Help, Problem with SAPT calculation

Hello, dear everyone, the sapt calculation have an error, but i don’t know how to solve this. Please help,thank you .

Traceback (most recent call last):
File “/home/ai/anaconda3/envs/p4env/bin/psi4”, line 287, in
File “”, line 56, in
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/”, line 556, in energy
wfn = procedures[‘energy’][lowername](lowername, molecule=molecule, **kwargs)
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/procrouting/”, line 3309, in run_sapt
dimer_wfn = scf_helper(‘RHF’, molecule=sapt_dimer, **kwargs)
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/procrouting/”, line 1363, in scf_helper
e_scf = scf_wfn.compute_energy()
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/procrouting/scf_proc/”, line 84, in scf_compute_energy
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/procrouting/scf_proc/”, line 198, in scf_initialize
self.initialize_jk(self.memory_jk_, jk=jk)
File “/home/ai/anaconda3/envs/p4env/lib//python3.7/site-packages/psi4/driver/procrouting/scf_proc/”, line 125, in initialize_jk

Fatal Error: PSIO Error
Error occurred in file: /scratch/psilocaluser/conda-builds/psi4-multiout_1563933640427/work/psi4/src/psi4/libpsio/ on line: 128
The most recent 5 function calls were:

psi::PSIO::rw(unsigned long, char*, psi::psio_address, unsigned long, int)
psi::PSIO::write_entry(unsigned long, char const*, char*, unsigned long)

Printing out the relevant lines from the Psithon → Python processed input file:
core.set_global_option(“SCF_TYPE”, “DF”)
core.set_global_option(“FREEZE_CORE”, “True”)
core.set_global_option(“BASIS”, “jun-cc-pVDZ”)
→ energy(‘sapt0’)

Psi4 stopped on: Tuesday, 09 March 2021 05:21PM
Psi4 wall time for execution: 0:06:28.08

*** Psi4 encountered an error. Buy a developer more coffee!
*** Resources and help at

Please follow the guidelines for posting topics. Without an input file, it is very difficult to help you. Having the output, or at least a Psi4 version number, would make it easier.

PSIO errors are related to input and output and often mean that there aren’t enough computational resources to complete the calculation. You should check that you’re providing the computation with adequate memory, that your Psi4 version is 1.3.2 or newer, and what your scratch space is.