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GAMESS(General Atomic and Molecular Electronic Structure System) is a general ab initio quantum chemistry package. There are three different versions available in the market; GAMESS (US), GAMESS (UK) and PC GAMESS. The version available in our systems is GAMESS (US). To run GAMESS:

  • Create one subfolder (scr) in your home directory.
  • Create one subfolder in /hpctmp/scr with your userid as the folder name.
  • Create one subfolder in /hpctmp and transfer your input files there. This will be served as your working directory.
  • Create a script file in your working directory using one of these two template: runscript1 and runscript2
  • Submit your jobs using command: bsub < runscript1

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