/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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/bwaters/job-15cda948-c129-4172-a6eb-4e090e0a3c1b-007-86f8a8d9-31b8-47bb-828c-f3e3c351f397/VC_303890932454_004-and-MO_501246546792_000-1659736268/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":13.13,"usertime":9.88,"systime":1.75,"memmax":57536,"memavg":0}