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I can't see outputs.relax.structure #676
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ISIF = 3, outputs.relax.structure was output, so this may be due to the fact that the calculation is being done with ISIF = 2. |
What is your launch script for ISIF=3 and ISIF=2? |
Here is the code for ISIF =3; ISIF2 is almost the same, just changing the last part as shown below.
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@Kaikennokuro sorry for the late reply. I wonder if this is still an issue or if this is solved? |
Steps that lead to the error
Regarding the calculation of Exit code of
501
, to set the structure output from the first calculation as the initial structure again, I wrote the code below.structure_clone = node_relax.outputs.relax.structure.clone()
What should happen
The calculation results should start normally. Also, if I do
verdi process show
, I should see the outputs.relax.structure column. The same procedure could be used for calculations on other substances without any problems.What happened instead
Traceback (most recent call last): File "aiida/calc/Y203/code/Eu_doped.py", line 191, in <module> main(code_string, options, num, group_name) File "aiida/calc/X203/code/Eu_doped.py",line 153, in main structure_clone = node_relax.outputs.relax.structure.clone() File "aiida/.venv/lib/python3.10/site-packages/aiida/orm/utils/managers.py",line145,in __geta ttr__ raise NotFxistentAttributeFrror aiida.common.exceptions.NotExistentAttributeError: Node<16996> does not have an output with link label 'relax'
In the results displayed by verdi process pk, the relax strucure was not displayed in the outputs column.
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