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Computing Support

The Office of Engineering Computing (OEC) provides administrative IT support for the School of Physical Sciences.
We also provide IT support for various campus entities, including labs, via our recharge system. 

For more information, please visit: oec.ucsd.edu

Research Computing and Data (RCD) Support

For Research computing and data support, please visit: research-it.ucsd.edu

 

 

Software

Gaussian

State-of-the-art capabilities for electronic structure modeling.

The software provided is version 9, and is only available to Chemistry-affiliated individuals. The provided media installation will only work on Mac/*nix operating systems. To obtain this software, please reach out to oec@ucsd.edu.

Mnova

Mnova can be installed on Windows, macOS, and Linux systems.
Please follow this link to download Mnova v 14.2.3: https://mestrelab.com/download/mnova/

Please note: Mnova NMR Predict is included in Mnova and the plugin is selected by default during installation of Mnova. 

Instructions: Once you have downloaded the installer file from Mestrelab, please download the respective license file below for your system. Once you install and run Mnova, go to ‘Help/Get-Install' menu and click on 'Install' button ('Help/Evaluate-Buy’ and click on ‘Activate’ if you are using Mnova v8.0.0 or older) then navigate to the license file and double click on it. 

Chemistry has a license for Mnova v 14.2.3. Please take care to download and install that specific version. 

Method for Windows: The following is the instructions on obtaining license files on Windows via File Explorer.

  1. Open up a File Explorer window by pressing Windows key + E
  2. Right Click "This PC" on the sidebar, and "Map Network Drive..."
  3. On the Folder path, type in \\chem-license.ucsd.edu\Mnova-License as shown below.
  4. You'll be prompted for your credentials: Log on with your AD account.
  5. On the "Enter network credentials" prompt, please click on "More choices" on the bottom, then select "Use a different account."
  6. For the user name, please type in (without the quotation marks and replace ADUser with your AD login) "ad\ADUser" and your AD password in the password field.
  7. Inside the file share, copy ALL the files over to your desktop. There should be 3 license files, and a registry key (.reg). Double click the mnova-license-config.reg file key on your computer to install the key. Open up Mnova and and go to ‘Help/Get-Install' menu and click on 'Install' button then navigate to the license file and double click on it. 

Method for macOS:The following is the instructions on obtaining license files on macOS.

  1. While on desktop, press Command + K (Or from the top Menu bar, Go -> Connect to a Server)
  2. On the Server Address line, type in: smb://chem-license.ucsd.edu/Mnova-License
  3. You'll be prompted for you credentials: Log on with your AD account.
  4. Inside the file share, copy ALL the files over to your desktop. There should be 3 license files, and a registry key (.reg).

ITS Licensed Software

ITS Software provides a variety of other chemistry-specific software. Details can be found here: software.ucsd.edu.