警告：未保存任何计算。可能发生Psi4分段错误。警告）

Question

我正在尝试使用称为openfermion，psi4和openfermionpsi4的python库来计算氢分子的基态能量。

这是我编写的代码。

from openfermionpsi4 import run_psi4
from openfermion.transforms import get_fermion_operator, jordan_wigner, bravyi_kitaev
from openfermion.utils import eigenspectrum
from openfermion.transforms import get_sparse_operator
from openfermion.ops import FermionOperator
import numpy as np
import matplotlib.pyplot as plt

#define constants
basis = "sto-3g"  #basis set
multiplicity = 1  #spin multiplicity
charge = 0        #total charge for the molecule
distance = 0.65
geometry = [("H",(0,0,0)),("H", (0,0,distance))]  #xyz coordinates for atoms
description = str(distance)  #description for the psi4 output file

molecule = MolecularData(geometry, basis, multiplicity, charge, description)

molecule = run_psi4(molecule,run_scf=1,run_fci=1)

但是，如果我执行了最后一行，则会收到以下警告。

Warning: No calculation saved. Psi4 segmentation fault possible. Warning)

如何确定计算的保存位置？如果有人为我提供解决此问题的方法或猜测，我将不胜感激。