Vasp jobs error when using atomate2 and fireworks

I am using atomate2 and fireworks to carry out a series of VASP SCP calculations. For some jobs, it shows the error:
Traceback (most recent call last):
File “/u/software/miniconda3_test/envs/autoplextest/lib/python3.10/site-packages/fireworks/core/”, line 261, in run
m_action = t.run_task(my_spec)
File “/u/software/miniconda3_test/envs/autoplextest/lib/python3.10/site-packages/jobflow/managers/”, line 175, in run_task
response =
File “/u/software/miniconda3_test/envs/autoplextest/lib/python3.10/site-packages/jobflow/core/”, line 583, in run
response = function(*self.function_args, **self.function_kwargs)
File “/u/software/miniconda3_test/envs/autoplextest/lib/python3.10/site-packages/atomate2/vasp/jobs/”, line 234, in make
stop_children = should_stop_children(task_doc, **self.stop_children_kwargs)
File “/u/software/miniconda3_test/envs/autoplextest/lib/python3.10/site-packages/atomate2/vasp/”, line 199, in should_stop_children
raise RuntimeError(
RuntimeError: Job was not successful (perhaps your job did not converge within the limit of electronic/ionic iterations)!
2024-02-04 16:24:01,198 INFO Rocket finished

But I am sure the calculation has converged.

N E dE d eps ncg rms rms(c)
DAV: 1 0.117211003005E+04 0.11721E+04 -0.63653E+04 20928 0.136E+03
DAV: 2 0.435270681828E+03 -0.73684E+03 -0.69610E+03 25248 0.311E+02
DAV: 3 0.376870763804E+03 -0.58400E+02 -0.57644E+02 34880 0.764E+01
DAV: 4 0.373880971719E+03 -0.29898E+01 -0.29848E+01 28672 0.147E+01
DAV: 5 0.373840333485E+03 -0.40638E-01 -0.40636E-01 30880 0.212E+00 0.547E+02
RMM: 6 0.397606040384E+03 0.23766E+02 -0.56715E+01 23954 0.196E+01 0.125E+02
RMM: 7 0.359223600835E+03 -0.38382E+02 -0.32706E+01 26039 0.176E+01 0.803E+01
RMM: 8 0.402575548427E+03 0.43352E+02 -0.98782E+00 24793 0.944E+00 0.464E+01
RMM: 9 0.408117427608E+03 0.55419E+01 -0.38657E+00 26918 0.516E+00 0.151E+01
RMM: 10 0.408135665229E+03 0.18238E-01 -0.83017E-01 32718 0.273E+00 0.112E+01
RMM: 11 0.408453841519E+03 0.31818E+00 -0.37965E-01 33181 0.204E+00 0.899E+00
RMM: 12 0.408478485571E+03 0.24644E-01 -0.27854E-01 32021 0.159E+00 0.415E+00
RMM: 13 0.408584488502E+03 0.10600E+00 -0.13519E-01 32522 0.118E+00 0.225E+00
RMM: 14 0.408624083433E+03 0.39595E-01 -0.47916E-02 33806 0.778E-01 0.549E-01
RMM: 15 0.408623621393E+03 -0.46204E-03 -0.20761E-02 38846 0.432E-01 0.428E-01
RMM: 16 0.408623861042E+03 0.23965E-03 -0.10105E-02 39940 0.275E-01 0.190E-01
RMM: 17 0.408623170773E+03 -0.69027E-03 -0.57856E-03 40220 0.211E-01 0.104E-01
RMM: 18 0.408622851987E+03 -0.31879E-03 -0.33876E-03 40542 0.158E-01 0.127E-01
RMM: 19 0.408622659669E+03 -0.19232E-03 -0.20064E-03 40918 0.122E-01 0.576E-02
RMM: 20 0.408622530636E+03 -0.12903E-03 -0.12786E-03 40676 0.952E-02 0.530E-02
RMM: 21 0.408622455001E+03 -0.75635E-04 -0.76134E-04 40236 0.735E-02 0.319E-02
RMM: 22 0.408622408104E+03 -0.46897E-04 -0.48294E-04 39423 0.564E-02 0.113E-02
RMM: 23 0.408622380477E+03 -0.27627E-04 -0.29487E-04 39125 0.443E-02 0.594E-03
RMM: 24 0.408622364377E+03 -0.16100E-04 -0.18827E-04 38867 0.346E-02 0.252E-03
RMM: 25 0.408622350785E+03 -0.13592E-04 -0.11853E-04 38338 0.274E-02 0.463E-03
RMM: 26 0.408622344436E+03 -0.63488E-05 -0.75350E-05 37586 0.213E-02 0.239E-03
RMM: 27 0.408622341156E+03 -0.32801E-05 -0.47603E-05 36622 0.171E-02 0.204E-03
RMM: 28 0.408622336589E+03 -0.45670E-05 -0.31701E-05 35653 0.138E-02 0.351E-03
RMM: 29 0.408622335289E+03 -0.12997E-05 -0.19909E-05 34009 0.109E-02 0.220E-03
RMM: 30 0.408622334625E+03 -0.66409E-06 -0.13136E-05 33322 0.890E-03 0.795E-04
RMM: 31 0.408622333455E+03 -0.11701E-05 -0.83787E-06 31604 0.735E-03 0.227E-03
RMM: 32 0.408622333587E+03 0.13148E-06 -0.54904E-06 30496 0.625E-03
1 F= 0.40862233E+03 E0= 0.40862915E+03 d E =-.136326E-01

Could anyone help with this?

Hey @Yuanbin, can you provide more information about the type of job you were running, for example the script you used to create and launch the workflow? The stdout and OUTCAR from VASP are als helpful for debugging.

The RuntimeError prints a generic message about convergence. If you know the SCF converged, then you can ignore it.