/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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-35bb128d-b8f6-430c-86b3-988f38b63423-007-a7b90407-a21a-454a-b162-44eb3201251e/VC_303890932454_004-and-MO_410167849923_001-1645046638/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":178.26,"usertime":175.91,"systime":1.43,"memmax":113448,"memavg":0}