Gaussian

How to use Gaussian

$ module load lcpq/gaussian/g16-b01

How to use gaussview running on Curie with macOS

$ gview.sh -mesagl

Use gaussian with zen2/nanox/actipnmr/molqed nodes (amd zen2 and newer)

To avoid crash code illegal instruction, add in your slurm script :

export PGI_FASTMATH_CPU=haswell

(Already loaded with the gaussian module).