/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)
/work2/08773/bwaters/stampede2/bwaters/job-6af7234e-ff8d-4d14-b211-b20652fa9871-007-191e9cd7-38b2-451f-b850-17cdcdb23ddb/VC_303890932454_004-and-MO_087820130586_000-1658805348/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]
/work2/08773/bwaters/stampede2/bwaters/job-6af7234e-ff8d-4d14-b211-b20652fa9871-007-191e9cd7-38b2-451f-b850-17cdcdb23ddb/VC_303890932454_004-and-MO_087820130586_000-1658805348/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]
/work2/08773/bwaters/stampede2/bwaters/job-6af7234e-ff8d-4d14-b211-b20652fa9871-007-191e9cd7-38b2-451f-b850-17cdcdb23ddb/VC_303890932454_004-and-MO_087820130586_000-1658805348/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]
/work2/08773/bwaters/stampede2/bwaters/job-6af7234e-ff8d-4d14-b211-b20652fa9871-007-191e9cd7-38b2-451f-b850-17cdcdb23ddb/VC_303890932454_004-and-MO_087820130586_000-1658805348/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]
/work2/08773/bwaters/stampede2/bwaters/job-6af7234e-ff8d-4d14-b211-b20652fa9871-007-191e9cd7-38b2-451f-b850-17cdcdb23ddb/VC_303890932454_004-and-MO_087820130586_000-1658805348/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":34.11,"usertime":38.94,"systime":19.29,"memmax":99816,"memavg":0}