/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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-2f058bf8-5daf-41e0-91eb-745f7659f05c-007-00da232c-c499-4931-8d91-58c3c8c0725b/VC_303890932454_004-and-MO_072444764353_001-1657579613/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":628.05,"usertime":630.77,"systime":20.70,"memmax":116956,"memavg":0}