Discovery Studio 3.1 for Linux64在RHEL5.4下的安装
一、配置IP地址和主机名$ vi /etc/hosts; ##修改IP地址和主机名，主机名与msi.lic中保持一致
127.0.0.1localhost.localdomain localhost
::1 localhost6.localdomain6 localhost6
192.168.1.XXX Server Server
二、安装DS3.1
$ cd PP85_Linux64/
$ ls
8_5_0_200 client_install.pdfPP85_Readme.pdfscirootinstall
admin_ref.pdfLinux64 relnotes_85.pdfsciseallow
AUTORUN.INF msi.lic relnotes_8.pdf server_install.pdf
bin packages sciinstall
$ ./sciinstall
Install the Pipeline Pilot Server on the following:
RHEL 5
SLES 11
Red Hat release 5 is supported.
Continue with the installation? (y or n)
>>>
********************************************
*Pipeline Pilot Server 8.5 Installation*
********************************************
1.Install a new server
2.Reinstall an existing installation
3.Upgrade an existing installation
4.Install a new server to a new location and upgrade the database from existing installation
5.Add/Remove packages from an existing installation
Choose (1-5)>>>
Enter the target directory for the server installation.
>>>/home/phamlab/Accelrys/PPS; ##该处最好指定Accelrys下级目录，否则将使PP等软件安装在Accelrys文件夹外。
Confirm path for the server installation:
/home/phamlab/Accelrys/PPS
Is this correct? (y or n)
>>>
Enter the path to your license file.
>>>/home/phamlab/software/DSCollection_new.lic; ##该lic为安装模板许可，具体内容根据实际购买模板有所区别。注意：该lic并非最终软件许可（msi.lic）
Package License Status Action
1. Core Yes Not Installed Install
-. ADMET No Not Installed -
-. ADMET Data No Not Installed -
……
……
Required Space: 3.76 GB, Available Space: 646.75 GB
Choose a package number to toggle its action (1-64)>>>
The server will use the following default ports:
HTTP: 9944
HTTPS: 9943
To accept these default ports, press Y.
To change these ports, press N.
Accept default ports? (y or n)
>>>
The installer is checking the HTTP and HTTPS ports.
This may take a few minutes...
Ports 9944 and 9943 appear to be available.
The server requires the DISPLAY environment to be set to an appropriate X server.For performance reasons, the X server should be local, and for headless startup, it should always be running.
By default, the server will startup Xvfb, an X windows virtual frame buffer, as display 9944 and use that as the DISPLAY environment.
The server requires a local directory for lock files (i.e., this directory should NOT be mounted via NFS).
NOTE: The default directory is /var/tmp. The lock file directory that is used requires read, write, and execute privileges for all users. Also note that for cluster configurations, this directory path must exist on each node's local hard drive.
If the default directory is acceptable, press ENTER.
To change to a different directory, enter its name.
Enter the lock file directory path.
>>> ;##此处指定安装过程中临时文件的存放位置，如需重装，则之前应该rm –rf *.*。
If this machine is the primary node in a cluster, select a cluster method:
1. This node is not in a cluster
2. Round Robin
3. Job Leveling
Choose (1-3)>>>
<中间过程略……>
Installation complete.
NOTE: To configure the server for local authentication, impersonation or to install a boot script, run the scirootinstall script as root:
/home/phamlab/Accelrys/PPS/install/scripts/scirootinstall
三、配置PP server和license server开机自启动，注册msi.lic
cd /home/phamlab/Accelrys/PPS/install/scripts/
ls
scigridsetupscirootinstallsciseallowscitegic.tesetpermissions.sh
./scirootinstall
******************************************************
* Pipeline Pilot Server Advanced Installation *
******************************************************
This portion of the installation can only be run as root.
Exiting from the advanced installation.
$ su -
Password:
# cd /home/phamlab/Accelrys/PPS/install/scripts/
# ls
scigridsetupscirootinstallsciseallowscitegic.tesetpermissions.sh
# ./scirootinstall
******************************************************
* Pipeline Pilot Server Advanced Installation *
******************************************************
Enter the directory of the SciTegic server installation.
>>>/home/phamlab/Accelrys/PPS/
The Apache web server should run under a non-root user account.
Enter the user account for running the Apache web server.
>>>phamlab
Confirm phamlab as the web server user? (y or n)
>>>
User phamlab is a member of the following group(s):
>>>phamlab
Enter the user's group for running the Apache web server.
>>>phamlab
Confirm phamlab as the group for user phamlab? (y or n)
>>>
Read token settings from /home/phamlab/Accelrys/PPS/install/tokens.config
Write token configuration file /home/phamlab/Accelrys/PPS/install/tokens.config
Changing file owners in /home/phamlab/Accelrys/PPS/ to phamlab.phamlab
Ignoring /home/phamlab/Accelrys/PPS//public/users ...
The installation of a boot script will allow the SciTegic server to launch automatically when the server machine starts up.
Press Y to install the boot script.
Press N to skip this step.
Install the boot script? (y or n)
>>>
Copying /home/phamlab/Accelrys/PPS//linux_bin/ppilotd to /etc/init.d/ppilotd.9944 ... Done.
Configuring the autoload of the SciTegic
server daemon for runlevels 2 through 5 ... Done.
Setting permissions on /var/tmp/scitegic-mutexes-9944
Authentication is configured in the Admin Portal.
To enable Local authentication, a PAM configuration file must be installed (only once per system).
Press Y to allow Local authentication on this server.
Press N to skip this step.
Allow authentication on this server? (y or n)
>>>
Configuring authentication...
Installing PAM configuration file (/etc/pam.d/scitegic)... Done.
Under impersonation, all jobs are run by
authenticated users. Impersonation is configured in the Admin Portal. But to enable this ability, authentication must be enabled and this script must set the correct permissions.
Press Y to allow impersonation on this server.
Press N to skip this step.
Allow impersonation on this server? (y or n)
>>>
Configuring impersonation...
Setting directory permissions... Done
Advanced installation complete.Please restart the server.
$ cp /home/phamlab/software/msi.lic /home/phamlab/Accelrys/LicensePack/Licenses/
# vi /etc/rc.local <配置lp_server开机自启动>
#!/bin/sh
#
# This script will be executed *after* all the other init scripts.
# You can put your own initialization stuff in here if you don't
# want to do the full Sys V style init stuff.
touch /var/lock/subsys/local
. /home/phamlab/Accelrys/LicensePack/etc/lp_profile
lp_server -s
Esc退出编辑, 按wq 保存并退出 vi
$ cd /home/phamlab/Accelrys/LicensePack/etc
$ ls
lp_archiverlp_echovars lp_lmenv lp_profile
lp_config lp_env_cleanuplp_mpi_vars lp_server_check
lp_cshrc lp_ldenv lp_plat_cshrc
$ .lp_profile
$ lp_server –s ;##启动lp_server
Attempting to start the server...
Server has been started.
Run lp_set_env
OR
csh: source /home/phamlab/Accelrys/LicensePack/etc/lp_cshrc
sh:. /home/phamlab/Accelrys/LicensePack/etc/lp_profile
to refresh shell license administration environment setup.
$ lp_server -x
Attempting to stop the server...
lmdown - Copyright (c) 1989-2006 Macrovision Europe Ltd. and/or Macrovision Corporation. All Rights Reserved.
Port@Host Vendors
1) 1715@Server msi
1 FLEXlm License Server shut down
Server has been stopped.
Run lp_set_env
OR
csh: source /home/phamlab/Accelrys/LicensePack/etc/lp_cshrc
sh:. /home/phamlab/Accelrys/LicensePack/etc/lp_profile
to refresh shell license administration environment setup.
四、升级DS3.1至DS3.1.1
$ <打开另一个终端>
$ ./DS311Update.sh <升级DS3.1至DS3.1.1>
Welcome to the Discovery Studio 3.1.1 Update installer.
Enter the path of Discovery Studio 3.1 Client Installation: /home/phamlab/Accelrys/DiscoveryStudio31
Installing Patch...
Discovery Studio 3.1.1 successfully Installed. 感谢大牙兔给我们带来如此完美的教程！鼓励大家向大牙兔学习分享精神，有分享才有提高！ 不错~~谢谢分享~~~ 求ds linux版,谢谢 大牙兔兄弟能否说说PPS中如何设置并行计算？如PBS 期待3.1软件共享。 Alex2000 发表于 2012-12-24 14:18 static/image/common/back.gif
大牙兔兄弟能否说说PPS中如何设置并行计算？如PBS
PPS目前只支持单节点的并行计算，一般在protocol的advanced，number of processors里设置，涉及CHARMm的模块，线程数为2的N次方，其他可以为2*N，and 这个数值是真实的CPU内核数，最好不要开超线程。 本帖最后由 Alex2000 于 2012-12-26 12:22 编辑
不过我看PPS里的setup里有个grid，里面可以和PBS等通用并行计算mpi程序对接，是不通过PPS的并行计算吧？
在scitegic install guide里有说明，pps可以与已有的grid集群对接，我感觉应该是不受上述限制的 大侠，您有Discover Studio 3以上版本吗？跪求
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