/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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-d21e4d17-45c0-4ff9-969c-5fe47b94417e-007-fa40b6a1-e390-46b7-ad7a-e5e509d801b4/VC_303890932454_004-and-MO_608695023236_000-1659739202/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":69.18,"usertime":70.41,"systime":20.42,"memmax":103196,"memavg":0}