Chemistry 4PB3/6PB3: Computational Methods

How to run a graphics-enabled terminal from a Windows or MacOS operating system
to access ripper.mcmaster.ca - the compute box for Chemistry 4PB3 file

from a Windows computer

There are a number of terminal systems that will allow you to run Gaussian / GaussView.
A simple elegant one is MobaXterm

1. go to http://mobaxterm.mobatek.net/     or        download the MobaXterm 9.4 installer file here
retrieve and install a "home edition" copy of MobaXterm (most likely you will need administrator priveledges to install)


2 Start MobaXterm
    In the MobaXterm window, login to ripper by typing

        ssh username@ripper.mcmaster.ca (where username is your mcmaster email name)
               (enter password)

you will have been given the password by email

3. Start GaussView (graphical user interface for Gaussian) by typing

         username% gv

GaussView should start and open windows with X11 having been tunnelled through your ssh connection initiated by MobaXterm.

4. Don't forget to logout when finished

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from a Mac_OS computer

Xquartz or the built in X11 terminl should work .

Start an X-11 window on Mac OS
In Finder click on Applications click on Utilities click on Terminal.app

An alternative to Terminal which may have enhanced features, and which works on any unix-type OS is Xquartz.app
which can be downloaded from https://www.xquartz.org/         or        download the Xquartz.2.7.11.dmg installer file here

To run Gaussian / GaussView on ripper.chemistry.mcmaster.ca

1. Start X-11 Terminal or XQuartz to open a terminal window

2. type xhost + ripper.chemistry.mcmaster.ca (xhost permits "ripper" to open X11 windows on the MacOS machine)

3. establish an ssh connection to your account on ripper:

      ssh -X username@ripper.mcmaster.ca where username is your McMaster email name
           (enter password)                  (you will be sent that by email)

************
if you get an error message refusing to connect due to "Host key verification failed"
then get the host key for ripper added to the list of allowed hosts on your computer by typing

                ssh-keygen -R "ripper.mcmaster.ca"
***********

4. type gv

5.Don't forget to logout when finished

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From McMaster sites, if you are using the McMaster wireless or an hard wired connection ,you will be able to access ripper and run Gaussian using the approach above.

From home or off-McMaster campus, you first need to log in to the McMaster Virtual Private Network (VPN) before you will be able to connect to ripper using MobaXterm (windows) or Xquartz (MacOS).

You can only get the McMaster VPN software if you are logged in on a McMaster site, with your ID verified.

To download, go to http://www.mcmaster.ca/uts/network/vpn/
follow the instructions on that webpage for installation and first use.
Note there is an activation step which is different depending on whether you activate from a McMaster on-site location, or from home
(Best is to activate on-site).


last changed: 06 Jan 2017 (aph)