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Description
I tried to run the water example with hybrid model as descriptor using the 2.0 release of deepmd:
DEEPMD INFO installed to: /tmp/pip-req-build-m0vk2rxi/_skbuild/linux-x86_64-3.9/cmake-install
DEEPMD INFO source : v2.0.0
DEEPMD INFO source brach: HEAD
DEEPMD INFO source commit: 1a25414
DEEPMD INFO source commit at: 2021-08-28 08:15:38 +0800
but I end up with the following error:
DEEPMD INFO ---Summary of DataSystem: training -----------------------------------------------
DEEPMD INFO found 3 system(s):
DEEPMD INFO system natoms bch_sz n_bch prob pbc
DEEPMD INFO ../data/data_0/ 192 1 80 0.250 T
DEEPMD INFO ../data/data_1/ 192 1 160 0.500 T
DEEPMD INFO ../data/data_2/ 192 1 80 0.250 T
DEEPMD INFO --------------------------------------------------------------------------------------
DEEPMD INFO ---Summary of DataSystem: validation -----------------------------------------------
DEEPMD INFO found 1 system(s):
DEEPMD INFO system natoms bch_sz n_bch prob pbc
DEEPMD INFO ../data/data_3 192 1 80 1.000 T
DEEPMD INFO --------------------------------------------------------------------------------------
DEEPMD INFO training without frame parameter
OMP: Info #254: KMP_AFFINITY: pid 23042 tid 23042 thread 1 bound to OS proc set 1
Traceback (most recent call last):
File "/home/deepmd-kit/bin/dp", line 10, in
sys.exit(main())
File "/home/deepmd-kit/lib/python3.9/site-packages/deepmd/entrypoints/main.py", line 437, in main
train_dp(**dict_args)
File "/home/deepmd-kit/lib/python3.9/site-packages/deepmd/entrypoints/train.py", line 102, in train
_do_work(jdata, run_opt, is_compress)
File "/home/deepmd-kit/lib/python3.9/site-packages/deepmd/entrypoints/train.py", line 158, in _do_work
model.build(train_data, stop_batch)
File "/home/deepmd-kit/lib/python3.9/site-packages/deepmd/train/trainer.py", line 318, in build:
= NeighborStat(self.ntypes, self.descrpt_param['rcut'])
KeyError: 'rcut'