/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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)
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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]
/work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_303890932454_004-and-MO_072689718616_001-1653081987/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":4457.75,"usertime":4456.39,"systime":22.19,"memmax":171808,"memavg":0}