unit #518
Comments
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Could you share the output of |
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@faranak1991 This could be an issue with pint -> openff.units. Which part of the notebook are you getting this error? or what is the part of the code that is producing this error? |
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conda list : Name Version Build Channelalabaster 0.7.13 pyhd8ed1ab_0 conda-forge |
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The error came from this part: results, exception = request.results(synchronous=True, polling_interval=30) |
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This is a problem: I recommend creating a new conda environment and installing Evaluator into it they're designed to be rapidly deployable and disposable and it's easier to create a new one than fix one. |
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@mattwthompson thanks for the recommendation. I just create a new environment and all errors are eliminated. But no properties have been estimated like following. ( also there isn't any error !!) print(len(results.queued_properties)) |
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Have a look at those attributes of |
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I've checked all of the attributes, but actually there is nothing |
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Can you check if the folder |
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@jeff231li it includes SimulationLayer folder which is empty. |
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Hmm, there could be an error message printed but I suspect the files are deleted. Try setting the option from openff.evaluator.server import EvaluatorServer
evaluator_server = EvaluatorServer(calculation_backend=calculation_backend, delete_working_files=False)
evaluator_server.start(asynchronous=True) |
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@jeff231li yes I used it before, which I got nothing |
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@faranak1991 Do you mean no files are generated in |
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I faintly remember creating a yaml file for troubles with dask, https://docs.openforcefield.org/projects/evaluator/en/latest/backends/daskbackends.html#configuration, just throwing this out in case this file is missing. |
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I am using Jupyter Notebook. While running, I noticed that some files were being created in the "working-data/SimulationLayer" directory, but they subsequently disappeared (even with set the delete_working_files to False) |
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@faranak1991 Try running this Python script on the terminal instead and make sure you put the python tutorial02.py | tee console_output.log |
I'm trying to repeat tutorial02, but I'm facing an issue when trying to obtain the estimated properties. The error message "AttributeError: 'float' object has no attribute 'unit'" is came up.
I attempted to assign values as Quantity objects with the correct units, but the problem persists. If you have any suggestions or recommendations, I would greatly appreciate your assistance.
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