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Sample input and submission script is available at /share/Apps/examples/gamess

Tips

GAMESS does not provide a comprehensive basis set. Most likely you would need to add the basis set in your input file. Alternatively, you can create a file that contains the basis set i.e. create your own basis set database. Use the environmental variable EXTBAS to point to that file and add the line $BASIS EXTFILE=.T. GBASIS=somename $END when you need to your input to use the somename basis set.$=.

Note

*If you use GAMESS on other resources such as XSEDE, take note that the rungms script has been modified to run on Sol. Please refer to the user docs for the resource in question for help in running GAMESS.*

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