Warning about Running with a Single-Processor on a Batch Machine

This problem always comes up when running for a single point, because you can only use a single-processor, but may come up in other instances when you are running with one processor. This applies to all the different ways of running in single-point mode.

Note: On many machines is that some batch ques have a minimum number of nodes or processors that can be used. On these machines you may have to change the queue and possibly the time-limits of the job, to get it to run in the batch que. On yellowstone this is done for you automatically, and the "caldera" queue is used for such single-processor simulations.

Another way to get around this problem is to run the job interactively using MPILIB=mpi-serial so that you don't submit the job to the batch que. For single point mode you also may want to consider using a smaller workstation or cluster, rather than a super-computer, because you can't take advantage of the multi-processing power of the super-computer anyway.