Unfortunately, those MPI messages don't provide any information about what caused the failure; as it appears to happen right after the title was printed in the CHARMM log, that does suggest an error during parallel setup. You may need to enable more detailed message reporting with CHARMM.
Until quite recently, calculations using PM Ewald were required to use a total number of cores that was a power of 2; 16, 32, and 64 should be okay, but not 48 cores. I believe that may have changed with c37b1, the next release.
Note that there is a separate forum for issues with QM methods in CHARMM; it's not clear the symptom with GAMESS incorporated is from the same cause.
This should have been a New Topic, instead of a reply to an ancient post; it has been moved.
Last edited by rmv; 02/10/14 06:14 PM. Reason: New Topic!