Warning: No calculation saved. Psi4 segmentation fault possible.

I am having trouble with the basic usage of openfermionpsi4. The error is

molecule = run_psi4(molecule,
                        run_scf=True,
                        run_fci=False)

returning

Users/pablo/.local/lib/python3.7/site-packages/openfermionpsi4/_run_psi4.py:226: Warning: No calculation saved. Psi4 segmentation fault possible.
  Warning)

To replicate it, I have created a conda environment called openfermion, installed both psi4 and openfermion and run a small code:

  1. conda create -n openfermion python=3.7
  2. conda activate openfermion
  3. conda install -c psi4 psi4 as done here
  4. pip install git+https://github.com/quantumlib/OpenFermion.git@master as done in the tutorial in the section Basics of MolecularData class. Notice here that just pip installing openfermion will result in a Module not found error when attempting from openfermion.chem import geometry_from_pubchem, MolecularData.
  5. pip install openfermionpsi4 although everything is already installed, so you may as well skip this.
  6. Run the main code in a jupyter notebook (installed for instance via anaconda navigator)
from openfermion.chem import geometry_from_pubchem, MolecularData
from openfermionpsi4 import run_psi4

methane_geometry = geometry_from_pubchem('methane')
print(methane_geometry)

basis = 'sto-3g'

molecule = MolecularData(methane_geometry, basis, multiplicity = 1)

molecule = run_psi4(molecule,
                        run_scf=True,
                        run_fci=False)

As indicated previously, this last line will raise an error

Users/pablo/.local/lib/python3.7/site-packages/openfermionpsi4/_run_psi4.py:226: Warning: No calculation saved. Psi4 segmentation fault possible.
  Warning)

Thanks in advance for the help

This is not a problem with Psi4, so I’m locking the topic. Further discussion belongs on the OpenFermion-Psi4 issue.