Gaussian 16 Linux -

A minimum of 2 GB per core is required, though 4 GB or more per core is recommended for large DFT or post-Hartree-Fock (e.g., MP2, CCSD) calculations.

If you need a specific quantum chemical method, G16 likely has it, and it is likely debugged to perfection. gaussian 16 linux

#!/bin/bash #SBATCH --time=12:00:00 # Expected run time #SBATCH --partition=cpu-clx:ssd # Specific partition #SBATCH --mem=16G # Total memory for the node, should be ~2x %mem #SBATCH --cpus-per-task=16 # Number of CPUs, match %NProcShared A minimum of 2 GB per core is

If you want, I can:

Many HPC centers provide detailed usage guides and require users to be added to a special Unix group (e.g., gaussian ) to access the software. G16 likely has it