Usually, if you're trying to think about communication in your MPI program based on physical processors/machines, you're not going about it in the right way. Most of the time, it doesn't matter which actual machine each rank is mapped to. All that matters is that you call mpiexec or mpirun (they're usually the same thing), something inside your MPI implementation starts up n processes which could be located locally, remotely, or some combination of the two, and assigns them ranks. Theoretically those ranks could be assigned arbitrarily, though it's usually in some predictable way (often something like round-robin over the entire group of hosts that are available). Inside your program, it usually makes very little difference whether you're running rank 0 on host0 or host1. The important thing is that you are doing specific work on rank 0, that requires communication from rank 1.
That being said, there are more rare times where it might be important which rank is mapped to which processor. Examples might be:
- If you have GPUs on some nodes and not others and you need certain ranks to be able to control a GPU.
- You need certain processes to be mapped to the same physical node to optimize communication patterns for things like shared memory.
- You have data staged on certain hosts that needs to map to specific ranks.
These are all advanced examples. Usually if you're in one of these situations, you've been using MPI long enough to know what you need to do here, so I'm betting that you're probably not in this scenario.
Just remember, it doesn't really matter where my ranks are. It just matters that I have the right number of them.
Disclaimer: All of that being said, it does matter that you launch the correct number of processes. What I mean by that is, if you have 2 hosts that each have a single quad-core processor, it doesn't make sense to start a job with 16 ranks. You'll end up spending all of your computational time context switching your processes in and out. Try not to have more ranks than you have compute cores.