/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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-8f0892fd-de0a-4042-bca8-cc890e0e7f1e-007-2e8171bc-34e3-488c-8499-63e96621c6c3/VC_303890932454_004-and-MO_354152387712_001-1657322434/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":99.62,"usertime":103.27,"systime":20.21,"memmax":124928,"memavg":0}