Traceback (most recent call last):
  File "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 275, in <module>
    indices, energies, surfaceEnergyDict, calcTime, surfaceVectorDict, surfaceEnergyUnrelaxed, surfaceP0, surfaceP1 = sweepSurfaces(
  File "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 66, in sweepSurfaces
    E_unrelaxed, E_relaxed, surf_lattice_vect, p0, p1 = getSurfaceEnergy(
  File "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 127, in getSurfaceEnergy
    e_unrelaxed, e_relaxed, pos_unrelaxed, pos_relaxed = surface_energy(surf)
  File "/work2/08773/bwaters/stampede2/bwaters/job-912bcfed-5d61-40c8-a628-fb6831004517-007-c159e1b6-ab3b-421c-9d67-b1a3a0a81926/TE_692192937218_004-and-MO_122703700223_003-1688067009/staged_job_files/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/surface.py", line 211, in surface_energy
    dyn.run(fmax=accuracy)
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 269, in run
    return Dynamics.run(self)
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 156, in run
    for converged in Dynamics.irun(self):
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 143, in irun
    self.log()
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 283, in log
    forces = self.atoms.get_forces()
  File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces
    forces = self._calc.get_forces(self)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces
    return self.get_property('forces', atoms)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, in get_property
    self.calculate(atoms, [name], system_changes)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimmodel.py", line 265, in calculate
    self.kim_model.compute(self.compute_args, self.release_GIL)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 32, in myfunc
    return check_call(func, *args, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 24, in check_call
    return f(*args, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 155, in compute
    return self.kim_model.compute(compute_args_wrapped.compute_args, release_GIL)
  File "../../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

{"realtime":3611.73,"usertime":3605.02,"systime":39.65,"memmax":145908,"memavg":0}