GAMESS en - cmsi/MateriAppsLive GitHub Wiki
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How to install GAMESS using GAMESS Setup
- Obtain a download password from https://www.msg.chem.iastate.edu/gamess/License_Agreement.html (with choosing ""GAMESS ... for 64bit x86_64..." in "Source Code Distribution" section). Note that the password changes every week, and you have to obtain a new password again after expiration
- Start MateriApps LIVE!
- Start "GAMESS Setup" from "MateriApps" menu (or you can start "gamess-setup" from terminal)
- Input username (
source
) and download password, and click "Install" bottun - Wait until the installation finishes for 5 to 10 minutes (progress will be displayed in log window)
- Script
rungs
and sample input files are installed under$HOME/bin
and$HOME/gamess/tests
, respectively
A simple example of running GAMESS
-
Prepare input files and execute GAMESS (using single process)
cp $HOME/gamess/tests/standard/exam01.inp . rungms exam01.inp 00 1