MS在linux的安装过程.docx

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MS在linux的安装过程.docx

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MS在linux的安装过程.docx

MS在linux的安装过程

Linux下安装MS3.1

整理：

wsileilyingzbaohui

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

[rootlm16home]#useraddmsi

[rootlm16home]#passwdmsi

Changingpasswordforusermsi.

Newpassword:

abcdefg密码可自由设定，这里以abcdefg为例

BADPASSWORD:

itdoesnotcontainenoughDIFFERENTcharacters

Retypenewpassword:

abcdefg

passwd:

allauthenticationtokensupdatedsuccessfully.

[rootlm16home]#ls

wsllost+foundmsi

[rootlm16home]#cdmsi

[rootlm16msi]#ls

[rootlm16msi]#mkdirtmp

[rootlm16msi]#ls

tmp

[rootlm16home]#cdtmp

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

[rootlm16tmp]#ls

msilic.licunix.zip

[rootlm16tmp]#chmod-R777unix.zip

unix.zip

[rootlm16tmp]$unzipunix.zip

……

[rootlm16tmp]#chmod-R777UNIX/

[rootlm16tmp]#sumsi

[msilm16tmp]$ls

0x0409.iniInfoREADME_MS_Modeling.htm

AccelrysMSModeling3.1.msiinstmsia.exesetup.exe

Autorun.exeinstmsiw.exeSetup.ini

autorun.infISScript8.MsiSplashBitmap.bmp

Container.icoLegalUNIX

Data1.cabLicensePackunix.zip

[msilm16tmp]$cdUNIX/

[msilm16UNIX]$ls

InstallIRIXLicense_PackLinux_IA64Tru64

installerIRIX64LinuxREADME.txt

[msilm16UNIX]$./Install

RunningMaterialsStudioinstallerforplatformLinux...

Pleasespecifyanabsolutedestinationpath[/usr/people/MSI/MaterialsStudio]:

/home/msi/ms

Pleasechoosethepackageyouwishtoinstall:

1.AmorphousCellServer

2.CASTEPServer

3.DiscoverServer

4.DMol3Server

5.DPDServer

6.EquilibriaServer

7.ForciteServer

8.GULPServer

9.MesoDynServer

10.MorphologyServer

11.PolymorphServer

12.QSARModelsServer

13.ReflexServer

14.ReflexPlusServer

15.VAMPServer

16.Structuresdatabase

17.Everything

Enteritemstoinstall（e.g.1,2,5）,orQtoquit:

17根据安装需要也可只选择部分模块

……

IfyouhavenotalreadyinstalledanAccelrysLicensePack,werecommend

thatyoudoso.ToinstallorupdateaLicensePackfollowtheprompts

below.

LicensePackenvironmentsetto:

/home/msi/License_Pack

IsthisthecorrectLicense_Packpath（y|n|q）[y]?

/home/msi/License_Packislowerthancurrentversionor

doesn'texist./home/msi/License_Packwillbeupdatedwith

newfiles.

Presstocontinue.（qandtoquit）　　按Enter键继续

……

WouldyouliketostarttheGatewayservicenow（y|n）[y]:

Startinggateway...

LicensePack:

PostAllInstall

--------------------------------------------------

Youhavethefollowingoptions:

1.Installemailedorcurrentlicensefile.

2.Installdemolicense.

3.ContinuewithoutLicenseInstallation.

--------------------------------------------------

Pleaseselectone:

Pleaseenterafullpathtothelicensefile（qtoquit）:

/home/msi/License_Pack/msi_lic_cshrc

……

/etc/hosts.equivexists.HoweverTheMPICHinstallationincludedas

partofthisMaterialsStudiorequiresthattheuncommentedlinesin

/home/msi/ms/hosts.eqivarepresent.

Pleaseaskyoursystemsadministratortocheckandupdate/etc/hosts.equiv

asrequired.

MaterialsStudioinstallationhascompleted.

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

[msilm16UNIX]$suroot

Password:

[rootlm16UNIX]#cd/home/msi/tmp

[rootlm16tmp]#ls

0x0409.iniinstmsia.exesetup.exe

AccelrysMSModeling3.1.msiinstmsiw.exeSetup.ini

Autorun.exeISScript8.MsiSplashBitmap.bmp

autorun.infLegalUNIX

Container.icoLicensePackunix.zip

Data1.cabmsilic.lic

InfoREADME_MS_Modeling.htm

[rootlm16tmp]#cpmsilic.lic/home/msi

[rootlm16tmp]#cd/home/msi

[rootlm16msi]#ls

License_Packmsmsilic.lictmp

[rootlm16msi]#chownmsi:

msimsilic.lic

[rootlm16msi]#sumsi

[msilm16msi]$ls

License_Packmsmsilic.lictmp

[msilm16msi]$cdLicense_Pack/

[msilm16License_Pack]$ls

binibmibmsprs2licensesmsi_lic_cshrcPolicies

configibmrs2irix6m3Linux_2_Intel_32msi_lic_profileProducts

dataibmsprs1irix6m4logsOSF1_4_Alpha_64sun5

[msilm16License_Pack]$cdlicenses/

[msilm16licenses]$ls

backupmsilicense.dat

[msilm16licenses]$cp/home/msi/msilic.licmsilicense.dat

[msilm16licenses]$exit

exit

[rootlm16msi]#exit

exit

[msilm16UNIX]$exit

exit

[rootlm16tmp]#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--typecluster 串行版输入./Install

2.开始按提示安装了

3.指定你要MaterialsStudio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_18888start

提示说Gatewaystartsucceeded-runningasprocessxxxx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:

并行运行命令 nohup ~/location/Discover/bin/RunDiscover.sh-np27-1-1.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-9-4

hpmpi-2.02.05.01-20070708r.x86_64

libgcc-3.3.3-43.54（32-bitand64-bit）

libstdc++-3.3.3-43.54（32-bitand64-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–R755UNIX，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：

[lslocalhostbin]$./lp_admin

7、完成

[msiDELLr710UNIX]$ls

buildData.txt LicensePack Linux_x86_64 README.txt

Install License_Pack msi.lic

installer Linux PBS_Pro

Legal Linux_IA64 README_InstallingGaussianServer.txt

[msiDELLr710UNIX]$./Install

RunningMaterialsStudioinstallerforplatformLinux_x86_64...

Pleasespecifyanabsolutedestinationpath[/home/msi/Accelrys/MaterialsStudio44]:

Pleasechoosethepackagesyouwishtoinstall:

1.AmorphousCellServer

2.BlendsServer

3.CASTEPServer

4.CCDCServers（ConQuest,Motif）

5.ConformersServer

6.DFTB+Server

7.DMol3Server

8.DPDServer

9.DiscoverServer

10.EquilibriaServer

11.ForciteServer

12.GULPServer

13.GaussianServer

14.MesoDynServer

15.MesociteServer

16.MesotekServer

17.MorphologyServer

18.ONETEPServer

19.PolymorphServer

20.QMERAServer

21.QSARModelsServer

22.Reflex+Server

23.ReflexQPAServer

24.ReflexServer

25.SorptionServer

26.StructuresLibrary

27.VAMPServer

28.Everything

Enteritemstoinstall（e.g.1,2,5）,orQtoquit:

Startinginstallation...

Installlogin/home/msi/Accelrys/MaterialsStudio44/install.log

Installingeverything...

CheckingfordependenciesforAmorphousCellServer:

CheckingfordependenciesforAmorphousCell:

None

CheckingfordependenciesforLicensing:

CheckingfordependenciesforLicensePack:

None

InitializingInstallShieldWizard........

LaunchingInstallShieldWizard........

-------------------------------------------------------------------------------

AccelrysLicensePack7.6-InstallShieldWizard

WelcometotheInstallShieldWizardforAccelrysLicensePack7.6

TheInstallShieldWizardwillinstallAccelrysLicensePack7.6onyour

computer.

Tocontinue,chooseNext.

AccelrysLicensePack7.6

AccelrysSoftwareInc.

.accelrys.

Press1forNext,3toCancelor5toRedisplay[1]

-------------------------------------------------------------------------------

AccelrysLicensePack7.6-InstallShieldWizard

AccelrysLicensePack7.6InstallLocation

PleasespecifyadirectoryorpressEntertoacceptthedefaultdirectory.

DestinationDirectory[/home/msi/Accelrys]

Press1forNext,2forPrevious,3toCancelor5toRedisplay[1]

------------------------------------------------------------------------------

AccelrysLicensePack7.6-InstallShieldWizard

Selectthefeaturesfor"AccelrysLicensePack7.6"youwouldliketoinstall:

AccelrysLicensePack7.6

Toselect/deselectafeatureortoviewitschildren,typeitsnumber:

1. [x]LicensePack

2. []CompatibilityLicensePack

TheCompatibilityLicensePackisrequiredforsupportingAccelryssoftware

shippedwithLicensePacks6.xorlowerandtosupportIRIXandSolaris

platforms.SeeLicensePackdocumentationforcompletelistofAccelrys

softwaresupportedbythisLicensePack.

Otheroptions:

0.Continueinstalling

Entercommand[0]

Press1forNext,2forPrevious,3toCancelor5toRedisplay[1]

-------------------------------------------------------------------------------

AccelrysLicensePack7.6-InstallShieldWizard

AccelrysLicensePack7.6willbeinstalledinthefollowinglocation:

/home/msi/Accelrys/LicensePack

withthefollowingfeatures:

LicensePack

foratotalsize:

161.2MB

Press1forNext,2forPrevious,3toCancelor5toRedisplay[1]

-------------------------------------------------------------------------------

AccelrysLicensePack7.6-InstallShieldWizard

InstallingAccelrysLicensePack7.6.Pleasewait...

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0% 25% 50% 75% 100%

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