/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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-a980f734-0840-4d16-9898-184a1c05c6b4-007-1835dfce-84c5-4877-94a8-1d3688611ca9/VC_303890932454_004-and-MO_935641703527_001-1653019531/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":825.47,"usertime":827.31,"systime":21.38,"memmax":120996,"memavg":0}