Intel or AMD x86_64 architecture with AVX2 instruction set support.
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Gaussian 16 is typically installed from source or pre-compiled binaries on Linux distributions like or CentOS . gaussian 16 linux
Gaussian 16 (G16) for Linux provides advanced quantum chemistry modeling through a flexible, command-line-driven environment North Dakota State University (NDSU) Key Features for Linux High Performance Computing (HPC):
Whether you are running on a or a Slurm/PBS cluster Intel or AMD x86_64 architecture with AVX2 instruction
Match %NProcShared to the physical core count of your processor. Avoid using hyperthreaded logical cores, as they degrade quantum chemistry calculation performance. Network Parallelism (Multi-Node / Cluster)
Add:
g16 < input_file.com > output_file.log
Apply the changes to your current session by running source ~/.bashrc . Running a Test Calculation If you share with third parties, their policies apply