: Set %NProcShared to match the physical core count of your hardware. Avoid hyperthreading cores, as they degrade quantum chemistry calculation speeds.
Users should replace "Revision C.01" with the specific revision identifier they actually use. gaussian 16 revision c.01
: This revision addressed several memory allocation issues, particularly those occurring during parallel runs with high angular momentum or cluster parallelism . Major Bug Fixes & Refinements : Set %NProcShared to match the physical core
: Calculating NMR, IR, Raman, UV/Vis, and photoelectron spectra . gaussian 16 revision c.01
: In terms of performance, the most significant hardware addition was official support for NVIDIA V100 GPUs (Volta architecture) for Hartree-Fock and DFT calculations under Linux. This built on the support for older P100 GPUs introduced in Rev. B.01.