A) The Abinitio executeable is non-obviously not MPI compatible. It shouldn’t crash, but it won’t actually work in MPI; it just runs concurrent non-MPI jobs (that overwrite each others’ output).
I suspect it is crashing due to the filesystem getting angry at files overwriting each other, it isn’t giving me a Rosetta error message to work with.
There is an abinitio MPI patch for 3.2 floating around. Would you like me to email it to the address you gave when you signed up for the message boards?