I was wondering if there is an option for “DRY RUN” that can predict the hardware requirement of the job.
Such as, I was calculating polarizability at ccsd which created large integral files (~650 GB) at diffuse triple zeta basis. The job was aborted and workstation stopped responding. Probably due to full disk.
Is there any method to check if method/basis would require memory and disk space so we can effectively lower the method or basis before going for the long run.