deepmodeling / dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
https://docs.deepmodeling.com/projects/dpgen/
GNU Lesser General Public License v3.0
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A mistake when I fitted different systems #401

Closed hsh971223 closed 3 years ago

hsh971223 commented 3 years ago

Summary

DPGEN Version and Platform

Job submission and computing cluster configuration

Expected Behavior

Actual Behavior

Steps to Reproduce

Further Information, Files, and Links

File "/data/apps/miniconda3/envs/deepmd/lib/python3.7/site-packages/tensorflow/python/client/session.py", line 1167, in _run (np_val.shape, subfeed_t.name, str(subfeed_t.get_shape()))) ValueError: Cannot feed value of shape (4,) for Tensor 'd_sea_t_natoms:0', which has shape '(5,)' WARNING:tensorflow:From /data/apps/miniconda3/envs/deepmd/lib/python3.7/site-packages/tensorflow/python/compat/v2_compat.py:96: disable_resource_variables (from tensorflow.python.ops.variable_scope) is deprecated and will be removed in a future version. Instructions for updating: non-resource variables are not supported in the long term Traceback (most recent call last): File "/data/apps/miniconda3/envs/deepmd/bin/dp", line 10, in sys.exit(main()) File "/data/apps/miniconda3/envs/deepmd/lib/python3.7/site-packages/deepmd/main.py", line 75, in main freeze(args) File "/data/apps/miniconda3/envs/deepmd/lib/python3.7/site-packages/deepmd/freeze.py", line 89, in freeze freeze_graph(args.folder, args.output, args.nodes) File "/data/apps/miniconda3/envs/deepmd/lib/python3.7/site-packages/deepmd/freeze.py", line 41, in freeze_graph input_checkpoint = checkpoint.model_checkpoint_path AttributeError: 'NoneType' object has no attribute 'model_checkpoint_path'

AnguseZhang commented 3 years ago

Same with #402