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
[root@lm16 home]# useradd msi [root@lm16 home]# passwd msi
Changing 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 characters Retype new password: abcdefg
passwd: all authentication tokens updated successfully. [root@lm16 home]# ls wsl lost+found msi [root@lm16 home]# cd msi [root@lm16 msi]# ls [root@lm16 msi]# mkdir tmp [root@lm16 msi]# ls tmp
[root@lm16 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127.0.0.1，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
[root@lm16 tmp]# ls msilic.lic unix.zip
[root@lm16 tmp]# chmod -R 777 unix.zip unix.zip
[root@lm16 tmp]$ unzip unix.zip …… ……
[root@lm16 tmp]# chmod -R 777 UNIX/ [root@lm16 tmp]# su msi
[msi@lm16 tmp]$ ls
0x0409.ini Info README_MS_Modeling.htm Accelrys MS Modeling 3.1.msi instmsia.exe setup.exe Autorun.exe instmsiw.exe Setup.ini
autorun.inf ISScript8.Msi SplashBitmap.bmp Container.ico Legal UNIX Data1.cab License Pack unix.zip [msi@lm16 tmp]$ cd UNIX/ [msi@lm16 UNIX]$ ls
Install IRIX License_Pack Linux_IA64 Tru64
installer IRIX64 Linux README.txt
[msi@lm16 UNIX]$ ./Install
Running Materials Studio installer for platform Linux...
Please specify an absolute destination path [/usr/people/MSI/MaterialsStudio] : /home/msi/ms
Please 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. Everything
Enter 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 recommend that you do so. To install or update a License Pack follow the prompts below.
License Pack environment set to:
/home/msi/License_Pack
Is this the correct License_Pack path (y|n|q) [y]? Y
/home/msi/License_Pack is lower than current version or doesn't exist. /home/msi/License_Pack will be updated with new files.
Press
……
Would you like to start the Gateway service now (y|n) [y] :Y Starting 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: 1
Please 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 as part 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.equiv as 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.dat
[msi@lm16 UNIX]$ su root
Password:
[root@lm16 UNIX]# cd /home/msi/tmp [root@lm16 tmp]# ls
0x0409.ini instmsia.exe setup.exe Accelrys MS Modeling 3.1.msi instmsiw.exe Setup.ini
Autorun.exe ISScript8.Msi SplashBitmap.bmp autorun.inf Legal UNIX Container.ico License Pack unix.zip Data1.cab msilic.lic
Info README_MS_Modeling.htm
[root@lm16 tmp]# cp msilic.lic /home/msi [root@lm16 tmp]# cd /home/msi [root@lm16 msi]# ls
License_Pack ms msilic.lic tmp
[root@lm16 msi]# chown msi:msi msilic.lic [root@lm16 msi]# su msi [msi@lm16 msi]$ ls
License_Pack ms msilic.lic tmp [msi@lm16 msi]$ cd License_Pack/ [msi@lm16 License_Pack]$ ls
bin ibm ibmsprs2 licenses msi_lic_cshrc Policies config ibmrs2 irix6m3 Linux_2_Intel_32 msi_lic_profile Products data ibmsprs1 irix6m4 logs OSF1_4_Alpha_64 sun5 [msi@lm16 License_Pack]$ cd licenses/ [msi@lm16 licenses]$ ls backup msilicense.dat
[msi@lm16 licenses]$ cp /home/msi/msilic.lic msilicense.dat [msi@lm16 licenses]$ exit exit
[root@lm16 msi]# exit exit
[msi@lm16 UNIX]$ exit exit
[root@lm16 tmp]# exit Exit
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_Pack 6. 选择临时文件夹，例 ~/temp
7. 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./Install
4、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：[ls@localhost bin]$ ./lp_admin 7、完成
[msi@DELLr710 UNIX]$ ls
buildData.txt LicensePack Linux_x86_64 README.txt Install License_Pack msi.lic installer Linux PBS_Pro
Legal Linux_IA64 README_InstallingGaussianServer.txt [msi@DELLr710 UNIX]$ ./Install
Running 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 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