How do I install GAMESS to work with ChemBio3D v18.1?

October 08, 2021 22:58

Date Posted: 2018-12-03
Product: Chem3D

Problem:

Solution:

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 v18.1 only supports the 64-bit version of GAMESS because the 32-bit version is no longer being updated since version "August 2011 R1".
MSMPI v7 from: https://www.microsoft.com/en-us/download/details.aspx?id=49926

Obtaining GAMESS

http://www.msg.ameslab.gov/gamess/

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 "gamess-64-2018-R1-pgi-mkl.msi" recommended by Chem3D

Installation and setup of GAMESS 2018

Install msmpi version 7.
Install msmpi v7 from: https://www.microsoft.com/en-us/download/details.aspx?id=52981.
From the installer website run MSMpiSetup.exe.

Install GAMESS

Install gamess-64-2018-R1-pgi-mkl.msi.
Navigate to the install directory (C:\Users\Public\gamess-64).
From a command window:

Run create-parameters.bat - this will make a rungms.gms file.
Make a tmp directory.
Change the last line of rungms.gms to: SCRATCHDIR=C:\Users\Public\gamess-64\tmp.
COPY (not move) rungms.gms to parameters.gms.

Running GAMESS with Chem3D V18.1

Install and activate Chem3D V18.1 (18.1.0.189 or newer).
Run GAMESS by selecting Calculations->GAMESS Interface.

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