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pymatgen unknown version or path
monty 2025.3.3 ../.local/lib/python3.10/site-packages/monty
ase 3.24.0 ../.local/lib/python3.10/site-packages/ase
paramiko 3.5.1 ../.local/lib/python3.10/site-packages/paramiko
custodian 2025.5.12 ../.local/lib/python3.10/site-packages/custodian
Reference
Please cite:
Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E,
DP-GEN: A concurrent learning platform for the generation of reliable deep learning
based potential energy models, Computer Physics Communications, 2020, 107206.
Description
Traceback (most recent call last):
File "../.local/bin/dpgen", line 8, in
sys.exit(main())
File "../.local/lib/python3.10/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "../.local/lib/python3.10/site-packages/dpgen/data/gen.py", line 1463, in gen_init_bulk
out_dir = out_dir_name(jdata)
File "../.local/lib/python3.10/site-packages/dpgen/data/gen.py", line 79, in out_dir_name
elements = jdata["elements"]
KeyError: 'elements'
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Good afternoon for everyone!
After installation of DP-GEN I try to run the default example (https://dp-public.oss-cn-beijing.aliyuncs.com/community/dpgen_example.tar.xz) to check if it works normal.
I go to the ../dpgen_example/run directory and then use
dpgen init_bulk param.json machine.json
It gives me the result:
DeepModeling
Version: 0.13.1
Path: ../.local/lib/python3.10/site-packages/dpgen
Dependency
pymatgen unknown version or path
monty 2025.3.3 ../.local/lib/python3.10/site-packages/monty
ase 3.24.0 ../.local/lib/python3.10/site-packages/ase
paramiko 3.5.1 ../.local/lib/python3.10/site-packages/paramiko
custodian 2025.5.12 ../.local/lib/python3.10/site-packages/custodian
Reference
Please cite:
Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E,
DP-GEN: A concurrent learning platform for the generation of reliable deep learning
based potential energy models, Computer Physics Communications, 2020, 107206.
Description
Traceback (most recent call last):
File "../.local/bin/dpgen", line 8, in
sys.exit(main())
File "../.local/lib/python3.10/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "../.local/lib/python3.10/site-packages/dpgen/data/gen.py", line 1463, in gen_init_bulk
out_dir = out_dir_name(jdata)
File "../.local/lib/python3.10/site-packages/dpgen/data/gen.py", line 79, in out_dir_name
elements = jdata["elements"]
KeyError: 'elements'
I have no idea how to fix this.
Could anyone help me, please?
Thank you in advance
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