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| 【獎勵】 本帖被評價7次,作者souledge增加金幣 6 個 | ||||||||
souledge專家顧問 (著名寫手)
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【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,運行于VMWare 7下。 直接安裝Materials Studio 4.3會確定無疑的提示如下(比如只選擇3號,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)前用戶目錄下,只有個空蕩蕩的Accelrys的文件夾。 其實,上面那些依賴信息和數(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中/UNIX/installer/Linux/default下三個配置文件就明白了。 具體發(fā)現(xiàn)如何修改的過程就不說了,其實在T2050的破CPU的老本本下跑VM還是很痛苦的,并且Materials Studio也是個大軟件,為了查找發(fā)生錯誤的根源,從最基本的install.log(寫個腳本在刪除前拷貝出)開始入手,一點點的翻閱可能有關(guān)的所有安裝用腳本、配置文件和安裝包,折騰了三個小時才搞定。幸好自己有不少寫C/C++玩的經(jīng)驗,否則這么多代碼,估計得看到明天早晨了。 直接入正題了。 做兩處修改,第一個,/UNIX/Installer/lib/InstallTools.pm中,有個子函數(shù)GetOSVersion。其中校驗了兩個系統(tǒng)。把出現(xiàn)的四個redhat-release都修改為fedora-release。 第二個,/UNIX/Installer/lib/LicensePack.pm中,有一段是安裝證書包的,問題出在if的檢驗上。原來的代碼: if ( system( "$SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer" ) != 0 ) 直接在終端測試,無法運行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 $SourcePath/installer" ) != 0 ) 于是再進(jìn)行安裝,一切順利。 順便后悔一下安裝了Linux Security,居然把我的Gataway給攔截了。以前還攔截了Adobe Reader,崩潰。 另外,由于Ubuntu是基于Debian的,使用的包的類型與Red Hat和SUSE都不太相同,想要做修改安裝的同學(xué),要再多加點油了。至少現(xiàn)在,F(xiàn)edora和CentOS應(yīng)該是都沒有問題的了。 當(dāng)然了,前提是先需要把安裝文件從ISO中拷貝到硬盤上,否則是無法修改后保存的。 修改后的安裝過程入下(終端過程,由于VM中劃分的硬盤空間比較小,所以只安裝了CASTEP作為例子,其他的也都沒有問題): |
科研技巧 | MS & VASP | 模擬 | Materials Studio |
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給自己補充一下,順便搶個沙發(fā)。 一直以來,都是在實體實驗的間隙,在Windows下用Materials Studio算點數(shù)據(jù),希望能豐富實驗的結(jié)果,能出好點的論文的(陶瓷那東西,實驗不確定因素太多,模擬也不好建模,有時很讓人抓狂)。 后來在臺機上安裝了Red Hat Enterprise Linux 5.5,自然是安裝Materials Studio沒問題,并且發(fā)現(xiàn)在Linux下,MS的效率似乎更高一些。 但是由于RHEL是要收費的,免費的只能盜用CentOS的源,系統(tǒng)混合了不說,很多軟件都因為開發(fā)包太低,依賴關(guān)系太低裝不上,上次安裝個ffmpeg插件都搞了兩天,結(jié)果還沒弄好(扯遠(yuǎn)了)。不過Fedora在娛樂上還是很不錯的,并且源很豐富,界面也精彩,很適合不太懂Linux的新人使用。 相信這篇帖子是能幫到一部分人的。 當(dāng)然了,在Fedora和Red Hat下用MS效率有沒有差別,就沒有測試了~ 至于測試Materials Studio 4.3,是因為手頭只有4.3和5.0的兩個Linux版,5.0太大,VM中硬盤空間不夠……但是相信這兩個都可以用同樣的方法修改安裝腳本后進(jìn)行安裝的。 [ Last edited by souledge on 2010-11-20 at 23:50 ] |
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RHEL是可以用的,穩(wěn)定,用于計算的計算機不要頻繁更新,一般也不接外網(wǎng),更新的那些對計算是沒有什么意義的,還容易引入其他問題,所以RHEL的更新不是拒絕使用的理由,如果一定要更新的話用CENTOS也是不錯的選擇。 Fedora更適用于個人版的桌面,應(yīng)用程序全而新,但對于計算來說,就未必有益了。個人覺得,無論用哪一類系統(tǒng),穩(wěn)定是最重要的,不要把時間都花在系統(tǒng)調(diào)試和安裝上。 |
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成功在Ubuntu 11.10上安裝了MS 5.0,并且測試計算CASTEP成功~安裝步驟同上,啟動密鑰管理需要找Debian的ia32-lib庫和幾個要求的庫文件,這個就是花點時間。 HPMPI方面,可能會提示缺少一個包,這個包在Ubuntu的源里有,不重復(fù)了,唯一的問題就是可能需要重新把安裝過的MS再裝一邊,因為CASTEP似乎只認(rèn)HPMPI~ 然后是SSH的設(shè)置,不知道為什么,在Ubuntu下不能自動的SSH免密碼登錄,要手動設(shè)置一下才可以。 最后是幾個量的問題,出在Accelrys/MaterialsStudio50/share/bin/runMSserver.sh,由于Ubuntu下不知道為什么,不支持形如: export DSD_ROOT=$MS_INSTALL_ROOT/etc/Gateway/root_default/dsd 的bash語句,所以不得不把這個拆開來寫: DSD_ROOT=$MS_INSTALL_ROOT/etc/Gateway/root_default/dsd export DSD_ROOT 一共是三個這樣的語句吧。 現(xiàn)在唯一剩下的問題,就是必須要把所有文件放在$HOME下才能運行,并且所有中間文件也都在$HOME下,如果有喜歡Ubuntu/Debian系統(tǒng)又想用Materials Studio的,可以一起來琢磨琢磨哦~ 當(dāng)然,我折騰這個,純粹是因為實驗室別人的電腦上是Ubuntu,在上面安裝Materials Studio絕對是個挑戰(zhàn)而已~個人自己的電腦還是雷打不動的RHEL/CentOS一派的~ |
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我暈~這帖子也有D版的。http://www.linux88.info/Fedora/2011094918.html,看就是用Google翻譯的……連“破T2050”都給翻譯成了“Broken T2050”…… |
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popeye@popeye-Lenovo$~/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 以上的提醒是沒有安裝csh 以下是安裝過程 popeye@popeye-Lenovo$/home>sudo apt-get install csh(回車后輸入密碼,然后等待自動安裝完成) [sudo] password for popeye: Reading package lists... Done Building dependency tree Reading state information... Done The following packages were automatically installed and are no longer required: linux-headers-3.2.0-29 linux-headers-3.2.0-29-generic-pae Use 'apt-get autoremove' to remove them. The following NEW packages will be installed: csh 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 238 kB of archives. After this operation, 401 kB of additional disk space will be used. Get:1 http://run6.hit.edu.cn/ubuntu/ precise/universe csh i386 20110502-2ubuntu1 [238 kB] Fetched 238 kB in 0s (1,143 kB/s) Selecting previously unselected package csh. (Reading database ... 267042 files and directories currently installed.) Unpacking csh (from .../csh_20110502-2ubuntu1_i386.deb) ... Processing triggers for doc-base ... Processing 1 added doc-base file... Registering documents with scrollkeeper... Processing triggers for man-db ... Setting up csh (20110502-2ubuntu1) ... update-alternatives: using /bin/bsd-csh to provide /bin/csh (csh) in auto mode. popeye@popeye-Lenovo$/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,在這個之前現(xiàn)在root下安裝了MPI包,沒有啥問題,最后也在 ~/Accelrys/MaterialsStudio50/etc/Gateway/root_default/dsd/conf的兩個文件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 然后重新啟動了GATEWAY,但是只能提交不并行的任務(wù),仍然不能并行,因為我看到安裝最后有這樣一段話 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. 你說是不是,openssh的問題哦,但是這個我是安裝的啊, 我看你的帖子說要修改ssh的環(huán)境變量,是不是因為這個原因,所以我安裝了ssh,由于環(huán)境變量沒有設(shè)對,導(dǎo)致不能并行的哦 |

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