpriseLi nuxServer7nSuSE LinuxEnterpriseServer11 Currently,onlytheForcite,Mesocite,CASTEP ,DMol3,DFTB+,GULP,MesoDyn, ,thestandardC++librariesforbackwardcompa tibilityoftheC++ ,32-bitcompatibilitylibrariesarerequired forthePage6|MaterialsStudio |Page7 FindingWindowssysteminformationManysyste mpropertiesforcomputersrunningaWindowsop eratingsystemareavailablefromtheSystemPr opertiesdialog,whichcanbeaccessedbyselec tingSettings|ControlPanel|.
6 AccessedbyselectingPrograms|Accessories| SystemTools| ,includingtheservicepacknumber, ,accessedbyselectingPrograms|Accessories |SystemTools| | , , |MaterialsStudio :<MS_INSTALL> :\ProgramFiles\Accelrys\ :\ProgramFiles(x86)\Accelrys\ :\ProgramFiles(x86)\Accelrys\ "Workingwithgateways" :IfyouhaveaversionoftheMaterialsStudiocl ientalreadyinstalled, ! | , , , , , , , , , , :Ifyouintendtorunserverapplicationsinpar allelonaWindowssystemthatdoesnothaveanet workconnection, , , ,youwillnotbeabletousetheWindowsTaskMana gertokillprocessesspawnedbythegatewayser vice,forexample, , |MaterialsStudio |AdministrativeTools| , !
7 Theaccountnameyouentermusthave"FullContr ol" \Accelrys\MaterialsStudio\ \Gateway-[i686orx64]\root_defaultdirecto ry(where%ALLUSERSPROFILE%isusuallyC:\Pro gramDataonWindows). , :WhenMaterialsStudioisinstalledonWindows systems, :IfyouareinstallingMaterialsStudioforuse withaGaussianserver, :nRPM- ,auseraccountmustexisttoruntheGatewayser vice; , | ,runthe/ , , ,youcanenteritslocation, ,andpossiblygroup, ; :Theinstallercanalsoberuninnon-interacti vemode, ,runthe/ , ,youcanenteritslocation, :Youcanalsousethisinstallationmethodasro ot, , ,theLicensePackmustbeinstalledseparately , , , |MaterialsStudio InstallationandAdministrationGuideCluste rNodeIPAddressConsiderationsWheninstalli ngMaterialsStudioonclusterswheretheheadn odeisconnectedtoatleastoneexternalnetwor kinadditiontotheinternal(inter-node)clus ternetwork(andthusisaddressableviamoreth anoneIPaddressand/orhostname)
8 Networkaddressingissuesmaypossiblyarised uetoMaterialsStudio' "callback"IPaddresstowhichthecomputenode s'IntelMPIsoftwarewillreturnthecomputedd ata, , , ;[name] Linkencap:EthernetHWaddr00:17:A4:8F:65:1 8 [name] , ,withtheexceptionoflo(thelocalloopback). , 'snetworkinterfacesreferstothecluster'si nternalnetwork, <IPaddress>, ; ( )56(84) :icmp_seq=0ttl=64time= ,1received,0%packetloss,time0msrttmin/av g/max/mdev= ms,pipe20%packetlossindicatesthatthehead nodeIPisaccessiblefromthecomputenodeandc onfirmsthatthecomputeandheadnodesareonth esame(internal) , "networkunreachable"errormessage, (orBIOVIAS upport) :%mount-tnfscl1:/home/uidon/home/uidtype nfs(rw,hard,intr,addr=.)
9 InstallingMaterialsStudio |Page13 Ifthehardoptionisspecified, , (seemanautomount),editthe/ ,forexample:/home/ ,addthesameoptionstothemountcommand,fore xample:%mount-ohardcl1:/home/ :Whenyouareexportingasharedfolderfromthe headtochildnodesofthecluster, ( ). ,thenthegatewayprocessisautomaticallyins talled,configured,andstarted, , , , <portnumber>file(<portnumber>isthenumberoftheportusedbythegatewaydaem on)intheGatewaydirectoryatthetopofyourin stallationtreetothe/ :cpmsgateway_control_<portnumber>/ <portnumber>file:/sbin/chkconfig--addmsgateway_contr ol_<portnumber>ConfiguringIntelMPIonparallelLinuxsystem sThemainparametersgoverningparalleljobex ecutioninMaterialsStudioare:ncpucorestot al:ThetotalnumberofCPUsavailableonasyste mnmpicommand.
10 LaunchesMPIandprovidesinformationaboutth eruntimeenvironmentThevaluesofthesevaria blescanbesetupmanuallybyinvokingtheconfi g/configurescript(inthe<MS_INSTALL>/etc/Gateway/directoryofyourinstallation ) |MaterialsStudio "<MS_INSTALL>/ "Alternatively, ,theuserinstallingMaterialsStudiomustbea bletoconnecttotheslavemachine(usuallyloc alhostforSMPsystemsandoneofthenodehostna mesinacluster) (seebelowforinstructionsonhowtoconfigure ssh), ( ).Note:AllthevariablesneededtomodifyInte lMPIruntimebehavior( )aswellasotherimportantLinuxenvironmentv ariablescanbespecifiedinthe<MS_INSTALL>/etc/ ,andforRedHatEnterpriseLinux(bothoperati ngsystemsusetheopensshimplementationofss h,whichisreflectedinthepackagenames).
