/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-51230327-27dd-4afd-9955-8530a2da0c1f-007-3d7e9d68-34ee-4d60-aa36-015313b48578/VC_303890932454_004-and-MO_105449194206_001-1657322978/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-51230327-27dd-4afd-9955-8530a2da0c1f-007-3d7e9d68-34ee-4d60-aa36-015313b48578/VC_303890932454_004-and-MO_105449194206_001-1657322978/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-51230327-27dd-4afd-9955-8530a2da0c1f-007-3d7e9d68-34ee-4d60-aa36-015313b48578/VC_303890932454_004-and-MO_105449194206_001-1657322978/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-51230327-27dd-4afd-9955-8530a2da0c1f-007-3d7e9d68-34ee-4d60-aa36-015313b48578/VC_303890932454_004-and-MO_105449194206_001-1657322978/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-51230327-27dd-4afd-9955-8530a2da0c1f-007-3d7e9d68-34ee-4d60-aa36-015313b48578/VC_303890932454_004-and-MO_105449194206_001-1657322978/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":42.70,"usertime":47.01,"systime":19.79,"memmax":101556,"memavg":0}