Here are the key details:
export GAUSS_SCRDIR=/scratch/gaussian export GAUSS_MEMDEF=32768 # MB per process export OMP_NUM_THREADS=2 # For hybrid MPI+OpenMP export PGI_ACC_TIME=1 # For GPU profiling gaussian 16 revision c.01
As of 2025, Gaussian Inc. has not announced a formal "Gaussian 17" or "Gaussian 20". Instead, they have iterated on the Gaussian 16 codebase with revisions C.02, C.03, and D.01 (a minor update for Apple Silicon). However, remains the last version with extensive HPC testing and widespread community validation. gaussian 16 revision c.01
A major highlight of Revision C.01 is its expanded support for modern hardware: gaussian 16 revision c.01