Laboratory for Molecular Simulation

Director: Michael B. Hall Manager: Lisa M. Pérez

Phone: (979) 845-9384Fax (979) 845-2971Rm. 2109 Chemistry
e-mail: mouse@mail.chem.tamu.edu

GaussView 2.0

GaussView 2.0 is a graphical interface to the suite of programs available in Gaussian 98. GaussView 2.0 has been replaced by GaussView 3.0 and is only available on chmsgi and k2

Running GaussView Trouble-Shooting

Running GaussView

chmsgi and any SGI machine that is running IRIX 6.5 or later and has chmsgi:/chem mounted you will need to add the following line to your .tcshrc file:

alias sgv 'source /chem/Gv-2.0/init_gv;gv'

to start GaussView with a white background use:

alias sgvwhite 'source /chem/Gv-2.0/init_gv;gv -bg white'

to start GaussView with orbital colors that are good for printing in grayscale, use:

alias sgvorbital 'source /chem/Gv-2.0a/init_gv;gv -bg white'

k2 - you will need to add the following line to your .tcshrc file:

alias sgv 'source /usr/local/lms/Gv-2.0/init_gv;gv'

to start GaussView with a white background use:

alias sgvwhite 'source /usr/local/lms/Gv-2.0/init_gv;gv -bg white'

to start GaussView with orbital colors that are good for printing grayscale, use:

alias sgvwhite 'source /usr/local/lms/Gv-2.0a/init_gv;gv -bg white'

Warning: If you put the line source /chem/Gv-2.0/init_gv in your .tcshrc file instead of making an alias, it may interfere with your Gaussian98 settings.

To run GaussView type: sgv at the shell prompt

Trouble-Shooting

error:

sgv: Command not found.

The alias that you created in your .tcshrc is either incorrect or has not been activated yet. Check the line in your .tcshrc file and make sure it matches the commands given above. To activate the modified .tcshrc you may log out and log back in or simply type:

source .tcshrc

The source command will activate any changes made to your .tcshrc file.

If you are running on a remote machine and you receive the error:

Xlib: connection to "labmol4.chem.tamu.edu:0.0" refused by server
Xlib: Client is not authorized to connect to Server
Error: Can't open display:labmol4.chem.tamu.edu:0.0

(where labmol4 will be replaced by the local machine name)

You need to make sure that you use the -X flag when you ssh to the remote machine ( ssh -X username@remote_machine_name )
If you are accessing the remote machine from a Linux box, you will probably need to use both the -X and -Y flags when you ssh to the remote machine.