应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

CyRhmU.jpeg
小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » MS » 【原创】在Fedora下安装Materials Studio 4.3
51/1返回列表
查看: 5536  |  回复: 17
只看楼主@他人 存档 新回复提醒 (忽略) 收藏    在APP中查看
【奖励】 本帖被评价7次，作者souledge增加金币 6 个
当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

souledge

专家顾问 (著名写手)

[资源] 【原创】在Fedora下安装Materials Studio 4.3已有3人参与

系统环境：Fedora 12 i386 chs，运行于VMWare 7下。
直接安装Materials Studio 4.3会确定无疑的提示如下（比如只选择3号，也就是CASTEP安装。）：
Checking for dependencies for CASTEPServer:7
Checking for dependencies for CASTEP: None
Checking for dependencies for Licensing:1
Checking for dependencies for LicensePack: None
Aborting Materials Studio installation.
然后看到当前用户目录下，只有个空荡荡的Accelrys的文件夹。
其实，上面那些依赖信息和数字，并不是失败的根源，有兴趣的同学可以参考一下安装盘中/UNIX/installer/Linux/default下三个配置文件就明白了。
具体发现如何修改的过程就不说了，其实在T2050的破CPU的老本本下跑VM还是很痛苦的，并且Materials Studio也是个大软件，为了查找发生错误的根源，从最基本的install.log（写个脚本在删除前拷贝出）开始入手，一点点的翻阅可能有关的所有安装用脚本、配置文件和安装包，折腾了三个小时才搞定。幸好自己有不少写C/C++玩的经验，否则这么多代码，估计得看到明天早晨了。
直接入正题了。
做两处修改，第一个，/UNIX/Installer/lib/InstallTools.pm中，有个子函数GetOSVersion。其中校验了两个系统。把出现的四个redhat-release都修改为fedora-release。
第二个，/UNIX/Installer/lib/LicensePack.pm中，有一段是安装证书包的，问题出在if的检验上。原来的代码：
if (
                system(
"$SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer"
                ) != 0
          )
直接在终端测试，无法运行call_lp_setup.csh，所以结果肯定是非零，根据判断非零所需要调用的代码，大家很痛心疾首的：
                print "Aborting Materials Studio installation.\n";
                system("rm -rf $MSInstallRoot";
于是，直接更新了csh脚本执行命令，然后为了防止系统默认并不是执行的csh而是其他脚本命令，直接在代码强制执行csh，所以这段代码就成为了：
if (
                system(
"csh $SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer"
                ) != 0
          )
于是再进行安装，一切顺利。
顺便后悔一下安装了Linux Security，居然把我的Gataway给拦截了。以前还拦截了Adobe Reader，崩溃。
另外，由于Ubuntu是基于Debian的，使用的包的类型与Red Hat和SUSE都不太相同，想要做修改安装的同学，要再多加点油了。至少现在，Fedora和CentOS应该是都没有问题的了。
当然了，前提是先需要把安装文件从ISO中拷贝到硬盘上，否则是无法修改后保存的。
修改后的安装过程入下（终端过程，由于VM中划分的硬盘空间比较小，所以只安装了CASTEP作为例子，其他的也都没有问题）：
CODE:
[VM@localhost ~]$ cd MS
[VM@localhost MS]$ ls
Crack  Info  Legal  README_Materials_Studio.htm  UNIX
[VM@localhost MS]$ cd UNIX
[VM@localhost UNIX]$ ./Install
Running Materials Studio installer for platform Linux...
Please specify an absolute destination path [/home/VM/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. Everything

Enter items to install (e.g. 1,2,5) , or Q to quit : 3

Starting installation...
Install log in /home/VM/Accelrys/MaterialsStudio43/install.log

Checking for dependencies for CASTEPServer:7
Checking for dependencies for CASTEP: None
Checking for dependencies for Licensing:1
Checking for dependencies for LicensePack: None
/home/VM/MS/UNIX/License_Pack/lp_setup: line 77: [: too many arguments








          Initializing InstallShield Wizard........
          Launching InstallShield Wizard........

/home/VM/MS/UNIX/License_Pack/lp_setup_linux.sh: line 1735: warning: here-document at line 1735 delimited by end-of-file (wanted `/dev/null')

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard

Welcome to the InstallShield Wizard for Accelrys License Pack 7.5

The InstallShield Wizard will install Accelrys License Pack 7.5 on your
computer.
To continue, choose Next.

Accelrys License Pack 7.5
Accelrys Software Inc.
http://www.accelrys.com



Press 1 for Next, 3 to Cancel or 5 to Redisplay [1] 1

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard

Accelrys License Pack 7.5 Install Location

Please specify a directory or press Enter to accept the default directory.

Destination Directory [/home/VM/Accelrys]

Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard

Select the features for "Accelrys License Pack 7.5" you would like to install:

   Accelrys License Pack 7.5

   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] 0


Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard

Accelrys License Pack 7.5 will be installed in the following location:

/home/VM/Accelrys/LicensePack

with the following features:

LicensePack

for a total size:

153.8 MB

Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard


Installing Accelrys License Pack 7.5. Please wait...


|-----------|-----------|-----------|------------|
0%         25%         50%         75%        100%
||||||||||||||||||||||||||||||||||||||||||||||||||

Creating uninstaller...


Finalizing the Vital Product Data Registry. Please wait...


Configuring License Pack

-------------------------------------------------------------------------------
Accelrys License Pack 7.5 - InstallShield Wizard

The InstallShield Wizard has successfully installed Accelrys License Pack 7.5.
Choose Finish to exit the wizard.

Press 3 to Finish or 5 to Redisplay [3] 3

Checking for dependencies for MKL:1
Checking for dependencies for IntelRuntime: None
Checking for dependencies for HPMPI:1
At least one MPI-capable server was selected. Do you want to configure
Materials Studio to use HP-MPI? [Y/n]  y
Should HPMPI use SSH? [Y/n]:  y
Configuring HP-MPI installation
Setting up machines.LINUX file in /home/VM/Accelrys/MaterialsStudio43/share/data
Checking for dependencies for SharedSetup:4
Checking for dependencies for GatewayTmp: None
Please specify the location for temporary files (required for certain
computational servers), e.g., /tmp or /usr/tmp.  Enter ./tmp if you prefer
to create these files in the directory where the job is being run. Please
note that the ./tmp setting could create additional I/O overhead and thereby
affect performance [/tmp] :
Checking for dependencies for GatewayScripts: None
Configuring environment setup
Setting installation path in environment setup script files
Checking for dependencies for Gateway:2
Configuring Gateway to use default port
Configuring Gateway for supported queueing systems
Checking for dependencies for PPComponents: None
Creating Stand alone CASTEP script /home/VM/Accelrys/MaterialsStudio43/CASTEP/bin/RunCASTEP.sh

System configuration details for HP-MPI
These checks assume that the default user authentication mechanism is being
used. Your System Administrator may have chosen to use an alternative
mechanism. If you find that parallel jobs fail you should consult your
System Administrator and ask them to perform appropriate configuration
work. For further details please refer your System Administrator to the
installation documentation under the info folder on your installation CD


Checking remote shell settings for MPI

openssh-clients package is installed.

/etc/hosts.equiv does not exist. The HP-MPI installation included as part of
this Materials Studio requires that this file exists and contains
the lines in /home/VM/Accelrys/MaterialsStudio43/hosts.equiv.
Please ask your systems administrator
to create a /etc/hosts.equiv file that contains these lines.
Press ENTER to continue:
If you would like the Gateway at /home/VM/Accelrys/MaterialsStudio43/etc
to be started automatically when the system is restarted
you will need to get your administrator to place a copy of
/home/VM/Accelrys/MaterialsStudio43/etc/Gateway/msgateway_control_18888 in /etc/rc.d/init.d/msgateway_control_18888
and run:

/sbin/chkconfig --add msgateway_control_18888


Please refer to the installation instructions for more details.

A Materials Studio Gateway provides access to server components
installed  on your machine. By default the Gateway is configured
to use minimum security. You can use the Gateway configuration
tools after installation to enforce higher levels of security.
The servers in this installation will not be available from the
Materials Studio visualizer until the Gateway has been started.
If you choose not to start the Gateway now you will need to start
it manually after this installation has completed.

Please refer to the help text on the CD for instructions on how
to start, stop, and customize your Gateway configuration.

Would you like to start the Gateway service now? [Y/n]: y
Starting gateway...
/home/VM/Accelrys/MaterialsStudio43/etc/Gateway/apache/bin/httpd: error while loading shared libraries: libcrypto.so.0.9.8: cannot enable executable stack as shared object requires: Permission denied

Materials Studio installation has completed.
回复此楼

» 收录本帖的淘帖专辑推荐

科研技巧 MS & VASP 模拟 Materials Studio

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:
1楼2010-11-20 23:35:48
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

量化新手

新虫 (正式写手)
引用回帖:
1952299楼: Originally posted by souledge at 2012-02-01 17:07:32
成功在Ubuntu 11.10上安装了MS 5.0，并且测试计算CASTEP成功～
安装步骤同上，启动密钥管理需要找Debian的ia32-lib库和几个要求的库文件，这个就是花点时间。
HPMPI方面，可能会提示缺少一个包，这个包在Ubunt ...

在Ubuntu下不能自动，怎么手动设置SSH免密码登录啊，谢谢楼主
赞一下(1人) 回复此楼
18楼2013-01-15 20:46:12
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 18 个回答

souledge

专家顾问 (著名写手)
给自己补充一下，顺便抢个沙发。
一直以来，都是在实体实验的间隙，在Windows下用Materials Studio算点数据，希望能丰富实验的结果，能出好点的论文的（陶瓷那东西，实验不确定因素太多，模拟也不好建模，有时很让人抓狂）。
后来在台机上安装了Red Hat Enterprise Linux 5.5，自然是安装Materials Studio没问题，并且发现在Linux下，MS的效率似乎更高一些。
但是由于RHEL是要收费的，免费的只能盗用CentOS的源，系统混合了不说，很多软件都因为开发包太低，依赖关系太低装不上，上次安装个ffmpeg插件都搞了两天，结果还没弄好（扯远了）。不过Fedora在娱乐上还是很不错的，并且源很丰富，界面也精彩，很适合不太懂Linux的新人使用。
相信这篇帖子是能帮到一部分人的。
当然了，在Fedora和Red Hat下用MS效率有没有差别，就没有测试了~
至于测试Materials Studio 4.3，是因为手头只有4.3和5.0的两个Linux版，5.0太大，VM中硬盘空间不够……但是相信这两个都可以用同样的方法修改安装脚本后进行安装的。

[ Last edited by souledge on 2010-11-20 at 23:50 ]
赞一下 回复此楼
2楼2010-11-20 23:42:47
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lbambool

木虫 (著名写手)
★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
mazuju028(金币+1):谢谢交流 2010-11-21 10:13:24
RHEL是可以用的，稳定，用于计算的计算机不要频繁更新，一般也不接外网，更新的那些对计算是没有什么意义的，还容易引入其他问题，所以RHEL的更新不是拒绝使用的理由，如果一定要更新的话用CENTOS也是不错的选择。
Fedora更适用于个人版的桌面，应用程序全而新，但对于计算来说，就未必有益了。个人觉得，无论用哪一类系统，稳定是最重要的，不要把时间都花在系统调试和安装上。
赞一下(2人) 回复此楼
3楼2010-11-21 00:24:21
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

hbcsucy

木虫 (小有名气)
★
小木虫(金币+0.5):给个红包，谢谢回帖交流
试了一下，5.0的还是没能安装，郁闷ing
赞一下(1人) 回复此楼
4楼2010-11-21 09:33:42
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
简单回复
cenwanglai12楼
2012-02-29 02:53   回复  
五星好评  
查看全部 18 个回答
☆ 无星级 ★ 一星级 ★★★ 三星级 ★★★★★ 五星级
普通表情 龙 兔 虎 猫 高级回复(可上传附件)
信息提示
关闭
请填处理意见
关闭