Gaussian G16

Gaussian 16 is the latest in the Gaussian series of electronic structure programs. Gaussian is used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest. The use of the current generation of NVIDIA GPUs is supported for Hartree-Fock and DFT calculations. Refer to the performance notes for details.The changes between G16 Revision B.01 and the previous one are reported in the file: $g16root/release_b01.txt

Version: B.01(MARCONI), C.01(G100), C.02 (LEONARDO)


Target: restricted

Official web site:

Related Commands:

Job script example inside the module help

module load profile/chem-phys

module load g16

Help and Documentation:

module help g16