/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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)
/work2/08773/bwaters/stampede2/bwaters/job-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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)
/work2/08773/bwaters/stampede2/bwaters/job-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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)
/work2/08773/bwaters/stampede2/bwaters/job-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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)
/work2/08773/bwaters/stampede2/bwaters/job-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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)
/work2/08773/bwaters/stampede2/bwaters/job-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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-40d12fcc-dc87-4394-97c4-c3d399a74a6e-007-aa90b6dd-acc5-43d6-89c7-b93838a67927/VC_303890932454_004-and-MO_751442731010_000-1659737427/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":111.13,"usertime":109.66,"systime":22.01,"memmax":92048,"memavg":0}