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Running Gaussian16 on HPC Clusters (Advanced)

Tips and tools for Gaussian16 (gs16) users at CCAST/NDSU

Click here to view the complete tutorial. Topics covered in this tutorial include:

  • Selecting HPC resources.
  • Common input files  for g16.
  • Example job submission scripts.
  • Geometry optimization calculations.
  • Computing excited state properties.
  • Python scripts to extract data from g16 output.

See Also:

Keywords:ccast hpc thunder computing "research computing" gaussian gaussian16 "gaussian 16" parallelism "parallel computing"   Doc ID:107857
Owner:Khang H.Group:IT Knowledge Base
Created:2020-12-15 12:36 CDTUpdated:2022-04-01 07:40 CDT
Sites:IT Knowledge Base
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