MS在linux的安装过程.doc

Linux下安装MS 3.1 整理：wsilei lying zbaohui一、安装MS前的准备：在根用户下创建msi用户并上传MS安装文件于/home/msi/tmp下rootlm16 home# useradd msirootlm16 home# passwd msiChanging password for user msi.New password: abcdefg 密码可自由设定，这里以abcdefg为例BAD PASSWORD: it does not contain enough DIFFERENT charactersRetype new password: abcdefgpasswd: all authentication tokens updated successfully.rootlm16 home# lswsl lost+found msirootlm16 home# cd msirootlm16 msi# lsrootlm16 msi# mkdir tmprootlm16 msi# lstmprootlm16 home# cd tmp上传MS安装文件及license于tmp下把hostname改成 localhost就可以了，或者，这是基于IPv4的原理二、安装过程：root下解压安装文件，修改UNIX的权限；msi用户下安装rootlm16 tmp# lsmsilic.lic unix.ziprootlm16 tmp# chmod -R 777 unix.zipunix.ziprootlm16 tmp$ unzip unix.ziprootlm16 tmp# chmod -R 777 UNIX/rootlm16 tmp# su msimsilm16 tmp$ ls0x0409.ini Info README_MS_Modeling.htmAccelrys MS Modeling 3.1.msi instmsia.exe setup.exeAutorun.exe instmsiw.exe Setup.iniautorun.inf ISScript8.Msi SplashBitmap.bmpContainer.ico Legal UNIXData1.cab License Pack unix.zipmsilm16 tmp$ cd UNIX/msilm16 UNIX$ lsInstall IRIX License_Pack Linux_IA64 Tru64installer IRIX64 Linux README.txtmsilm16 UNIX$ ./InstallRunning Materials Studio installer for platform Linux.Please specify an absolute destination path /usr/people/MSI/MaterialsStudio :/home/msi/msPlease choose the package you wish to install: 1. Amorphous Cell Server 2. CASTEP Server 3. Discover Server 4. DMol3 Server 5. DPD Server 6. Equilibria Server 7. Forcite Server 8. GULP Server 9. MesoDyn Server 10. Morphology Server 11. Polymorph Server 12. QSARModels Server 13. Reflex Server 14. Reflex Plus Server 15. VAMP Server 16. Structures database 17. EverythingEnter items to install (e.g. 1,2,5) , or Q to quit : 17 根据安装需要也可只选择部分模块If you have not already installed an Accelrys License Pack, we recommendthat you do so. To install or update a License Pack follow the promptsbelow.License Pack environment set to:/home/msi/License_PackIs this the correct License_Pack path (y|n|q) y? Y/home/msi/License_Pack is lower than current version or doesnt exist. /home/msi/License_Pack will be updated with new files.Press to continue. (q and to quit) 按Enter键继续Would you like to start the Gateway service now (y|n) y :YStarting gateway.LicensePack:PostAllInstall-You have the following options: 1. Install emailed or current license file. 2. Install demo license. 3. Continue without License Installation.-Please select one: 1Please enter a full path to the license file (q to quit):/home/msi/License_Pack/msi_lic_cshrc/etc/hosts.equiv exists. However The MPICH installation included aspart of this Materials Studio requires that the uncommented lines in/home/msi/ms/hosts.eqiv are present.Please ask your systems administrator to check and update /etc/hosts.equivas required.Materials Studio installation has completed.三、安装后的处理：切换到根用户，复制msilic.lic到/home/msi，变更msilic.lic的所有者与所属群组；在msi用户下用/home/msi/msilic.lic 覆盖/home/msi/ License_Pack/licenses/ msilicense.datmsilm16 UNIX$ su rootPassword: rootlm16 UNIX# cd /home/msi/tmprootlm16 tmp# ls0x0409.ini instmsia.exe setup.exeAccelrys MS Modeling 3.1.msi instmsiw.exe Setup.iniAutorun.exe ISScript8.Msi SplashBitmap.bmpautorun.inf Legal UNIXContainer.ico License Pack unix.zipData1.cab msilic.licInfo README_MS_Modeling.htmrootlm16 tmp# cp msilic.lic /home/msirootlm16 tmp# cd /home/msirootlm16 msi# lsLicense_Pack ms msilic.lic tmprootlm16 msi# chown msi:msi msilic.licrootlm16 msi# su msimsilm16 msi$ lsLicense_Pack ms msilic.lic tmpmsilm16 msi$ cd License_Pack/msilm16 License_Pack$ lsbin ibm ibmsprs2 licenses msi_lic_cshrc Policiesconfig ibmrs2 irix6m3 Linux_2_Intel_32 msi_lic_profile Productsdata ibmsprs1 irix6m4 logs OSF1_4_Alpha_64 sun5msilm16 License_Pack$ cd licenses/msilm16 licenses$ lsbackup msilicense.datmsilm16 licenses$ cp /home/msi/msilic.lic msilicense.datmsilm16 licenses$ exitexitrootlm16 msi# exitexitmsilm16 UNIX$ exitexitrootlm16 tmp# exitExit做最后的测试工作，http：/liunux服务器的ip：18888，看到apache启动正常就ok了一切OK啦！这是我看了别人的的安装方法再结合自己的计算机特点给出的安装方式，经成功并行。 1. 安装 并行版输入 ./Install -type cluster 串行版输入 ./Install 2. 开始按提示安装了 3. 指定你要Materials Studio安装到的目录，如/location 4. 指定你所需要安装的模块了，根据自己的需要选择，当然也可以全部选上 5. 指定你License_Pack所在的目录，如/location，按提示Enter，安装Licens_Pack6. 选择临时文件夹，例 /temp7. 把licene文件msilic.lic拷贝到/home/msi/ms40/License_Pack/licenses目录中，注意不要改名，4.2版需要*.lic的文件（此处一定要注意，网上的安装教程都叫要把lic文件改程mslicense.dat，但是4.2版本的一定不要改，要不程序会提示找不到*.lic文件） MS并行需要hpmpi，如果要并行但你机上没有hpmpi，中间会提示安装hpmpi到ms的目录，可以采用非root用户安装，按照提示安装就可以。8. 安装完毕9. gateway运行，进入/home/msi/ms40/Gateway目录，运行下面的命令： ./msgateway_control_18888 start 提示说Gateway start succeeded - running as process xxxx后，就启动成功了10. 并行还需做以下工作 vi /home/msi/ms40/share/data/machines.LINUX 写入每个节点的CPU数，格式： 节点名：该节点上的CPU数，一行一个节点。node1:2并行运行命令 nohup/location/Discover/bin/RunDiscover.sh -np 2 7-1-1.inp &我已经用上面的命令在机器上用两个结点并行成功。其中/location是你的安装位置Linux下MS安装全过程1安装系统，注意阅读在压缩包中的README_Materials_Studio.htm这个文件，这个文件里包含里安装ms4.4所需要的操作系统环境。就是要安装类似以下的系统补丁包 glibc-32bit-9-200710191304 hpmpi-2.02.05.01-20070708r.x86_64 libgcc-3.3.3-43.54 (32-bit and 64-bit) libstdc+-3.3.3-43.54 (32-bit and 64-bit)这些包都要一定要装上去， hpmpi-2.02.05.01-20070708r.x86_64 这个一般是在MS得安装盘上有。2、安装MS4.4 ，我创建的个人用户是msi 在msi下建temp文件夹把软件拷到temp里3、修改权限，chmod R 755 UNIX，进入temp/UNIX，执行./Install4、选择完全安装，5、安装修改过得license，放到和windows版本类似那个license文件夹里6.启动license 路径：./Accelrys/LicensePack/linux/bin 命令：lslocalhost bin$ ./lp_admin7、完成msiDELLr710 UNIX$ lsbuildData.txtLicensePack Linux_x86_64 README.txtInstall License_Packmsi.licinstaller Linux PBS_ProLegal Linux_IA64 README_InstallingGaussianServer.txtmsiDELLr710 UNIX$ ./InstallRunning Materials Studio installer for platform Linux_x86_64.Please specify an absolute destination path /home/msi/Accelrys/MaterialsStudio44 : Please choose the packages you wish to install:1. AmorphousCell Server2. Blends Server3. CASTEP Server4. CCDC Servers (ConQuest, Motif)5. Conformers Server6. DFTB+ Server7. DMol3 Server8. DPD Server9. Discover Server10. Equilibria Server11. Forcite Server12. GULP Server13. Gaussian Server14. MesoDyn Server15. Mesocite Server16. Mesotek Server17. Morphology Server18. ONETEP Server19. Polymorph Server20. QMERA Server21. QSAR Models Server22. Reflex+ Server23. Reflex QPA Server24. Reflex Server25. Sorption Server26. Structures Library27. VAMP Server28. EverythingEnter items to install (e.g. 1,2,5) , or Q to quit : 28Starting installation.Install log in /home/msi/Accelrys/MaterialsStudio44/install.logInstalling everything.Checking for dependencies for AmorphousCellServer:6Checking for dependencies for AmorphousCell: NoneChecking for dependencies for Licensing:1Checking for dependencies for LicensePack: None Initializing InstallShield Wizard. Launching InstallShield Wizard.-Accelrys License Pack 7.6 - InstallShield WizardWelcome to the InstallShield Wizard for Accelrys License Pack 7.6The InstallShield Wizard will install Accelrys License Pack 7.6 on yourcomputer.To continue, choose Next.Accelrys License Pack 7.6Accelrys Software Inc.Press 1 for Next, 3 to Cancel or 5 to Redisplay 1 -Accelrys License Pack 7.6 - InstallShield WizardAccelrys License Pack 7.6 Install LocationPlease specify a directory or press Enter to accept the default directory.Destination Directory /home/msi/Accelrys Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay 1 -Accelrys License Pack 7.6 - InstallShield WizardSelect the features for Accelrys License Pack 7.6 you would like to install: Accelrys License Pack 7.6 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 Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay 1 -Accelrys License Pack 7.6 - InstallShield WizardAccelrys License Pack 7.6 will be installed in the following location:/home/msi/Accelrys/LicensePackwith the following features:LicensePackfor a total size:161.2 MBPress 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay 1 -Accelrys License Pack 7.6 - InstallShield WizardInstalling Accelrys License Pack 7.6. 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 - InstallShield WizardThe InstallShield Wizard has successfully installed Accelrys License Pack 7.6.Choose Finish to exit the wizard.Press 3 to Finish or 5 to Redisplay 3 Checking for dependencies for SharedSetup:4Checking for dependencies for IntelRuntime: NoneChecking for dependencies for HPMPI:1Do HP-MPI Installation - MesoDyn server selected.Should HPMPI use SSH? Y/n:yConfiguring HP-MPI installationSetting up machines.LINUX file in /home/msi/Accelrys/MaterialsStudio44/share/dataChecking for dependencies for GatewayTmp: NonePlease specify the location for temporary files (required for certaincomputational servers), e.g., /tmp or /usr/tmp.Enter ./tmp if you preferto create these files in the directory where the job is being run. Pleasenote that the ./tmp setting could create additional I/O overhead and therebyaffect performance /tmp :Checking for dependencies for GatewayScripts: NoneConfiguring environment setupSetting installation path in environment setup script filesChecking for dependencies for Gateway:2Configuring Gateway to use default portConfiguring Gateway for supported queueing systemsChecking for dependencies for PPComponents: NoneChecking for dependencies for Discover: NoneCreating Stand alone AmorphousCell script /home/msi/Accelrys/MaterialsStudio44/etc/AmorphousCell/bin/RunAmorphousCell.shChecking for dependencies for CASTEPServer:7Checking for dependencies for CASTEP: NoneChecking for dependencies for MKL:1Creating Stand alone CASTEP script /home/msi/Accelrys/MaterialsStudio44/etc/CASTEP/bin/RunCASTEP.shChecking for dependencies for DMol3Server:6Checking for dependencies for DMol3: NoneCreating Stand alone DMol3 script /home/msi/Accelrys/MaterialsStudio44/etc/DMol3/bin/RunDMol3.shChecking for dependencies for DPDServer:7Checking for dependencies for DPD: NoneCreating Stand alone DPD script /home/msi/Accelrys/MaterialsStudio44/etc/DPD/bin/RunDPD.shChecking for dependencies for DiscoverServer:6Creating Stand alone Discover script /home/msi/Accelrys/MaterialsStudio44/etc/Discover/bin/RunDiscover.shChecking for dependencies for EquilibriaServer:7Checking for dependencies for Equilibria: NoneCreating Stand alone Equilibria script /home/msi/Accelrys/MaterialsStudio44/etc/Equilibria/bin/RunEquilibria.shChecking for dependencies for GaussianServer:5Checking for dependencies for Gaussian: NoneYou have chosen to install the Gaussian server but Gaussian seems not to beinstalled on this machine.Before using the Gaussian server please make surethat Gaussian is installed.Press ENTER to continue: Checking for dependencies for MesoDynServer:6Checking for dependencies for MesoDyn: NoneCreating Stand alone MesoDyn script /home/msi/Accelrys/MaterialsStudio44/etc/MesoDyn/bin/RunMesoDyn.shChecking for dependencies for ReflexPlusServer:7Checking for dependencies for MatServer:30Checking for dependencies for xpcom: NoneChecking for dependencies for xpidl: NoneChecking for dependencies for perl: NoneChecking for dependencies for WinCE: NoneChecking for dependencies for MS3rdParty: NoneChecking for dependencies for ApplicationComponents: NoneChecking for dependencies for ApplicationLibraries: NoneChecking for dependencies for Container: NoneChecking for dependencies for ContainerInterfaces: NoneChecking for dependencies for ContainerRootConsumer: NoneChecking for dependencies for ContainerUtils: NoneChecking for dependencies for DataModel: NoneChecking for dependencies for Documents: NoneChecking for dependencies for DocumentsInterfaces: NoneChecking for dependencies for Libraries: NoneChecking for dependencies for SDK: NoneChecking for dependencies for Scripting: NoneChecking for dependencies for ViewersInterfaces: NoneChecking for dependencies for Visualizer: NoneChecking for dependencies for VisualizerInterfaces: NoneChecking for dependencies for QSAR: NoneChecking for dependencies for QSARApplications: NoneChecking for dependencies for Polymer: NoneChecking for dependencies for MSExampleData: NoneChecking for dependencies for Simulations: NoneChecking for dependencies for Analytical: NoneChecking for dependencies for ReflexServer:5Checking for dependencies for PowderIndexing: NoneChecking for dependencies for Structures:1Checking for dependencies for MSStructures: NoneChecking for dependencies for VAMPServer:6Checking for dependencies for VAMP: NoneCreating Stand alone VAMP script /home/msi/Accelrys/MaterialsStudio44/etc/VAMP/bin/RunVAMP.shChecking for dependencies for QMERAServer:7Checking for dependencies for QMERA: NoneChecking for dependencies for GULP: NoneCreating Stand alone QMERA script /home/msi/Accelrys/MaterialsStudio44/etc/QMERA/bin/RunQMERA.shChecking for dependencies for GULPServer:6Creating Stand alone GULP script /home/msi/Accelrys/MaterialsStudio44/etc/GULP/bin/RunGULP.shChecking for dependencies for ONETEPServer:6Checking for dependencies for ONETEP: NoneCreating Stand alone ONETEP script /home/msi/Accelrys/MaterialsStudio44/etc/ONETEP/bin/RunONETEP.shChecking for dependencies for MesotekServer:6Checking for dependencies for Mesotek: NoneCreating Stand alone Mesotek script /home/msi/Accelrys/MaterialsStudio44/etc/Mesotek/bin/RunMesotek.shChecking for dependencies for BlendsServer:3Checking for dependencies for Docking: NoneChecking for dependencies for ConformerSearchServer:3Checking for dependencies for DFTBServer:9Checking for dependencies for DFTB: NoneChecking for dependencies for Quantum: NoneChecking for dependencies for Nano: NoneCreating Stand alone DFTB script /home/msi/Accelrys/MaterialsStudio44/etc/DFTB/bin/RunDFTB.shChecking for dependencies for ForciteServer:2Checking for dependencies for MesociteServer:3Checking for dependencies for Meso: NoneChecking for dependencies for MorphologyServer:3Checking for dependencies for Crystallization: NoneChecking for dependencies for PolymorphServer:3Checking for dependencies for QSARModelsServer:2Checking for dependencies for FastDesc: NoneChecking for dependencies for ReflexQPAServer:3Checking for dependencies for SorptionServer:3Checking for dependencies for CCDCServers:4Checking for dependencies for CCDC: NoneYou have chosen to install the CCDC servers, but neither ConQuest nor Motifappear to be installed. Please make sure that these servers are present beforeattempting to use them.Press ENTER to continue: Checking for dependencies for QSARInterfaces: NoneIf you would like the Gateway at /home/msi/Accelrys/MaterialsStudio44/etcto be started automatically when the system is restartedyou will need to get your administrator to place a copy of/home/msi/Accelrys/MaterialsStudio44/etc/Gateway/msgateway_control_18889 in /etc/rc.d/init.d/msgateway_control_18889and run:/sbin/chkconfig -add msgateway_control_18889Please refer to the installation instructions for more details.A Materials Studio Gateway provides access to server componentsinstalledon your machine. By default the Gateway is configuredto use minimum security. You can use the Gateway configurationtools after installation to enforce higher levels of security.The servers in this installation will not be available fr