Non-zero return code error while doij
I was doing Optimization of a molecule at CASPT2/aug-cc-pVDZ level of theory. But I am getting the following error. Can anyone please let me know why this problem is coming. I have attached the inputs and outputs of the calculations for the reference.
Variance of |WF0>: 1.4390823109
Variance of |WF0>: 1.4456735579 --- Stop Module: numerical_gradient at Wed Jan 3 14:05:13 2024 /rc=-1 --- *** files: xmldump saved to directory /home/kalpa/CALC/molecules/VCN/psm_calc/selected_cas_sa/aug-cc-pVDZ/5-0-2_6-10/Opt_freq --- Module numerical_gradient spent 45 minutes 29 seconds ---
.########################. .# Non-zero return code #. .########################.
Aborting... Timing: Wall=75294.57 User=46393.52 System=10174.27