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[資源]
【原創(chuàng)】在Fedora下安裝Materials Studio 4.3 已有3人參與
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系統(tǒng)環(huán)境:Fedora 12 i386 chs,運(yùn)行于VMWare 7下。 直接安裝Materials Studio 4.3會(huì)確定無(wú)疑的提示如下(比如只選擇3號(hào),也就是CASTEP安裝。): Checking for dependencies for CASTEPServer:7 Checking for dependencies for CASTEP: None Checking for dependencies for Licensing:1 Checking for dependencies for LicensePack: None Aborting Materials Studio installation. 然后看到當(dāng)前用戶(hù)目錄下,只有個(gè)空蕩蕩的Accelrys的文件夾。 其實(shí),上面那些依賴(lài)信息和數(shù)字,并不是失敗的根源,有興趣的同學(xué)可以參考一下安裝盤(pán)中/UNIX/installer/Linux/default下三個(gè)配置文件就明白了。 具體發(fā)現(xiàn)如何修改的過(guò)程就不說(shuō)了,其實(shí)在T2050的破CPU的老本本下跑VM還是很痛苦的,并且Materials Studio也是個(gè)大軟件,為了查找發(fā)生錯(cuò)誤的根源,從最基本的install.log(寫(xiě)個(gè)腳本在刪除前拷貝出)開(kāi)始入手,一點(diǎn)點(diǎn)的翻閱可能有關(guān)的所有安裝用腳本、配置文件和安裝包,折騰了三個(gè)小時(shí)才搞定。幸好自己有不少寫(xiě)C/C++玩的經(jīng)驗(yàn),否則這么多代碼,估計(jì)得看到明天早晨了。 直接入正題了。 做兩處修改,第一個(gè),/UNIX/Installer/lib/InstallTools.pm中,有個(gè)子函數(shù)GetOSVersion。其中校驗(yàn)了兩個(gè)系統(tǒng)。把出現(xiàn)的四個(gè)redhat-release都修改為fedora-release。 第二個(gè),/UNIX/Installer/lib/LicensePack.pm中,有一段是安裝證書(shū)包的,問(wèn)題出在if的檢驗(yàn)上。原來(lái)的代碼: if ( system( "$SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer" ) != 0 ) 直接在終端測(cè)試,無(wú)法運(yùn)行call_lp_setup.csh,所以結(jié)果肯定是非零,根據(jù)判斷非零所需要調(diào)用的代碼,大家很痛心疾首的: print "Aborting Materials Studio installation.\n"; system("rm -rf $MSInstallRoot" ;于是,直接更新了csh腳本執(zhí)行命令,然后為了防止系統(tǒng)默認(rèn)并不是執(zhí)行的csh而是其他腳本命令,直接在代碼強(qiáng)制執(zhí)行csh,所以這段代碼就成為了: if ( system( "csh $SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer" ) != 0 ) 于是再進(jìn)行安裝,一切順利。 順便后悔一下安裝了Linux Security,居然把我的Gataway給攔截了。以前還攔截了Adobe Reader,崩潰。 另外,由于Ubuntu是基于Debian的,使用的包的類(lèi)型與Red Hat和SUSE都不太相同,想要做修改安裝的同學(xué),要再多加點(diǎn)油了。至少現(xiàn)在,F(xiàn)edora和CentOS應(yīng)該是都沒(méi)有問(wèn)題的了。 當(dāng)然了,前提是先需要把安裝文件從ISO中拷貝到硬盤(pán)上,否則是無(wú)法修改后保存的。 修改后的安裝過(guò)程入下(終端過(guò)程,由于VM中劃分的硬盤(pán)空間比較小,所以只安裝了CASTEP作為例子,其他的也都沒(méi)有問(wèn)題): |
科研技巧 | MS & VASP | 模擬 | Materials Studio |
專(zhuān)家顧問(wèn) (著名寫(xiě)手)
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專(zhuān)家經(jīng)驗(yàn): +174 |
成功在Ubuntu 11.10上安裝了MS 5.0,并且測(cè)試計(jì)算CASTEP成功~安裝步驟同上,啟動(dòng)密鑰管理需要找Debian的ia32-lib庫(kù)和幾個(gè)要求的庫(kù)文件,這個(gè)就是花點(diǎn)時(shí)間。 HPMPI方面,可能會(huì)提示缺少一個(gè)包,這個(gè)包在Ubuntu的源里有,不重復(fù)了,唯一的問(wèn)題就是可能需要重新把安裝過(guò)的MS再裝一邊,因?yàn)镃ASTEP似乎只認(rèn)HPMPI~ 然后是SSH的設(shè)置,不知道為什么,在Ubuntu下不能自動(dòng)的SSH免密碼登錄,要手動(dòng)設(shè)置一下才可以。 最后是幾個(gè)量的問(wèn)題,出在Accelrys/MaterialsStudio50/share/bin/runMSserver.sh,由于Ubuntu下不知道為什么,不支持形如: export DSD_ROOT=$MS_INSTALL_ROOT/etc/Gateway/root_default/dsd 的bash語(yǔ)句,所以不得不把這個(gè)拆開(kāi)來(lái)寫(xiě): DSD_ROOT=$MS_INSTALL_ROOT/etc/Gateway/root_default/dsd export DSD_ROOT 一共是三個(gè)這樣的語(yǔ)句吧。 現(xiàn)在唯一剩下的問(wèn)題,就是必須要把所有文件放在$HOME下才能運(yùn)行,并且所有中間文件也都在$HOME下,如果有喜歡Ubuntu/Debian系統(tǒng)又想用Materials Studio的,可以一起來(lái)琢磨琢磨哦~ 當(dāng)然,我折騰這個(gè),純粹是因?yàn)閷?shí)驗(yàn)室別人的電腦上是Ubuntu,在上面安裝Materials Studio絕對(duì)是個(gè)挑戰(zhàn)而已~個(gè)人自己的電腦還是雷打不動(dòng)的RHEL/CentOS一派的~ |
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專(zhuān)家經(jīng)驗(yàn): +174 |
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給自己補(bǔ)充一下,順便搶個(gè)沙發(fā)。 一直以來(lái),都是在實(shí)體實(shí)驗(yàn)的間隙,在Windows下用Materials Studio算點(diǎn)數(shù)據(jù),希望能豐富實(shí)驗(yàn)的結(jié)果,能出好點(diǎn)的論文的(陶瓷那東西,實(shí)驗(yàn)不確定因素太多,模擬也不好建模,有時(shí)很讓人抓狂)。 后來(lái)在臺(tái)機(jī)上安裝了Red Hat Enterprise Linux 5.5,自然是安裝Materials Studio沒(méi)問(wèn)題,并且發(fā)現(xiàn)在Linux下,MS的效率似乎更高一些。 但是由于RHEL是要收費(fèi)的,免費(fèi)的只能盜用CentOS的源,系統(tǒng)混合了不說(shuō),很多軟件都因?yàn)殚_(kāi)發(fā)包太低,依賴(lài)關(guān)系太低裝不上,上次安裝個(gè)ffmpeg插件都搞了兩天,結(jié)果還沒(méi)弄好(扯遠(yuǎn)了)。不過(guò)Fedora在娛樂(lè)上還是很不錯(cuò)的,并且源很豐富,界面也精彩,很適合不太懂Linux的新人使用。 相信這篇帖子是能幫到一部分人的。 當(dāng)然了,在Fedora和Red Hat下用MS效率有沒(méi)有差別,就沒(méi)有測(cè)試了~ 至于測(cè)試Materials Studio 4.3,是因?yàn)槭诸^只有4.3和5.0的兩個(gè)Linux版,5.0太大,VM中硬盤(pán)空間不夠……但是相信這兩個(gè)都可以用同樣的方法修改安裝腳本后進(jìn)行安裝的。 [ Last edited by souledge on 2010-11-20 at 23:50 ] |
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RHEL是可以用的,穩(wěn)定,用于計(jì)算的計(jì)算機(jī)不要頻繁更新,一般也不接外網(wǎng),更新的那些對(duì)計(jì)算是沒(méi)有什么意義的,還容易引入其他問(wèn)題,所以RHEL的更新不是拒絕使用的理由,如果一定要更新的話用CENTOS也是不錯(cuò)的選擇。 Fedora更適用于個(gè)人版的桌面,應(yīng)用程序全而新,但對(duì)于計(jì)算來(lái)說(shuō),就未必有益了。個(gè)人覺(jué)得,無(wú)論用哪一類(lèi)系統(tǒng),穩(wěn)定是最重要的,不要把時(shí)間都花在系統(tǒng)調(diào)試和安裝上。 |
木蟲(chóng) (小有名氣)
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木蟲(chóng) (正式寫(xiě)手)
木蟲(chóng) (正式寫(xiě)手)
銀蟲(chóng) (小有名氣)
專(zhuān)家顧問(wèn) (著名寫(xiě)手)
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專(zhuān)家經(jīng)驗(yàn): +174 |
我暈~這帖子也有D版的啊:http://www.linux88.info/Fedora/2011094918.html,看就是用Google翻譯的……連“破T2050”都給翻譯成了“Broken T2050”…… |
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popeye@popeye-Lenovo$~/MaterialsStudio50/UNIX/installer>csh call_lp_setup.csh The program 'csh' can be found in the following packages: * csh * tcsh Try: sudo apt-get install 以上的提醒是沒(méi)有安裝csh 以下是安裝過(guò)程 popeye@popeye-Lenovo$/home>sudo apt-get install csh(回車(chē)后輸入密碼,然后等待自動(dòng)安裝完成) [sudo] password for popeye: Reading package lists... Done Building dependency tree Reading state information... Done The following packages were automatically installed and are no longer required: linux-headers-3.2.0-29 linux-headers-3.2.0-29-generic-pae Use 'apt-get autoremove' to remove them. The following NEW packages will be installed: csh 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 238 kB of archives. After this operation, 401 kB of additional disk space will be used. Get:1 http://run6.hit.edu.cn/ubuntu/ precise/universe csh i386 20110502-2ubuntu1 [238 kB] Fetched 238 kB in 0s (1,143 kB/s) Selecting previously unselected package csh. (Reading database ... 267042 files and directories currently installed.) Unpacking csh (from .../csh_20110502-2ubuntu1_i386.deb) ... Processing triggers for doc-base ... Processing 1 added doc-base file... Registering documents with scrollkeeper... Processing triggers for man-db ... Setting up csh (20110502-2ubuntu1) ... update-alternatives: using /bin/bsd-csh to provide /bin/csh (csh) in auto mode. popeye@popeye-Lenovo$/home>lt |
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popeye@popeye-Lenovo$~/MaterialsStudio50/UNIX>./Install Running Materials Studio installer for platform Linux... Please specify an absolute destination path [/home/popeye/Accelrys/MaterialsStudio50] : /home/popeye/Accelrys/MaterialsStudio50 already exists. Do you wish to continue? [Y/n]: y Please choose the packages you wish to install: 1. AmorphousCell Server 2. Blends Server 3. CASTEP Server 4. CCDC Servers (ConQuest, Motif) 5. Conformers Server 6. DFTB+ Server 7. DMol3 Server 8. DPD Server 9. Discover Server 10. Equilibria Server 11. Forcite Server 12. GULP Server 13. Gaussian Server 14. Kinetix Server 15. MesoDyn Server 16. Mesocite Server 17. Mesotek Server 18. Morphology Server 19. ONETEP Server 20. Polymorph Server 21. QMERA Server 22. QSAR Models Server 23. Reflex+ Server 24. Reflex QPA Server 25. Reflex Server 26. Sorption Server 27. Structures Library 28. VAMP Server 29. Everything Enter items to install (e.g. 1,2,5) , or Q to quit : 29 Starting installation... Install log in /home/popeye/Accelrys/MaterialsStudio50/install.log Installing everything... Checking for dependencies for AmorphousCellServer:6 Checking for dependencies for AmorphousCell: None Checking for dependencies for Licensing:1 Checking for dependencies for LicensePack: None Initializing InstallShield Wizard........ Launching InstallShield Wizard........ ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Welcome to the InstallShield Wizard for Accelrys License Pack 7.6.2 The InstallShield Wizard will install Accelrys License Pack 7.6.2 on your computer. To continue, choose Next. Accelrys License Pack 7.6.2 Accelrys Software Inc. http://www.accelrys.com Press 1 for Next, 3 to Cancel or 5 to Redisplay [1] 1 ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Accelrys License Pack 7.6.2 Install Location Please specify a directory or press Enter to accept the default directory. Destination Directory [/home/popeye/Accelrys] Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 /home/popeye/Accelrys/LicensePack/etc/lp_cshrc: No such file or directory. ------------------------------------------------------------------------------- IMPORTANT: It is recommended to stop the license manager, if currently running, prior to updating the License Pack used by the license server and to restart the license manager after completing the installation. ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Select the features for "Accelrys License Pack 7.6.2" you would like to install: Accelrys License Pack 7.6.2 To select/deselect a feature or to view its children, type its number: 1. [x] LicensePack (required) (installed) 2. [x] Compatibility LicensePack (required) (installed) The Compatibility LicensePack is required for supporting Accelrys software shipped with License Packs 6.x or lower and to support IRIX and Solaris platforms. See License Pack documentation for complete list of Accelrys software supported by this License Pack. Other options: 0. Continue installing Enter command [0] 0 Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Accelrys License Pack 7.6.2 will be installed in the following location: /home/popeye/Accelrys/LicensePack with the following features: LicensePack Compatibility LicensePack for a total size: 168.9 MB Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 rm: cannot remove `LIC_CONFIG': No such file or directory ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Installing Accelrys License Pack 7.6.2. Please wait... |-----------|-----------|-----------|------------| 0% 25% 50% 75% 100% |||||||||||||||||||||||||||||||||||||||||||||||||| Creating uninstaller... Finalizing the Vital Product Data Registry. Please wait... Configuring License Pack ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard The InstallShield Wizard has successfully installed Accelrys License Pack 7.6.2. Choose Finish to exit the wizard. Press 3 to Finish or 5 to Redisplay [3] 3 Checking for dependencies for SharedSetup:4 Checking for dependencies for IntelRuntime: None Checking for dependencies for HPMPI:1 Do HP-MPI Installation -- MesoDyn server selected. No usable HP-MPI installation could be detected. HP-MPI version 2.03.01.00 or higher must be installed if you intend to run any computations in parallel. To achieve this, run the commands: su root rpm -ivh Linux/hpmpi/hpmpi-2.03.01.00-20090402r.i386.rpm Then restart the Materials Studio installer. See the HP-MPI release notes in Linux/hpmpi/hp-mpi-2.03.01.00.rn.pdf for further information. Alternatively you can install hpmpi to a folder you have write permissions for. Perform non-root installation? [y/N] y rpm2cpio not found, sorry but this tool is necessary for performing this operation. Proceed with installation without hpmpi? [Y/n] y Should HPMPI use SSH? [Y/n]: y Configuring HP-MPI installation Setting up machines.LINUX file in /home/popeye/Accelrys/MaterialsStudio50/share/data Checking for dependencies for GatewayTmp: None Please specify the location for temporary files (required for certain computational servers), e.g., /tmp or /usr/tmp. Enter ./tmp if you prefer to create these files in the directory where the job is being run. Please note that the ./tmp setting could create additional I/O overhead and thereby affect performance [/tmp] : Checking for dependencies for GatewayScripts: None Configuring environment setup Setting installation path in environment setup script files Checking for dependencies for Gateway:4 Checking for dependencies for perl: None Checking for dependencies for apache: None Configuring Gateway to use default port ../../bin/perl: 4: [: ../..: unexpected operator Configuring Gateway for supported queueing systems ../../bin/perl: 4: [: ../..: unexpected operator Checking for dependencies for PPComponents: None Checking for dependencies for Discover: None Creating Stand alone AmorphousCell script /home/popeye/Accelrys/MaterialsStudio50/etc/AmorphousCell/bin/RunAmorphousCell.sh Checking for dependencies for CASTEPServer:4 Checking for dependencies for CASTEP: None Checking for dependencies for MatServer:34 Checking for dependencies for MKL:1 Checking for dependencies for boost: None Checking for dependencies for xpcom: None Checking for dependencies for xpidl: None Checking for dependencies for WinCE: None Checking for dependencies for MS3rdParty: None Checking for dependencies for ApplicationComponents: None Checking for dependencies for ApplicationLibraries: None Checking for dependencies for Container: None Checking for dependencies for ContainerInterfaces: None Checking for dependencies for ContainerRootConsumer: None Checking for dependencies for ContainerUtils: None Checking for dependencies for DataModel: None Checking for dependencies for Documents: None Checking for dependencies for DocumentsInterfaces: None Checking for dependencies for Libraries: None Checking for dependencies for SDK: None Checking for dependencies for Services: None Checking for dependencies for ServicesInterfaces: None Checking for dependencies for Scripting: None Checking for dependencies for Simulations: None Checking for dependencies for ViewersInterfaces: None Checking for dependencies for Visualizer: None Checking for dependencies for VisualizerInterfaces: None Checking for dependencies for QSAR: None Checking for dependencies for QSARApplications: None Checking for dependencies for Polymer: None Checking for dependencies for MSExampleData: None Creating Stand alone MatServer script /home/popeye/Accelrys/MaterialsStudio50/etc/MatServer/bin/RunMatServer.sh Checking for dependencies for Quantum: None Creating Stand alone CASTEP script /home/popeye/Accelrys/MaterialsStudio50/etc/CASTEP/bin/RunCASTEP.sh Checking for dependencies for DMol3Server:4 Checking for dependencies for DMol3: None Creating Stand alone DMol3 script /home/popeye/Accelrys/MaterialsStudio50/etc/DMol3/bin/RunDMol3.sh Checking for dependencies for DPDServer:7 Checking for dependencies for DPD: None Creating Stand alone DPD script /home/popeye/Accelrys/MaterialsStudio50/etc/DPD/bin/RunDPD.sh Checking for dependencies for DiscoverServer:6 Creating Stand alone Discover script /home/popeye/Accelrys/MaterialsStudio50/etc/Discover/bin/RunDiscover.sh Checking for dependencies for EquilibriaServer:7 Checking for dependencies for Equilibria: None Creating Stand alone Equilibria script /home/popeye/Accelrys/MaterialsStudio50/etc/Equilibria/bin/RunEquilibria.sh Checking for dependencies for GaussianServer:5 Checking for dependencies for Gaussian: None You have chosen to install the Gaussian server but Gaussian seems not to be installed on this machine. Before using the Gaussian server please make sure that Gaussian is installed. Press ENTER to continue: Checking for dependencies for MesoDynServer:6 Checking for dependencies for MesoDyn: None Creating Stand alone MesoDyn script /home/popeye/Accelrys/MaterialsStudio50/etc/MesoDyn/bin/RunMesoDyn.sh Checking for dependencies for ReflexPlusServer:6 Checking for dependencies for Analytical: None Checking for dependencies for ReflexServer:5 Checking for dependencies for PowderIndexing: None Checking for dependencies for Structures:1 Checking for dependencies for MSStructures: None Checking for dependencies for VAMPServer:6 Checking for dependencies for VAMP: None Creating Stand alone VAMP script /home/popeye/Accelrys/MaterialsStudio50/etc/VAMP/bin/RunVAMP.sh Checking for dependencies for QMERAServer:7 Checking for dependencies for QMERA: None Checking for dependencies for GULP: None Creating Stand alone QMERA script /home/popeye/Accelrys/MaterialsStudio50/etc/QMERA/bin/RunQMERA.sh Checking for dependencies for GULPServer:6 Creating Stand alone GULP script /home/popeye/Accelrys/MaterialsStudio50/etc/GULP/bin/RunGULP.sh Checking for dependencies for ONETEPServer:6 Checking for dependencies for ONETEP: None Creating Stand alone ONETEP script /home/popeye/Accelrys/MaterialsStudio50/etc/ONETEP/bin/RunONETEP.sh Checking for dependencies for MesotekServer:6 Checking for dependencies for Mesotek: None Creating Stand alone Mesotek script /home/popeye/Accelrys/MaterialsStudio50/etc/Mesotek/bin/RunMesotek.sh Checking for dependencies for KinetixServer:5 Checking for dependencies for Kinetix: None Creating Stand alone Kinetix script /home/popeye/Accelrys/MaterialsStudio50/etc/Kinetix/bin/RunKinetix.sh Checking for dependencies for BlendsServer:2 Checking for dependencies for Docking: None Checking for dependencies for ConformerSearchServer:2 Checking for dependencies for DFTBServer:4 Checking for dependencies for DFTB: None Checking for dependencies for Nano: None Creating Stand alone DFTB script /home/popeye/Accelrys/MaterialsStudio50/etc/DFTB/bin/RunDFTB.sh Checking for dependencies for ForciteServer:2 Checking for dependencies for MesociteServer:3 Checking for dependencies for Meso: None Checking for dependencies for MorphologyServer:2 Checking for dependencies for Crystallization: None Checking for dependencies for PolymorphServer:2 Checking for dependencies for QSARModelsServer:2 Checking for dependencies for FastDesc: None Checking for dependencies for ReflexQPAServer:2 Checking for dependencies for SorptionServer:2 Checking for dependencies for CCDCServers:3 Checking for dependencies for CCDC: None You have chosen to install the CCDC servers, but neither ConQuest nor Motif appear to be installed. Please make sure that these servers are present before attempting to use them. Press ENTER to continue: Checking for dependencies for QSARInterfaces: None If you would like the Gateway at /home/popeye/Accelrys/MaterialsStudio50/etc to be started automatically when the system is restarted you will need to get your administrator to place a copy of /home/popeye/Accelrys/MaterialsStudio50/etc/Gateway/msgateway_control_18888 in /etc/rc.d/init.d/msgateway_control_18888 and run: /sbin/chkconfig --add msgateway_control_18888 Please refer to the installation instructions for more details. A Materials Studio Gateway provides access to server components installed on your machine. By default the Gateway is configured to use minimum security. You can use the Gateway configuration tools after installation to enforce higher levels of security. The servers in this installation will not be available from the Materials Studio visualizer until the Gateway has been started. If you choose not to start the Gateway now you will need to start it manually after this installation has completed. Please refer to the help text on the CD for instructions on how to start, stop, and customize your Gateway configuration. Would you like to start the Gateway service now? [Y/n]: y Starting gateway... ../../bin/perl: 4: [: ../..: unexpected operator Registering XPCom components; this may take a while... System configuration details for HP-MPI These checks assume that the default user authentication mechanism is being used. Your System Administrator may have chosen to use an alternative mechanism. If you find that parallel jobs fail you should consult your System Administrator and ask them to perform appropriate configuration work. For further details please refer your System Administrator to the installation documentation under the info folder on your installation CD Checking remote shell settings for MPI openssh package is installed. 1) Enter temporary license password 2) Set connection to license server 3) List command line license administration tools 99) Finished with license configuration Choose one of the above options: |
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cic08@cic08:~/UNIX$ ./Install --type cluster Running Materials Studio installer for platform Linux_x86_64... Please specify an absolute destination path [/home/cic08/Accelrys/MaterialsStudio50] : Please choose the packages you wish to install: 1. AmorphousCell Server 2. Blends Server 3. CASTEP Server 4. CCDC Servers (ConQuest, Motif) 5. Conformers Server 6. DFTB+ Server 7. DMol3 Server 8. DPD Server 9. Discover Server 10. Equilibria Server 11. Forcite Server 12. GULP Server 13. Gaussian Server 14. Kinetix Server 15. MesoDyn Server 16. Mesocite Server 17. Mesotek Server 18. Morphology Server 19. ONETEP Server 20. Polymorph Server 21. QMERA Server 22. QSAR Models Server 23. Reflex+ Server 24. Reflex QPA Server 25. Reflex Server 26. Sorption Server 27. Structures Library 28. VAMP Server 29. Everything Enter items to install (e.g. 1,2,5) , or Q to quit : 29 Starting installation... Install log in /home/cic08/Accelrys/MaterialsStudio50/install.log Installing everything... Checking for dependencies for AmorphousCellServer:6 Checking for dependencies for AmorphousCell: None Checking for dependencies for Licensing:1 Checking for dependencies for LicensePack: None Initializing InstallShield Wizard........ Launching InstallShield Wizard........ ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Welcome to the InstallShield Wizard for Accelrys License Pack 7.6.2 The InstallShield Wizard will install Accelrys License Pack 7.6.2 on your computer. To continue, choose Next. Accelrys License Pack 7.6.2 Accelrys Software Inc. http://www.accelrys.com Press 1 for Next, 3 to Cancel or 5 to Redisplay [1] ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Accelrys License Pack 7.6.2 Install Location Please specify a directory or press Enter to accept the default directory. Destination Directory [/home/cic08/Accelrys] Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Select the features for "Accelrys License Pack 7.6.2" you would like to install: Accelrys License Pack 7.6.2 To select/deselect a feature or to view its children, type its number: 1. [x] LicensePack 2. [ ] Compatibility LicensePack The Compatibility LicensePack is required for supporting Accelrys software shipped with License Packs 6.x or lower and to support IRIX and Solaris platforms. See License Pack documentation for complete list of Accelrys software supported by this License Pack. Other options: 0. Continue installing Enter command [0] 2 Select the features for "Accelrys License Pack 7.6.2" you would like to install: Accelrys License Pack 7.6.2 To select/deselect a feature or to view its children, type its number: 1. [x] LicensePack 2. [x] Compatibility LicensePack The Compatibility LicensePack is required for supporting Accelrys software shipped with License Packs 6.x or lower and to support IRIX and Solaris platforms. See License Pack documentation for complete list of Accelrys software supported by this License Pack. Other options: 0. Continue installing Enter command [0] Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Accelrys License Pack 7.6.2 will be installed in the following location: /home/cic08/Accelrys/LicensePack with the following features: LicensePack Compatibility LicensePack for a total size: 256.1 MB Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard Installing Accelrys License Pack 7.6.2. Please wait... |-----------|-----------|-----------|------------| 0% 25% 50% 75% 100% |||||||||||||||||||||||||||||||||||||||||||||||||| Creating uninstaller... Finalizing the Vital Product Data Registry. Please wait... Configuring License Pack ------------------------------------------------------------------------------- Accelrys License Pack 7.6.2 - InstallShield Wizard The InstallShield Wizard has successfully installed Accelrys License Pack 7.6.2. Choose Finish to exit the wizard. Press 3 to Finish or 5 to Redisplay [3] Checking for dependencies for SharedSetup:4 Checking for dependencies for IntelRuntime: None Checking for dependencies for HPMPI:1 Do HP-MPI Installation -- cluster install requested. Please remember that HP-MPI must be installed on each node of the cluster. Do you still want to continue the installation? [Y/n]: Should HPMPI use SSH? [Y/n]: Configuring HP-MPI installation Setting up machines.LINUX file in /home/cic08/Accelrys/MaterialsStudio50/share/data Checking for dependencies for GatewayTmp: None Please specify the location for temporary files (required for certain computational servers), e.g., /tmp or /usr/tmp. Enter ./tmp if you prefer to create these files in the directory where the job is being run. Please note that the ./tmp setting could create additional I/O overhead and thereby affect performance [/tmp] : Checking for dependencies for GatewayScripts: None Configuring environment setup Setting installation path in environment setup script files Checking for dependencies for Gateway:4 Checking for dependencies for perl: None Checking for dependencies for apache: None Configuring Gateway to use default port Configuring Gateway for cluster access ../../bin/perl: 4: [: ../..: unexpected operator Configuring Gateway for supported queueing systems ../../bin/perl: 4: [: ../..: unexpected operator Checking for dependencies for PPComponents: None Checking for dependencies for Discover: None Creating Stand alone AmorphousCell script /home/cic08/Accelrys/MaterialsStudio50/etc/AmorphousCell/bin/RunAmorphousCell.sh Checking for dependencies for CASTEPServer:4 Checking for dependencies for CASTEP: None Checking for dependencies for MatServer:34 Checking for dependencies for MKL:1 Checking for dependencies for boost: None Checking for dependencies for xpcom: None Checking for dependencies for xpidl: None Checking for dependencies for WinCE: None Checking for dependencies for MS3rdParty: None Checking for dependencies for ApplicationComponents: None Checking for dependencies for ApplicationLibraries: None Checking for dependencies for Container: None Checking for dependencies for ContainerInterfaces: None Checking for dependencies for ContainerRootConsumer: None Checking for dependencies for ContainerUtils: None Checking for dependencies for DataModel: None Checking for dependencies for Documents: None Checking for dependencies for DocumentsInterfaces: None Checking for dependencies for Libraries: None Checking for dependencies for SDK: None Checking for dependencies for Services: None Checking for dependencies for ServicesInterfaces: None Checking for dependencies for Scripting: None Checking for dependencies for Simulations: None Checking for dependencies for ViewersInterfaces: None Checking for dependencies for Visualizer: None Checking for dependencies for VisualizerInterfaces: None Checking for dependencies for QSAR: None Checking for dependencies for QSARApplications: None Checking for dependencies for Polymer: None Checking for dependencies for MSExampleData: None Creating Stand alone MatServer script /home/cic08/Accelrys/MaterialsStudio50/etc/MatServer/bin/RunMatServer.sh Checking for dependencies for Quantum: None Creating Stand alone CASTEP script /home/cic08/Accelrys/MaterialsStudio50/etc/CASTEP/bin/RunCASTEP.sh Checking for dependencies for DMol3Server:4 Checking for dependencies for DMol3: None Creating Stand alone DMol3 script /home/cic08/Accelrys/MaterialsStudio50/etc/DMol3/bin/RunDMol3.sh Checking for dependencies for DPDServer:7 Checking for dependencies for DPD: None Creating Stand alone DPD script /home/cic08/Accelrys/MaterialsStudio50/etc/DPD/bin/RunDPD.sh Checking for dependencies for DiscoverServer:6 Creating Stand alone Discover script /home/cic08/Accelrys/MaterialsStudio50/etc/Discover/bin/RunDiscover.sh Checking for dependencies for EquilibriaServer:7 Checking for dependencies for Equilibria: None Creating Stand alone Equilibria script /home/cic08/Accelrys/MaterialsStudio50/etc/Equilibria/bin/RunEquilibria.sh Checking for dependencies for GaussianServer:5 Checking for dependencies for Gaussian: None You have chosen to install the Gaussian server but Gaussian seems not to be installed on this machine. Before using the Gaussian server please make sure that Gaussian is installed. Press ENTER to continue: Checking for dependencies for MesoDynServer:6 Checking for dependencies for MesoDyn: None Creating Stand alone MesoDyn script /home/cic08/Accelrys/MaterialsStudio50/etc/MesoDyn/bin/RunMesoDyn.sh Checking for dependencies for ReflexPlusServer:6 Checking for dependencies for Analytical: None Checking for dependencies for ReflexServer:5 Checking for dependencies for PowderIndexing: None Checking for dependencies for Structures:1 Checking for dependencies for MSStructures: None Checking for dependencies for VAMPServer:6 Checking for dependencies for VAMP: None Creating Stand alone VAMP script /home/cic08/Accelrys/MaterialsStudio50/etc/VAMP/bin/RunVAMP.sh Checking for dependencies for QMERAServer:7 Checking for dependencies for QMERA: None Checking for dependencies for GULP: None Creating Stand alone QMERA script /home/cic08/Accelrys/MaterialsStudio50/etc/QMERA/bin/RunQMERA.sh Checking for dependencies for GULPServer:6 Creating Stand alone GULP script /home/cic08/Accelrys/MaterialsStudio50/etc/GULP/bin/RunGULP.sh Checking for dependencies for ONETEPServer:6 Checking for dependencies for ONETEP: None Creating Stand alone ONETEP script /home/cic08/Accelrys/MaterialsStudio50/etc/ONETEP/bin/RunONETEP.sh Checking for dependencies for MesotekServer:6 Checking for dependencies for Mesotek: None Creating Stand alone Mesotek script /home/cic08/Accelrys/MaterialsStudio50/etc/Mesotek/bin/RunMesotek.sh Checking for dependencies for KinetixServer:5 Checking for dependencies for Kinetix: None Creating Stand alone Kinetix script /home/cic08/Accelrys/MaterialsStudio50/etc/Kinetix/bin/RunKinetix.sh Checking for dependencies for BlendsServer:2 Checking for dependencies for Docking: None Checking for dependencies for ConformerSearchServer:2 Checking for dependencies for DFTBServer:4 Checking for dependencies for DFTB: None Checking for dependencies for Nano: None Creating Stand alone DFTB script /home/cic08/Accelrys/MaterialsStudio50/etc/DFTB/bin/RunDFTB.sh Checking for dependencies for ForciteServer:2 Checking for dependencies for MesociteServer:3 Checking for dependencies for Meso: None Checking for dependencies for MorphologyServer:2 Checking for dependencies for Crystallization: None Checking for dependencies for PolymorphServer:2 Checking for dependencies for QSARModelsServer:2 Checking for dependencies for FastDesc: None Checking for dependencies for ReflexQPAServer:2 Checking for dependencies for SorptionServer:2 Checking for dependencies for CCDCServers:3 Checking for dependencies for CCDC: None You have chosen to install the CCDC servers, but neither ConQuest nor Motif appear to be installed. Please make sure that these servers are present before attempting to use them. Press ENTER to continue: Checking for dependencies for QSARInterfaces: None If you would like the Gateway at /home/cic08/Accelrys/MaterialsStudio50/etc to be started automatically when the system is restarted you will need to get your administrator to place a copy of /home/cic08/Accelrys/MaterialsStudio50/etc/Gateway/msgateway_control_18889 in /etc/rc.d/init.d/msgateway_control_18889 and run: /sbin/chkconfig --add msgateway_control_18889 Please refer to the installation instructions for more details. A Materials Studio Gateway provides access to server components installed on your machine. By default the Gateway is configured to use minimum security. You can use the Gateway configuration tools after installation to enforce higher levels of security. The servers in this installation will not be available from the Materials Studio visualizer until the Gateway has been started. If you choose not to start the Gateway now you will need to start it manually after this installation has completed. Please refer to the help text on the CD for instructions on how to start, stop, and customize your Gateway configuration. Would you like to start the Gateway service now? [Y/n]: Starting gateway... ../../bin/perl: 4: [: ../..: unexpected operator Registering XPCom components; this may take a while... System configuration details for HP-MPI These checks assume that the default user authentication mechanism is being used. Your System Administrator may have chosen to use an alternative mechanism. If you find that parallel jobs fail you should consult your System Administrator and ask them to perform appropriate configuration work. For further details please refer your System Administrator to the installation documentation under the info folder on your installation CD Checking remote shell settings for MPI The HP-MPI installation included as part of this Materials Studio installation requires that openssh is installed and enabled. openssh is not installed Please ask your systems administrator to install openssh. Parallel execution of Materials Studio servers will fail if openssh is not installed. 1) Enter temporary license password 2) Set connection to license server 3) List command line license administration tools 99) Finished with license configuration Choose one of the above options: 99 Exiting program Press ENTER to continue: 樓主,這是我的MS5.0在Ubuntu 12.04.1 上的安裝步驟,在這個(gè)之前現(xiàn)在root下安裝了MPI包,沒(méi)有啥問(wèn)題,最后也在 ~/Accelrys/MaterialsStudio50/etc/Gateway/root_default/dsd/conf的兩個(gè)文件gw-info.sbd gwparams.cfg里更改了 gw_mpi=yes gw_mpicommand=/opt/hpmpi/bin/mpirun -e MPI_REMSH=/usr/bin/ssh -TCP -prot -f APPFILE gw_mpiversion=2.03.01.00 然后重新啟動(dòng)了GATEWAY,但是只能提交不并行的任務(wù),仍然不能并行,因?yàn)槲铱吹桨惭b最后有這樣一段話 The HP-MPI installation included as part of this Materials Studio installation requires that openssh is installed and enabled. openssh is not installed Please ask your systems administrator to install openssh. Parallel execution of Materials Studio servers will fail if openssh is not installed. 你說(shuō)是不是,openssh的問(wèn)題哦,但是這個(gè)我是安裝的啊, 我看你的帖子說(shuō)要修改ssh的環(huán)境變量,是不是因?yàn)檫@個(gè)原因,所以我安裝了ssh,由于環(huán)境變量沒(méi)有設(shè)對(duì),導(dǎo)致不能并行的哦 |
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