Ask for help ! I got an error when dpgen init bulk

[RO-CR]

Hello, I met an error. The following is the output page in the run. I want to ask how to solve this problem. Thank you very much for your help.

error.log
/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/paramiko/transport.py:219: CryptographyDeprecationWarning: Blowfish has been deprecated
"class": algorithms.Blowfish,
/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/gromacs/init.py:286: GromacsImportWarning: Some Gromacs commands were NOT found; maybe source GMXRC first? The following are missing:
['release']

warnings.warn("Some Gromacs commands were NOT found; "
Traceback (most recent call last):
File "/home/scu401/lxx/dpgen-0.10.6/bin/dpgen", line 10, in
sys.exit(main())
File "/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/dpgen/main.py", line 185, in main
args.func(args)
File "/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/dpgen/generator/run.py", line 3642, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/dpgen/generator/run.py", line 3604, in run_iter
make_train (ii, jdata, mdata)
File "/home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/dpgen/generator/run.py", line 211, in make_train
numb_models = jdata['numb_models']
KeyError: 'numb_models'

out.log
Version: 0.10.6
Date: Jul-11-2022
Path: /home/scu401/lxx/dpgen-0.10.6/lib/python3.8/site-packages/dpgen

Dependency

 numpy     1.22.3   
dpdata      0.2.7   

pymatgen unknown version or path
monty 2022.4.26
ase 3.22.1
paramiko 2.8.1
custodian 2022.5.26

Here are my input files

param.json

{
"stages" : [1,2,3,4],
"super_cell": [1, 1, 1],
"cell_type": "hcp",
"form_poscar": true,
"form_poscar_path":"/home/scu401/lxx/inputfile/bn2-23-5×3×2/POSCAR",
"elements": ["N","B"],
"potcars": ["/home/scu401/lxx/inputfile/bn2-23-5×3×2/POTCAR_N","/home/scu401/lxx/inputfile/bn2-23-5×3×2/POTCAR_B"],
"relax_incar": "/home/scu401/lxx/inputfile/bn2-23-5×3×2/INCAR_rlx",
"md_incar" : "/home/scu401/lxx/inputfile/bn2-23-5×3×2/INCAR_md",
"scale": [0.97, 1.00, 1.03],
"skip_relax": false,
"pert_numb": 20,
"md_nstep" : 25,
"pert_box": 0.03,
"pert_atom": 0.01,
"coll_ndata": 5000,
"type_map" : ["N","B"],
"_comment": "that's all"
}

machine.json
{
"api_version": "1.0",
"train": {
"machine": {
"batch_type": "Shell",
"context_type": "local",
"remote_root": "/home/scu401/lxx/InitData_file/bn2-23-5×3×2",
"local_root": "./"
},
"resources": {
"source_list": ["/home/scu401/lxx/deepmd-kit/bin"],
"group_size": 2,
"number_node": 1,
"cpu_per_node": 1,
"gpu_per_node": 1,
"queue_name": "newgpu",
"kwargs": {}
},
"command": "dp"
},
"model_devi": {
"machine": {
"batch_type": "Shell",
"context_type": "local",
"remote_root": "/home/scu401/lxx/InitData_file/bn2-23-5×3×2",
"local_root": "./"
},
"resources": {
"source_list": [
"/opt/env/lammps-23Jun2022+deepmd_2.2.4+openmpi-4.1.5+intel2019u4+cuda-11.2"
],
"batch_type": "Shell",
"group_size": 160,
"number_node": 1,
"cpu_per_node": 1,
"gpu_per_node": 1,
"queue_name": "newgpu",
"kwargs": {}
},
"command": "lmp-mpi"
},
"fp": {
"machine": {
"batch_type": "pbs",
"context_type": "ssh",
"remote_profile": {
"hostname": "",
"port": ,
"password": "",
"username": ""
},
"remote_root": "/public/home/lxx/init_surface/bn2-23-5×3×2_surf",
"local_root": "./"
},
"resources": {
"batch_type": "pbs",
"group_size": 4,
"source_list": ["/public/software/profile.d/apps_vasp-5.4.4_intel2020_intelmpi2020.sh"],
"number_node": 1,
"cpu_per_node": 16,
"queue_name": "oneNode",
"custom_flags": [
"#PBS -l walltime=100:00:00"
],
"kwargs": {},
"gpu_per_node": 0
},
"command": "mpirun -np 16 vasp_std"
}
}

[njzjz]

Per the error message, it seems that you didn't run dpgen init bulk, but dpgen run.

[RO-CR]

Thanks very much for your reply. I have solved the problem.