Hey everyone, Quick question. Is there some lower limit of orbitals per processor where it becomes more efficient to use _fewer_ processors? For example, I assume for 12 orbitals its more efficient to run on 6 nodes rather than 12, but in general how far can this be taken?
I realize that the answer to this is largely system specific, but can anyone give me an order of magnitude ballpark? is this threshold say, 30 or 3,000? I soon will be doing calculations with over 10,000 orbitals and I'm not sure how to distribute it. Thanks in advance! Best, Rob Koch
