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m2d run --manual not generating input files #2

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pandabear245 opened this issue Feb 22, 2024 · 1 comment
Open

m2d run --manual not generating input files #2

pandabear245 opened this issue Feb 22, 2024 · 1 comment

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@pandabear245
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Hi, I tried to run the m2d run in manual mode, the output is shown as "Only for generating the input files". However, when I checked the subdirectories, there was not files generated. Please advise. Thanks.
@haidi-ustc
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@pandabear245
Make sure that you use the correct command:

m2d run --manual input.yaml

here you can directly copy the input.yaml from mech2d/example/input folder.
What is more, make sure that you have the POSCAR, INCAR and POTCAR in the current folder

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@haidi-ustc @pandabear245