open the terminal application (in the Applications/utilities folder)
open two windows, one will be for your local mac and the other for the hpc cluster
on one of them login to the hpc cluster by typing
ssh -XY yourname@login.cx1.hpc.ic.ac.uk
the cluster has two key directories /work/yourname and /home/yourname do all the calculations from the work/yourname directory, from now on this directory will be referred to simply as "work"
cd to your work directory and make a new directory called liquids, cd into the new directory, this is where you will run all your jobs
type into the command line
module load Gaussian
module load Gaussview
type guassview and the gaussview windows should appear on your laptop. You are exporting the display from the hpc, so some lag may be expeirenced from time to time (the program is actually running on hpc)
the purple window is for rotating/translating/visualising your molecule, the grey window with all the buttons allows you to build the molecule and set up a calculation
Gaussview is a graphical front end for Gaussian (the program that actually solves the Schrodinger equation and does the number crunching), we will use it and we will also be editing the files that go directly to Gaussian, where "*" stands for the individual file-name, these files are called
*.com (input file)
*.log (text based output file)
*.chk (binary data/resource file)
Use the help menu in gaussview to access information on using your mouse to manipulate molecules and for more advanced features of building molecules.
note! if gaussview stops repsponding check your wireless connection
