[BUG] PT: rcut cannot be int #3974
Description
Bug summary
When rcut is an int, an error throws: Expected a value of type 'float' for argument 'rcut' but instead found type 'int'.
DeePMD-kit Version
Backend and its version
PyTorch 2.1.2.post300
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
File "/home/jz748/codes/deepmd-kit/deepmd/pt/utils/neighbor_stat.py", line 137, in __init__
self.op = torch.jit.script(op)
File "/home/jz748/anaconda3/lib/python3.10/site-packages/torch/jit/_script.py", line 1324, in script
return torch.jit._recursive.create_script_module(
File "/home/jz748/anaconda3/lib/python3.10/site-packages/torch/jit/_recursive.py", line 559, in create_script_module
return create_script_module_impl(nn_module, concrete_type, stubs_fn)
File "/home/jz748/anaconda3/lib/python3.10/site-packages/torch/jit/_recursive.py", line 636, in create_script_module_impl
create_methods_and_properties_from_stubs(
File "/home/jz748/anaconda3/lib/python3.10/site-packages/torch/jit/_recursive.py", line 469, in create_methods_and_properties_from_stubs
concrete_type._create_methods_and_properties(
RuntimeError:
extend_coord_with_ghosts(Tensor coord, Tensor atype, Tensor? cell, float rcut, Tensor? cell_cpu=None) -> ((Tensor, Tensor, Tensor)):
Expected a value of type 'float' for argument 'rcut' but instead found type 'int'.
:
File "/home/jz748/codes/deepmd-kit/deepmd/pt/utils/neighbor_stat.py", line 79
nloc = coord.shape[1]
coord = coord.view(nframes, nloc * 3)
extend_coord, extend_atype, _ = extend_coord_with_ghosts(
~~~~~~~~~~~~~~~~~~~~~~~~ <--- HERE
coord, atype, cell, self.rcut
)
Steps to Reproduce
cd examples/water/se_e2_aIn input.json, change "rcut": 6.00 to "rcut": 6.
dp --pt train input.jsonFurther Information, Files, and Links
No response