Failing to create model for LAMMPS usage

[frostedoyster]

First of all, thanks for all the work that went into the models and the library! I find this to be one of the best models out there.
With the latest version (installed with pip install sevenn), I get this error when trying to export a model for LAMMPS inference:

$ sevenn_get_model 7net-0
Traceback (most recent call last):
  File ".../bin/sevenn_get_model", line 8, in <module>
    sys.exit(main())
             ^^^^^^
  File ".../site-packages/sevenn/main/sevenn_get_model.py", line 59, in main
    run(args)
  File ".../site-packages/sevenn/main/sevenn_get_model.py", line 42, in run
    deploy(stct_dct, config, output_prefix)
  File ".../site-packages/sevenn/scripts/deploy.py", line 27, in deploy
    model.prepand_module('edge_preprocess', EdgePreprocess(True))
  File ".../site-packages/sevenn/nn/sequential.py", line 83, in prepand_module
    self._modules.move_to_end(key, last=False)  # type: ignore
    ^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'dict' object has no attribute 'move_to_end'

Let me know how if I can help fix the issue

[YutackPark]

Thanks for reaching out. Have you checked torch version? We have a bug in latest torch versions (>=2.5.0), when using LAMMPS (therefore torchscript) 2024년 12월 21일 (토) 오후 4:01, Filippo Bigi ***@***.***>님이 작성:

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First of all, thanks for all the work that went into the models and the library! I find this to be one of the best models out there. With the latest version (installed with pip install sevenn), I get this error when trying to export a model for LAMMPS inference: $ sevenn_get_model 7net-0 Traceback (most recent call last): File ".../bin/sevenn_get_model", line 8, in <module> sys.exit(main()) ^^^^^^ File ".../site-packages/sevenn/main/sevenn_get_model.py", line 59, in main run(args) File ".../site-packages/sevenn/main/sevenn_get_model.py", line 42, in run deploy(stct_dct, config, output_prefix) File ".../site-packages/sevenn/scripts/deploy.py", line 27, in deploy model.prepand_module('edge_preprocess', EdgePreprocess(True)) File ".../site-packages/sevenn/nn/sequential.py", line 83, in prepand_module self._modules.move_to_end(key, last=False) # type: ignore ^^^^^^^^^^^^^^^^^^^^^^^^^ AttributeError: 'dict' object has no attribute 'move_to_end' Let me know how if I can help fix the issue — Reply to this email directly, view it on GitHub <#150>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/A2RQY2YENUR2MMMSUFPRZJ32GUG5ZAVCNFSM6AAAAABUALJE2GVHI2DSMVQWIX3LMV43ASLTON2WKOZSG42TGOBRGM2DMMQ> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[frostedoyster]

Thank you! Indeed it works now with torch<2.5.0

[thangckt]

hi @YutackPark
seemly that many people get this
can you consider put 'torch<2.5.0' in .toml file?