Bug summary
Setting batch_size to mixed:N throws errors as shown below.
DeePMD-kit Version
v3.0.0a0-28-ged831c88
TensorFlow Version
PT v2.2.0+cu121-g8ac9b20d4b0
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
[2024-03-17 00:59:58,348] DEEPMD ERROR Unsupported batch size type
Traceback (most recent call last):
File "/home/jz748/anaconda3/bin/dp", line 8, in <module>
sys.exit(main())
File "/home/jz748/codes/deepmd-kit/deepmd/main.py", line 807, in main
deepmd_main(args)
File "/home/jz748/anaconda3/lib/python3.10/site-packages/torch/distributed/elastic/multiprocessing/errors/__init__.py", line 347, in wrapper
return f(*args, **kwargs)
File "/home/jz748/codes/deepmd-kit/deepmd/pt/entrypoints/main.py", line 306, in main
train(FLAGS)
File "/home/jz748/codes/deepmd-kit/deepmd/pt/entrypoints/main.py", line 270, in train
trainer = get_trainer(
File "/home/jz748/codes/deepmd-kit/deepmd/pt/entrypoints/main.py", line 166, in get_trainer
) = prepare_trainer_input_single(
File "/home/jz748/codes/deepmd-kit/deepmd/pt/entrypoints/main.py", line 134, in prepare_trainer_input_single
DpLoaderSet(
File "/home/jz748/codes/deepmd-kit/deepmd/pt/utils/dataloader.py", line 123, in __init__
self.batch_size = rule // system._natoms
TypeError: unsupported operand type(s) for //: 'NoneType' and 'int'
Steps to Reproduce
cd examples/water/se_atten
Do the following modification:
diff --git a/examples/water/se_atten/input_torch.json b/examples/water/se_atten/input_torch.json
index 7e9cf06f..501b5a77 100644
--- a/examples/water/se_atten/input_torch.json
+++ b/examples/water/se_atten/input_torch.json
@@ -75,7 +75,7 @@
"systems": [
"../data/data_3"
],
- "batch_size": 1,
+ "batch_size": "mixed:2",
"numb_btch": 3,
"_comment": "that's all"
},
Then run
dp --pt train input_torch.json
Further Information, Files, and Links
Need to update documentation if it cannot be resolved before the stable release.
https://docs.deepmodeling.com/projects/deepmd/en/latest/train/train-input.html
Bug summary
Setting
batch_sizetomixed:Nthrows errors as shown below.DeePMD-kit Version
v3.0.0a0-28-ged831c88
TensorFlow Version
PT v2.2.0+cu121-g8ac9b20d4b0
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
Steps to Reproduce
cd examples/water/se_attenDo the following modification:
Then run
Further Information, Files, and Links
Need to update documentation if it cannot be resolved before the stable release.
https://docs.deepmodeling.com/projects/deepmd/en/latest/train/train-input.html