/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) /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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) /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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) /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-efac61b3-3610-403b-8059-cbc50dce8304-007-6b1b7697-aca0-499f-8a5f-590bc4630a98/VC_303890932454_004-and-MO_477506997611_001-1640582834/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":56.07,"usertime":53.98,"systime":1.77,"memmax":116032,"memavg":0}