Cannot get Zr90 to be found in the .xml file

I am attempting to to do the MGXS portion of the notebooks from the website. It will correctly run the individual notebook cells with the Zr90 codes in them but when I run the entire simulation it gives me this error code.

RuntimeError Traceback (most recent call last) Cell In[30], line 1 ----> 1 openmc.run()

File ~/miniconda3/envs/openmc-env/lib/python3.10/site-packages/openmc/executor.py:314, in run(particles, threads, geometry_debug, restart_file, tracks, output, cwd, openmc_exec, mpi_args, event_based, path_input)
261 “”“Run an OpenMC simulation.
262
263 Parameters
(…)
305
306 “””
308 args = _process_CLI_arguments(
309 volume=False, geometry_debug=geometry_debug, particles=particles,
310 restart_file=restart_file, threads=threads, tracks=tracks,
311 event_based=event_based, openmc_exec=openmc_exec, mpi_args=mpi_args,
312 path_input=path_input)
→ 314 _run(args, output, cwd)

File ~/miniconda3/envs/openmc-env/lib/python3.10/site-packages/openmc/executor.py:125, in _run(args, output, cwd)
122 error_msg = ‘OpenMC aborted unexpectedly.’ 123 error_msg = ’ '.join(error_msg.split())
→ 125 raise RuntimeError(error_msg)

RuntimeError: Could not find nuclide Zr90 in the nuclear data library. Abort(-1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0.

Has anyone else ran into this issue? I have looked at the .xml file itself and can see that it also doesn’t have the Zr90 in it or any Zr. Is there a fix or a way to add Zr into the .xml file?

Hi JK1996,

Welcome to the community. I think your cross section is broken. Not sure which version of cross section data you are using. Might be worth it to update or do a clean download of the cross section data again? Perhaps endf-viii Official Data Libraries | OpenMC.


I have provided screen shots of the files. I download then from the openmc website. I don’t know what next to do other than asking Chatgpt to help me code all the other materials I need for it to work properly.

I am sorry about the trouble. Are you trying to generate multi group cross section?or you are just using multi group cross section?

Looks like you only have H, O and U in your cross section data. I would recommend that you download ENDF/B-VIII.0 from this page. Extract the data and enter to that directory (it should be named endf-viii.0-hdf5 ).

Then you copy the path of that cross_sections.xml file. Now you need to set the environment variable for that cross section. You can either set an environment variable OPENMC_CROSS_SECTIONS in your .bashrc or use the os module in python.

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