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Error while preprocessing in TBB #34

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wangchengDon opened this issue Apr 5, 2023 · 2 comments
Closed

Error while preprocessing in TBB #34

wangchengDon opened this issue Apr 5, 2023 · 2 comments

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@wangchengDon
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Dear developer, I encountered the following error while executing the second preprocessing.
Found 20 directories to preprocess
Preprocessing No. 1/20...
/Bin/sh:/public/apps/julia-1.54/bin/jula:
Traceback (most recent call last):
File "/public/apps/miniconda3/bin/deeph-preprocess", line 8, in
sys.exit(main())
File "/public/apps/miniconda3/lib/python3.9/site-packages/deeph/scripts/preprocess.py", line 64, in main
assert capture_ output.returncode == 0
AssertionError
my proprcess.ini is as follows
[basic]
raw_dir = /public/wcd/twisted/example/work_dir/dataset/raw
processed_dir = /public/wcd/twisted/example/work_dir/dataset/processed
target = hamiltonian
interface = openmx
multiprocessing = 48
local_coordinate = Ture
get_S = False

[interpreter]
python_interpreter = /public/apps/miniconda3/bin/python3
julia_interpreter = /public/apps/julia-1.5.4/bin/juila
[graph]
radius = 9.0
create_from_DFT = True
After trying to read the source code, I couldn't figure out why capture_ Output.returncode is not 0.Could you help me with this problem?
Thank you for your response.

@mzjb
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mzjb commented Apr 5, 2023

Hi,

To address the problem, I would suggest upgrading DeepH-pack to the latest version and retrying deeph-preprocess.

In your error trace, the code on line 64 of the deeph/scripts/preprocess.py is different from the code from the latest version in the GitHub repository. As a result, I am not even sure where your error occurred.

@wangchengDon
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Thank you very much for your help and response. After upgrading deeph, the problem has been resolved!

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