Traceback (most recent call last):
  File "/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 276, in <module>
    driverpath, symbol, lattice, model, latticeconstant, ecohesive
  File "/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 67, in sweepSurfaces
    model, symbol, lattice, miller, latticeconstant, ecohesive, isolated_atom_energy
  File "/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 127, in getSurfaceEnergy
    e_unrelaxed, e_relaxed, pos_unrelaxed, pos_relaxed = surface_energy(surf)
  File "/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/surface.py", line 211, in surface_energy
    dyn.run(fmax=accuracy)
  File "/usr/local/lib/python3.6/dist-packages/ase/optimize/optimize.py", line 246, in run
    return Dynamics.run(self)
  File "/usr/local/lib/python3.6/dist-packages/ase/optimize/optimize.py", line 159, in run
    for converged in Dynamics.irun(self):
  File "/usr/local/lib/python3.6/dist-packages/ase/optimize/optimize.py", line 146, in irun
    self.log()
  File "/usr/local/lib/python3.6/dist-packages/ase/optimize/optimize.py", line 259, in log
    forces = self.atoms.get_forces()
  File "/usr/local/lib/python3.6/dist-packages/ase/atoms.py", line 722, in get_forces
    forces = self._calc.get_forces(self)
  File "/usr/local/lib/python3.6/dist-packages/ase/calculators/calculator.py", line 612, in get_forces
    return self.get_property('forces', atoms)
  File "/usr/local/lib/python3.6/dist-packages/ase/calculators/calculator.py", line 642, in get_property
    system_changes = self.check_state(atoms)
  File "/usr/local/lib/python3.6/dist-packages/ase/calculators/kim/kimmodel.py", line 625, in check_state
    return compare_atoms(self.atoms, atoms)
  File "/usr/local/lib/python3.6/dist-packages/ase/calculators/kim/kimmodel.py", line 662, in compare_atoms
    if not equal(atoms1.cell, atoms2.cell, tol):
  File "/usr/local/lib/python3.6/dist-packages/ase/calculators/calculator.py", line 186, in equal
    return np.allclose(a, b, rtol=tol, atol=tol)
  File "/usr/local/lib/python3.6/dist-packages/numpy/core/numeric.py", line 2423, in allclose
    res = all(isclose(a, b, rtol=rtol, atol=atol, equal_nan=equal_nan))
  File "/usr/local/lib/python3.6/dist-packages/numpy/core/numeric.py", line 2524, in isclose
    return within_tol(x, y, atol, rtol)
  File "/usr/local/lib/python3.6/dist-packages/numpy/core/numeric.py", line 2509, in within_tol
    with errstate(invalid='ignore'):
  File "/usr/local/lib/python3.6/dist-packages/numpy/core/numeric.py", line 3059, in __enter__
    self.oldstate = seterr(**self.kwargs)
  File "/usr/local/lib/python3.6/dist-packages/numpy/core/numeric.py", line 2751, in seterr
    (_errdict[invalid] << SHIFT_INVALID))
  File "/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 229, in handler1
    raise Exception("first calculation took too long, aborting model-test pair")
Exception: first calculation took too long, aborting model-test pair
Command exited with non-zero status 1

{"usertime":2834.40,"memmax":77784,"memavg":0}