Re: [aiidausers] quantumesporesso.pw submit error

[Sebastiaan Huber]

Hi Witty,

It seems that you maybe forgot to add the `pseudos` input?
What does your submit script look like?

Regards,

Sebastiaan

On 9/5/22 08:09, Witty Yonng wrote:

Hi all,

I have submitted quantumesporesso.pw task successfully, and it ended with ''Excepted'. So I run "verdi process report", and below is the results. What's the matter with it?

*** 13283 [Si]: None
*** Scheduler output: N/A
*** Scheduler errors: N/A
*** 1 LOG MESSAGES:
+-> REPORT at 2022-09-05 13:45:48.779298+08:00
 | [13283|PwCalculation|on_except]: Traceback (most recent call last):
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/plumpy/utils.py", line 127, in __getattr__
 |     return self[attr]
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/plumpy/utils.py", line 84, in __getitem__
 |     return self._dict[key]
 | KeyError: 'pseudos'
 |
 | During handling of the above exception, another exception occurred:
 |
 | Traceback (most recent call last):
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/tasks.py", line 85, in do_upload
 |     calc_info = process.presubmit(folder)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/calcjob.py", line 616, in presubmit
 |     calc_info = self.prepare_for_submission(folder)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida_quantumespresso/calculations/__init__.py", line 170, in prepare_for_submission
 |     if set(kinds) != set(self.inputs.pseudos.keys()):
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/plumpy/utils.py", line 130, in __getattr__
 |     raise AttributeError(errmsg)
 | AttributeError: 'AttributesFrozendict' object has no attribute 'pseudos'
 |
 | The above exception was the direct cause of the following exception:
 |
 | Traceback (most recent call last):
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/plumpy/processes.py", line 1193, in step
 |     next_state = await self._run_task(self._state.execute)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/plumpy/processes.py", line 559, in _run_task
 |     result = await coro(*args, **kwargs)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/tasks.py", line 425, in execute
 |     skip_submit = await self._launch_task(task_upload_job, self.process, transport_queue)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/tasks.py", line 493, in _launch_task
 |     result = await self._task
 |   File "/usr/lib/python3.8/asyncio/tasks.py", line 349, in __wakeup
 |     future.result()
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/utils.py", line 119, in execute_coroutine
 |     result = await coro(future)
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/tasks.py", line 97, in task_upload_job
 |     skip_submit = await exponential_backoff_retry(
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/utils.py", line 187, in exponential_backoff_retry
 |     result = await coro()
 |   File "/home/witty/envs/aiida/lib/python3.8/site-packages/aiida/engine/processes/calcjobs/tasks.py", line 87, in do_upload
 |     raise PreSubmitException('exception occurred in presubmit call') from exception
 | aiida.engine.processes.calcjobs.tasks.PreSubmitException: exception occurred in presubmit call

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AiiDA is supported by the NCCR MARVEL (http://nccr-marvel.ch/), funded by the Swiss National Science Foundation, and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/).
 
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