/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray.
  a = np.asarray(a)
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  nth[n], np.asscalar(val), yesno[is_continuous]
/scratch.hyperion/kim-jobs/jobs/bwaters/job-f2b8cab2-4d4d-4073-b984-2a195051a1e4-007-fa9bfec7-0aad-4f1d-93ee-210eac4f2f0d/VC_303890932454_004-and-MO_304347095149_000-1658806185/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead
  e.append(np.asscalar(val))

{"realtime":195.96,"usertime":192.33,"systime":1.91,"memmax":109388,"memavg":0}