Hello! I’ve recently downloaded QChem and am having trouble setting it up to run calculations using the local server through IQmol - jobs show up as “output file not found”. I’ve been using IQmol, but there were a few calculations that could not run so I wanted to give Q-Chem a try.
I don’t think my run time environment has been properly set up, and it would be great if someone could help me out with this!
I tried to set up the run-time environment as per the instructions from Q-Chem manual 2.1.5 User Account Adjustments in the .tcshrc file. (I couldn’t upload more than 1 screenshot as a new user, but I could share it if required) The paths were copied from the shellvar.txt script from the config folder that was installed.
I’ve also tried changing the run file template on IQmol as so, but I don’t think this is correct. For context, I am using a mac with the csh shell ( i think), but would another shell work better?
Thank you so much for your help and let me know if additional info is required!