The GC3Apps software¶
GC3Apps is a collection command line front-end to manage submission of
a (potentially) large number of computational job to different
batch processing systems. For example, the GC3Apps commands
ggamess can run GAMESS jobs on the SMSCG infrastructure
and on any computational cluster you can
This chapter is a tutorial for the GC3Apps command-line scripts: it explains the common concepts and features, then goes on to describe the specifics of each command in larger detail.
All GC3Apps scripts share a common set of functionalities, which are derive from a common blueprint, named a session-based script, described in Section Introduction to session-based scripts below. Script-specific sections detail the scope and options that are unique to a given script.
- Introduction to session-based scripts
- The ggamess script
- The ggeotop script
- The grosetta and gdocking scripts
- The gcrypto script