/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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-7d595531-2627-40a3-b6b9-7ebba334b940-007-6a530e61-4358-45b7-aade-d4cd131d7642/VC_303890932454_004-and-MO_667792548433_000-1659734894/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":46.42,"usertime":49.48,"systime":20.08,"memmax":80140,"memavg":0}