Failed import of old calculation results from remote computer #6299
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ValkScripter
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Hi @ValkScripter, thanks for the question. The communication platform is moved to https://aiida.discourse.group/ see https://github.com/orgs/aiidateam/discussions/6113. |
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Greetings developers,
I have dived into Aiida just a few days ago.
I have learned and tested successfully the submission of CalcJobs on remote computers to run QuantumEspresso calculations.
So I wanted to make Aiida 'read' previous results that I had been running before. Here comes my problem.
If I understood correctly I should pass to the
CalcJob
(in my case through the quantumespresso.pw builder) the input named remote_folder which is of the typeRemoteData
so that the job will not actually run the job but instead rewrite the inputs - that I should give again to the job - and retrieve the results from this remote_folder.So I created this remote_folder with the following command line:
with the
builder
created from a code, itself belonging to a remote computer (withcore.ssh
transport andcore.pbspro
scheduler):I checked that the remote_folder was working correctly with functional SSH connection in order for the
CalcJob
to read from it, by doing a :Results
After giving to the builder all the inputs and metadata that it needed (including input_filename and output_filename),
I launched the job (with either a run or a submit) and ultimately got an error with the following traceback:
I investigated and found that the _perform_import function in
aiida/engine/processes/calcjobs/calcjob.py
passes always - with thewith
statement - acore.local
transport to the retrieve_calculation function in fileaiida/engine/daemon/execmanager.py
, instead of acore.ssh
transport, which I assume would be needed in my case.I believe this is why the command
transport.chdir(workdir)
fails and that the given remote directory path is said to be not valid.Below is the corresponding code part:
aiida-core/src/aiida/engine/processes/calcjobs/calcjob.py
Lines 631 to 639 in cf091e8
1/ Am I right or am I missing something?
2/ In the former case, what should I do to circumvent this problem?
3/ In the latter case, what would be the missing piece?
Thank you for your time and attention.
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