I have it already set up in my system as shown above in my ".profile" file, and if I enter "g16" in a terminal, it launches Gaussian16. So, would it be redundant or create a conflict if I additionally exported g16 as follows?
If your system is able to find the executable and launch Gaussian correctly then your environment variable is set properly. Changing this would lead to conflicts.
In the MetalDock setup instructions for Gaussian16, it says to export the following environment variable:
export g16root=/full/path/to/gaussian/g16
However, according to the Gaussian16 installation instructions, this variable should be set as follows (for my system):
Gaussian16
export g16root="/home/rjrich/zware" export GAUSS_SCRDIR="/home/data1/gau_scratch" . $g16root/g16/bsd/g16.profile
I have it already set up in my system as shown above in my ".profile" file, and if I enter "g16" in a terminal, it launches Gaussian16. So, would it be redundant or create a conflict if I additionally exported g16 as follows?
export g16root="/home/rjrich/zware/g16/g16"
Thanks.
-- RJR