Thank you for the reply. I have found the problem and solved it after I read the post entitled ’ SAPT with ECP for Iodine atom’. I reset my basis set to
set globals {
basis def2-tzvp
df_basis_sapt def2-tzvp-ri
scf_type DF
}
Then it can proceed and end normally.
PS. I do not have 200 GB memory. It is supposed to be 20GB. It a clerical error but not the problem.