/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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-b6e773eb-ef54-41b7-8f38-19396a468253-007-db71240f-6b2c-42b7-92be-577a3e6feca6/VC_303890932454_004-and-MO_280985530673_001-1656608231/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":202.22,"usertime":203.59,"systime":20.97,"memmax":119288,"memavg":0}