/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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-e6ea0a33-1b64-4077-acd7-e558766c740e-007-0dbc8976-28b8-4ad2-a5db-91504c6a51f7/VC_303890932454_004-and-MO_461927113651_000-1658806338/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":82.13,"usertime":79.68,"systime":1.62,"memmax":113468,"memavg":0}