Please see the output file of an geometry optimization, which ended prematurely (after 30 seconds, 14 relaxation steps) without any warnings or error. Even these line was missing “Psi4 encountered an error. Buy a developer more coffee” or “Psi4 exiting successfully. Buy a developer a beer!”
Normally the job runs much longer (100-1000 geometry steps). What is surprising the job ended which message
Psi4 stopped on: Tuesday, 05 September 2023 03:01AM
Psi4 wall time for execution: 0:00:37.08
So it seems this was not crash but termination was handled by psi4, yet there is not error or any message why the job terminated before reaching required convergence criteria.
Note: this is not singular case, it actually happened to ~400 out of 1200 jobs I submited (different pairs of hydrogend molecules using 2 fragments and BSSE correction - see attached file)
psi.txt (3.9 MB)