Detailed steps to install XCrySDen softwre on Ubuntu 10.04
I am very much new to Linux. I am trying to install the software XCrySDen on Ubuntu 10.04 platform. I want detailed steps to follow in order to install the same. I am understanding the steps given in its installation manual. Please help me by giving detailed steps.
XCrySDen installation procedure is as follows:
1. Unpack the *.tar.gz archive-file.
2. Define the XCRYSDEN_TOPDIR and XCRYSDEN_SCRATCH environmental variables (XCRYSDEN_TOPDIR should point to XCrySDen root directory).
3. Create the XCRYSDEN_SCRATCH directory.
4. Launch the program as xcrysden.
5. From time to time clean the $XCRYSDEN_SCRATCH directory. For example, use the xc_cleanscratch utility.
BEWARE: it is recomemded to run the "./xcConfigure" script instead !!! [READ BELOW]
A Bit Longer Installation Instructions
After unpacking the *.tar.gz archive-file, each user should define two environmental variables: XCRYSDEN_TOPDIR and XCRYSDEN_SCRATCH. This can be facilitated by the xcConfigure script which in addition asks some questions and configures the package accoring to user's wishes. From XCrySDen root directory execute:
The xcConfigure script modifies your profile (.bashrc or .profile or .cshrc, depending on the shell). It defines the two environmental variables (XCRYSDEN_TOPDIR and XCRYSDEN_SCRATCH), and modifies the PATH variable by including the $XCRYSDEN_TOPDIR to the path. Then you should source the corresponding profile in order to load the newly-added definitions. If you are using the csh- or tcsh-shell then execute:
* source ~/.cshrc
For for sh-shell execute:
* . ~/.profile
For bash-shell execute:
* . ~/.bashrc
Then you can lanuch the program as:
I have done upto * ./xcConfigure. I am understanding how to do the next steps.
For example: I do not know how to do the step XCRYSDEN_TOPDIR should point to XCrySDen root directory
Also I do not know what is meant by * source ~/.cshrc
Problem in Installation of XCrySDen software
I am getting this message after the steps and trying to execute xcrysden:
/home/system4/XCrySDen-1.4.1s-all/xcrysden: 200: /home/system4/XCrySDen-1.4.1s-all/bin/xcrys: not found
Kindly suggest me what to do?
PWSCF output files are not opened in XCrySDen
|All times are GMT -5. The time now is 07:10 PM.|