Command Line Submission

It is possible (although not necessarily suggested) to run computational jobs without using the Spartan Graphical User Interface (Spartan GUI). Spartan can be run from the command line with the "--submit <moleculename>" where "moleculename" is a Spartan molecule created by the GUI. One can also use the "--foreground-submit <moleculename>" which will not return until the job is completed. (This is useful when used in shell scripts.) An example on how to do this on a PC can be found here and under Linux here.

It is advised to use the Spartan GUI to build molecules. This is a good way to ensure that the molecule is correct and that valid submissions will occur. However, it is possible to create molecules without the Spartan GUI; these methods assume that the user has significant programming and system skills.

Assuming one is willing to experiment with homegrown shell submission the remaining part of this FAQ will discuss the internal Spartan file format. It is important to note that this description is not complete, but should be enough for simple submission scripts.

Phil Klunzinger
Author: Phil Klunzinger

Last modified: Fri May 13 21:37:26 GMT 2016