XCrySDen 2016
Introduction
Installed version(s)
This version is installed and currently available
on environment hpc-env/8.3:
*'''XCrySDen/1.6.2'''-intel-2019b
Loading / Using XCrySDen
To load the desired version of the module, use the command, e.g.
module load hpc-env/8.3 module load XCrySDen
Always remember: this command is case sensitive!
Since XCrySDen is a package which comes with a graphical user interface, it is mandatory to load it while having an X11 session open (e.g. ssh abcd1234@carl.hpc.uni-oldenburg.de -X). Also, you can run XCrySDen on our compute nodes, but therefore you must establish an interactive connection with X11 forwarding, preferrably with the srun.x11 script (eg. your/path/to/srun.x11 -p carl.p -n 1).
Either way, the program will start after loading the module with the simple command
xcrysden
You can find a lot of example files to test the software functionalities under this path:
$EBROOTXCRYSDEN/share/doc/xcrysden-1.6.2/examples
Documentation
The project page can be found here, or you can directly go to the [how-to page http://www.xcrysden.org/doc/HOWTO.html].
