castep在linux下的安装步骤

卸载：一)MS卸载：1.首先进入home/msi/Accelrys/Materials Studio40/etc/Gateway然后执行./msgateway_control_18888 stop，即停掉gateway网关2.用chkconfig删除与网关相关的文件：/sbin/chkconfig --del msgateway_control_18888 3.删除 /etc/init.d/msgateway_control_18888 的文件:(用根用户删除)rm /etc/init.d/msgateway_control_18888 (感觉第二步和第三步不管用)4.删除与网关有关的所有配置，在Gateway的文件夹下执行 ./gwdeconfigureall5.用根用户删除所有的MS文件二)License卸载进入home/msi/Accelrys/Licenss_Pack/ Uninstaller,执行./uninstaller1.先加一个用户msi，密码为msi(在根用户下进行)在msi用户下建立一个文件夹tmpiso2.解压iso文件到tmpiso(在根用户下进行)mount -o loop zwt*.iso /home/msi/tmpiso/3.装并行编译hpmpi(在根用户下进行)rm -rf hpmpi/cd msi/tmpiso/UNIX/Linux_x86_64/hpmpi/rpm -ivh hpmpi-2.02.05.01.x86_64.rpmls如果仅仅删除hpmpi的文件夹，再安装的时候会提示说已经安装，这时候可以用强制安装：rpm -ivh --force hpmpi-2.03.01.00.x86_64.rpm4.进入msi用户进行安装chmod -R 777 UNIX(很多时候安装文件的时候没有权限，用这个命令把权限改过来)cd tmpiso/UNIX./installRunning Materials Studio installer for platform Linux_x86_64...Please specify an absolute destination path [/home/msi/Accelrys/MaterialsStudio43] :Please choose the package you wish to install: 1. AmorphousCell Server 2. Blends Server 3. CASTEP Server 4. CCDC Servers (ConQuest, Motif) 5. Conformers Server 6. DMol3 Server 7. DPD Server 8. Discover Server 9. Equilibria Server 10. Forcite Server 11. GULP Server 12. Gaussian Server 13. MesoDyn Server 14. Mesotek Server 15. Morphology Server 16. ONETEP Server 17. Polymorph Server 18. QMERA Server 19. QSAR Models Server 20. Reflex+ Server 21. Reflex QPA Server 22. Reflex Server 23. Sorption Server 24. Structures Library 25. VAMP Server 26. EverythingEnter items to install (e.g. 1,2,5) , or Q to quit : 26Starting installation...Install log in /home/msi/Accelrys/MaterialsStudio43/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........------------------------------