sp-announcements mailing list archive
Index Gaussian 03 at NERSC

From: Jonathan Carter (jtcarter_at_lbl.gov)
Date: 01/29/2004


Dear NERSC SP User,
 
Gaussian '03 has been installed on the NERSC IBM SP. For more details on
the capabilities of this new release, please see
http://www.gaussian.com/g_brochures/g03_new.htm and also the NERSC
webpage at http://hpcf.nersc.gov/software/apps/chemistry/g03/
 
Due to a new license agreement between Berkeley Lab and Gaussian Inc.,
each user must certify that they are not directly or indirectly engaged
in competition with Gaussian Inc. To do this, issue the commands:
 
module load g03
g03_register
 
Your response will be recorded, and you will be granted access in a
timely manner.
 
If you wish to use old checkpoint files from G98 A9, please read the
instructions for converting the files on the NERSC Gaussian webpage.
Gaussian 98 will remain installed on the system, the default version
being changed to from A9 to A11 on February 9.
 
Regards,
Jonathan Carter