Install Gaussian 16 on a Mac

Note: Official installation guide could be found here.

Contents

1. Unzip installation file

  1. Find the M*.tbz file and double-click, the g16 folder would be generated at current dictionary after finishing the decompressing.
  2. Create a Scratch folder in the g16 folder.
  3. Move g16 folder to the /Application.

2. Set Unix environment variables

  1. Open Terminal.
  2. Run echo $SHELL command, if /bin/bash is displayed in the command windows, you are running bash shell, if /bin/tcsh is displayed, you are running tcsh shell.
  3. If the current shell is not bash or tcsh, run chsh -s /bin/bash, and refer to the following section 2.1.

2.1 If you are running bash shell

  1. Run following command:
    cd
    touch .bash_profile
    ln -s .bash_profile my_profile
    
  2. Go to /Users/your_user_name in Finder, and double-click the my_profile file (open it in TextEdit). Add following contents to the my_profile file:
    export g16root=/Applications
    . $g16root/g16/bsd/g16.profile
    export GAUSS_SCRDIR=/Applications/g16/Scratch
    

2.2 If you are running tcsh shell

  1. Run following command:
    cd
    touch .login
    ln -s .login my_login
    
  2. Go to /Users/your_user_name in Finder, and double-click the my_login file (open it in TextEdit). Add following contents to the my_login file:
    setenv g16root /Applications
    source $g16root/g16/bsd/g16.login
    setenv GAUSS_SCRDIR /Applications/g16/Scratch
    

3. Check installation

Run g16 in Terminal, if Entering Gaussian System, Link 0=g16 is displayed in current windows, the Gaussian 16 is successfully installed on your computer.




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