Sapt runtime error

I’m having trouble with a sSAPT0 calculation (and sSAPT0-ct), everything seems to run fine with a smaller basis set (def2-svp) but with def2-tzvp, the last steps fail and I get this:

Traceback (most recent call last):
  File "/usr/local/psi4/bin/psi4", line 260, in <module>
  File "<string>", line 82, in <module>
  File "/usr/local/psi4/lib//psi4/driver/", line 460, in energy
    wfn = procedures['energy'][lowername](lowername, molecule=molecule, **kwargs)
  File "/usr/local/psi4/lib//psi4/driver/procrouting/", line 3560, in run_sapt_ct
    e_sapt = core.sapt(dimer_wfn, monomerA_wfn, monomerB_wfn)

Fatal Error: PSIO Error
Error occurred in file: /home/nevensky/.psi4/psi4/psi4/src/psi

<input/output files removed>

Thanks for your help.

Seems I’ve ran out of disk space. But the error itself seems obscure at best.

Yes, PSIO errors are notoriously unhelpful. We have dreams of switching to hdf5 or bd.