How do I install GAMESS to work with ChemBio3D v15?
Chem3D version 15 and above will only support the 64-bit version of the precompiled binaries that are distributed through the official GAMESS site. To make GAMESS function within Chem3D, please follow these steps:
- System Requirements
- 64-bit Microsoft Windows Operating System: Chem3D v15 only supports the 64-bit version of GAMESS because the 32-bit version is no longer being updated since version "August 2011 R1".
- Microsoft Visual C++ 2010 Redistributable Package (x64): This will install the Windows libraries that are needed for the GAMESS binary. Please navigate to http://www.microsoft.com/en-us/download/details.aspx?id=13523
- HPC Pack 2008 R2 MS-MPI Redistributable Package with Service Pack 4: Communication protocol used for both serial and parallel runs. Please navigate to http://www.microsoft.com/en-us/download/details.aspx?id=14737
- Navigate to the GAMESS site, click on the GAMESS menu and select DOWNLOAD.
- Select the link “obtaining GAMESS”, this re-directs to the GAMESS User License Agreement.
- Agree with the terms of the GAMESS User License Agreement, enter your email address and select the GAMESS version for Microsoft Windows on the GAMESS registration page, then click on Submit Request.
- You will receive an email shortly with download instructions. Click on the link in the email and enter credentials provided in the email.
- Click on the default GAMESS installer "2013-GAMESS-PGI-LINUX-Blas.msi" recommended by Chem3D
- Double-click on the downloaded installer to install the GAMESS for Microsoft Windows 64-Bit Binary.
- Click on Next to proceed with the installation and finish.
- The default installation directory for GAMESS on a 64-bit Microsoft Windows is C:\gamess.64. The config file parameters.gms present in the installed path specifies the location of the GAMESS path and other configuration paths. If GAMESS is installed in a different location then the parameters.gms file needs to be updated.
- Launch Chem3D and run GAMESS by selecting Calculations->GAMESS Interface.
- There are issues with NMR computations with the recommended GAMESS installer “2013-GAMESS-PGI-LINUX-Blas.msi”.
Workaround: Install “2013-GAMESS-PGI-FAST.msi” installer from the GAMESS download page.
- Users should restart the system after installing the "MS-MPI Redistributable Package".