#0 0x7F22291CA407 #1 0x1155997 #2 0xCA4D86 #3 0xC16B95 #4 0x403FFD #5 0x403C2C #6 0x7F22286D3B44 #7 0x403C5C #8 0xFFFFFFFFFFFFFFFF --- !ERROR message: | Fortran open returned iostat 21 while opening: / , IOMSG: '/' is a directory src_file: Subroutine Unknown src_line: 0 ... Traceback (most recent call last): File "test.py", line 10, in system.get_potential_energy() File "/home/askhl/src/ase/ase/atoms.py", line 676, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/home/askhl/src/ase/ase/calculators/calculator.py", line 422, in get_potential_energy energy = self.get_property('energy', atoms) File "/home/askhl/src/ase/ase/calculators/calculator.py", line 461, in get_property self.calculate(atoms, [name], system_changes) File "/home/askhl/src/ase/ase/calculators/calculator.py", line 620, in calculate (self.name, errorcode)) RuntimeError: abinit returned an error: 1