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
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
[root@lm16home]#useraddmsi
[root@lm16home]#passwdmsi
Changingpasswordforusermsi.
Newpassword:
abcdefg密码可自由设定,这里以abcdefg为例
BADPASSWORD:
itdoesnotcontainenoughDIFFERENTcharacters
Retypenewpassword:
abcdefg
passwd:
allauthenticationtokensupdatedsuccessfully.
[root@lm16home]#ls
wsllost+foundmsi
[root@lm16home]#cdmsi
[root@lm16msi]#ls
[root@lm16msi]#mkdirtmp
[root@lm16msi]#ls
tmp
[root@lm16home]#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
[root@lm16tmp]#ls
msilic.licunix.zip
[root@lm16tmp]#chmod-R777unix.zip
unix.zip
[root@lm16tmp]$unzipunix.zip
……
……
[root@lm16tmp]#chmod-R777UNIX/
[root@lm16tmp]#sumsi
[msi@lm16tmp]$ls
0x0409.iniInfoREADME_MS_Modeling.htm
AccelrysMSModeling3.1.msiinstmsia.exesetup.exe
Autorun.exeinstmsiw.exeSetup.ini
autorun.infISScript8.MsiSplashBitmap.bmp
Container.icoLegalUNIX
Data1.cabLicensePackunix.zip
[msi@lm16tmp]$cdUNIX/
[msi@lm16UNIX]$ls
InstallIRIXLicense_PackLinux_IA64Tru64
installerIRIX64LinuxREADME.txt
[msi@lm16UNIX]$./Install
RunningMaterialsStudioinstallerforplatformLinux...
Pleasespecifyanabsolutedestinationpath[/usr/people/MSI/MaterialsStudio]:
/home/msi/ms
Pleasechoosethepackageyouwishtoinstall:
1.AmorphousCellServer
2.CASTEPServer
3.DiscoverServer
4.DMol3Server
5.DPDServer
6.EquilibriaServer
7.ForciteServer
8.GULPServer
9.MesoDynServer
10.MorphologyServer
11.PolymorphServer
12.QSARModelsServer
13.ReflexServer
14.ReflexPlusServer
15.VAMPServer
16.Structuresdatabase
17.Everything
Enteritemstoinstall(e.g.1,2,5),orQtoquit:
17根据安装需要也可只选择部分模块
……
……
IfyouhavenotalreadyinstalledanAccelrysLicensePack,werecommend
thatyoudoso.ToinstallorupdateaLicensePackfollowtheprompts
below.
LicensePackenvironmentsetto:
/home/msi/License_Pack
IsthisthecorrectLicense_Packpath(y|n|q)[y]?
Y
/home/msi/License_Packislowerthancurrentversionor
doesn'texist./home/msi/License_Packwillbeupdatedwith
newfiles.
Press
……
……
WouldyouliketostarttheGatewayservicenow(y|n)[y]:
Y
Startinggateway...
LicensePack:
:
PostAllInstall
--------------------------------------------------
Youhavethefollowingoptions:
1.Installemailedorcurrentlicensefile.
2.Installdemolicense.
3.ContinuewithoutLicenseInstallation.
--------------------------------------------------
Pleaseselectone:
1
Pleaseenterafullpathtothelicensefile(qtoquit):
/home/msi/License_Pack/msi_lic_cshrc
……
……
/etc/hosts.equivexists.HoweverTheMPICHinstallationincludedas
partofthisMaterialsStudiorequiresthattheuncommentedlinesin
/home/msi/ms/hosts.eqivarepresent.
Pleaseaskyoursystemsadministratortocheckandupdate/etc/hosts.equiv
asrequired.
MaterialsStudioinstallationhascompleted.
三、安装后的处理:
切换到根用户,复制msilic.lic到/home/msi,变更msilic.lic的所有者与所属群组;在msi用户下用/home/msi/msilic.lic覆盖/home/msi/License_Pack/licenses/msilicense.dat
[msi@lm16UNIX]$suroot
Password:
[root@lm16UNIX]#cd/home/msi/tmp
[root@lm16tmp]#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
[root@lm16tmp]#cpmsilic.lic/home/msi
[root@lm16tmp]#cd/home/msi
[root@lm16msi]#ls
License_Packmsmsilic.lictmp
[root@lm16msi]#chownmsi:
msimsilic.lic
[root@lm16msi]#sumsi
[msi@lm16msi]$ls
License_Packmsmsilic.lictmp
[msi@lm16msi]$cdLicense_Pack/
[msi@lm16License_Pack]$ls
binibmibmsprs2licensesmsi_lic_cshrcPolicies
configibmrs2irix6m3Linux_2_Intel_32msi_lic_profileProducts
dataibmsprs1irix6m4logsOSF1_4_Alpha_64sun5
[msi@lm16License_Pack]$cdlicenses/
[msi@lm16licenses]$ls
backupmsilicense.dat
[msi@lm16licenses]$cp/home/msi/msilic.licmsilicense.dat
[msi@lm16licenses]$exit
exit
[root@lm16msi]#exit
exit
[msi@lm16UNIX]$exit
exit
[root@lm16tmp]#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:
2
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-9-200710191304
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:
[ls@localhostbin]$./lp_admin
7、完成
[msi@DELLr710UNIX]$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@DELLr710UNIX]$./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:
28
Startinginstallation...
Installlogin/home/msi/Accelrys/MaterialsStudio44/install.log
Installingeverything...
CheckingfordependenciesforAmorphousCellServer:
6
CheckingfordependenciesforAmorphousCell:
None
CheckingfordependenciesforLicensing:
1
CheckingfordependenciesforLicensePack:
None
InitializingInstallShieldWizard........
LaunchingInstallShieldWizard........
-------------------------------------------------------------------------------
AccelrysLicensePack7.6-InstallShieldWizard
WelcometotheInstallShieldWizardforAccelrysLicensePack7.6
TheInstallShieldWizardwillinstallAccelrysLicensePack7.6onyour
computer.
Tocontinue,chooseNext.
AccelrysLicensePack7.6
AccelrysSoftwareInc.
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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