/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-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_303890932454_004-and-MO_000553624872_000-1658805483/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-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_303890932454_004-and-MO_000553624872_000-1658805483/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-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_303890932454_004-and-MO_000553624872_000-1658805483/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-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_303890932454_004-and-MO_000553624872_000-1658805483/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-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_303890932454_004-and-MO_000553624872_000-1658805483/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":63.99,"usertime":68.81,"systime":19.25,"memmax":96928,"memavg":0}