[BUG] "ERROR: Unrecognized pair style 'deepmd' " while using dpgen in the model_devi stage

Bug summary

I installed deepmd-kit 2.2.7 with conda:" conda create -n deepmd deepmd-kit==cpu libdeepmd==cpu lammps -c https://conda.deepmodeling.com -c defaults", (somehow the dpgen and dpdata were also installed into the deepmd enviroment). While i was using dpgen, in the model_devi stage, all jobs terminated again and again with "ERROR: Unrecognized pair style 'deepmd'" in lammps output file. While i was submitting the dpgen job with "dpgen run para.jason machine.jason", the deepmd enviroment was already activated, and the "echo $LAMMPS_PLUGIN_PATH" gave "/home1/zhangzt/anaconda3/envs/deepmd/lib/deepmd_lmp", so i don't have any other ideas what caused the error.

DeePMD-kit Version

DeePMD-kit v2.2.7

TensorFlow Version

the train.log file gave"WARNING:tensorflow:From /home1/zhangzt/anaconda3/envs/deepmd/lib/python3.10/site-packages/tensorflow/python/compat/v2_compat.py:107: disable_resource_variables (from tensorflow.python.ops.variable_scope) is deprecated and will be removed in a future version."

How did you download the software?

conda

Input Files, Running Commands, Error Log, etc.

para.jason: { "type_map": [ "C" ], "mass_map": [ 12 ], "init_data_prefix": "/home1/zhangzt/mlPotential_DP/dpgen_test_new/init/", "init_data_sys": [ "density_varying_init/1.0_5000K/deepmd_data", "density_varying_init/1.6_5000K/deepmd_data", "density_varying_init/2.2_5000K/deepmd_data", "density_varying_init/2.8_5000K/deepmd_data", "density_varying_init/3.0_5000K/deepmd_data", "density_varying_init/3.0_9000K/deepmd_data", "density_varying_init/3.2_5000K/deepmd_data", "density_varying_init/3.2_9000K/deepmd_data", "density_varying_init/3.3_5000K/deepmd_data", "density_varying_init/3.4_5000K/deepmd_data", "density_varying_init/3.4_9000K/deepmd_data", "density_varying_init/3.5_5000K/deepmd_data", "density_varying_init/3.6_5000K/deepmd_data", "density_varying_init/3.6_9000K/deepmd_data" ], "sys_configs": [ ["../mdconfigs/dens_1.0/00/POSCAR"], ["../mdconfigs/dens_1.2/00/POSCAR"], ["../mdconfigs/dens_1.4/00/POSCAR"], ["../mdconfigs/dens_1.6/00/POSCAR"], ["../mdconfigs/dens_1.8/00/POSCAR"], ["../mdconfigs/dens_2.0/00/POSCAR"], ["../mdconfigs/dens_2.2/00/POSCAR"], ["../mdconfigs/dens_2.4/00/POSCAR"], ["../mdconfigs/dens_2.6/00/POSCAR"], ["../mdconfigs/dens_2.8/00/POSCAR"], ["../mdconfigs/dens_2.9/00/POSCAR"], ["../mdconfigs/dens_3.0/00/POSCAR"], ["../mdconfigs/dens_3.1/00/POSCAR"], ["../mdconfigs/dens_3.2/00/POSCAR"], ["../mdconfigs/dens_3.3/00/POSCAR"], ["../mdconfigs/dens_3.4/00/POSCAR"], ["../mdconfigs/dens_3.5/00/POSCAR"], ["../mdconfigs/dens_3.6/00/POSCAR"], ["../mdconfigs/dens_4.0/00/POSCAR"], ["../mdconfigs/dens_4.4/00/POSCAR"], ["../mdconfigs/dens_4.8/00*/POSCAR"], ["../mdconfigs/stru_mono/000/POSCAR"], ["../mdconfigs/stru_surf/000/POSCAR"], ["../mdconfigs/001/POSCAR"] ], "numb_models": 4, "default_training_param": { "model": { "_comment": " model parameters", "type_map": [ "C" ], "descriptor": { "type": "se_e3", "sel": [ 150 ], "rcut_smth": 0.5, "rcut": 5.0, "neuron": [ 20, 40, 80 ], "resnet_dt": false, "seed": 17 }, "fitting_net": { "type": "ener", "neuron": [ 60, 60, 60 ], "resnet_dt": false, "seed": 9 } }, "learning_rate": { "type": "exp", "start_lr": 0.001, "stop_lr": 1e-08, "decay_steps": 1000 }, "loss": { "type": "ener", "start_pref_e": 0.02, "limit_pref_e": 2, "start_pref_f": 1000, "limit_pref_f": 1, "start_pref_v": 0, "limit_pref_v": 0 }, "training": { "numb_steps": 10000, "seed": 11, "disp_file": "lcurve.out", "disp_freq": 1, "save_freq": 40, "save_ckpt": "model.ckpt", "disp_training": true, "time_training": true, "profiling": false, "profiling_file": "timeline.json" } }, "fp_task_max": 3000, "fp_task_min": 5, "model_devi_engine": "lammps", "model_devi_jobs": [ { "sys_idx": [ 0,1,2,3,4,5,6,7,8, 9,10,11,12,13,14,15,16, 17,18,19,20,21,22 ], "temps": [ 300, 1000, 5000, 9000 ], "press": [ 1, 50000, 500000, 5000000 ], "trj_freq": 100, "nsteps": 10000, "ensemble": "npt" } ], "model_devi_dt": 0.002, "model_devi_skip": 0, "model_devi_f_trust_lo": 0.01, "model_devi_f_trust_hi": 2, "model_devi_clean_traj": false, "shuffle_poscar": false, "fp_style": "vasp", "fp_pp_path": "../ff", "fp_pp_files": [ "POTCAR" ], "fp_incar": "../incar/INCAR" }

machine.jason: { "api_version": "1.0", "deepmd_version": "2.2.7", "train": { "command": "/home1/zhangzt/anaconda3/envs/deepmd/bin/dp", "machine": { "batch_type": "LSF", "local_root": "./", "remote_root": "/home1/zhangzt/mlPotential_DP/dpgen_test_new/work", "context_type": "LocalContext"

},
"resources": {
  "number_node": 1,
  "cpu_per_node": 24,
  "queue_name": "E5-2680",
  "group_size": 1,
  "para_deg": 4,
  "batch_type": "LSF",
  "kwargs": {
    "gpu_usage": false
  }
}

}, "model_devi": { "command": "/home1/zhangzt/anaconda3/envs/deepmd/bin/lmp", "machine": { "batch_type": "LSF", "local_root": "./", "remote_root": "/home1/zhangzt/mlPotential_DP/dpgen_test_new/work", "context_type": "LocalContext"

},
"resources": {
  "number_node": 1,
  "cpu_per_node": 12,
  "queue_name": "E5-2630",
  "group_size": 1,
  "para_deg": 9,
  "batch_type": "LSF",
  "kwargs": {
    "gpu_usage": false
  }
}

}, "fp": { "command": "/home1/zhangzt/mylibs/vasp/vasp.5.4.4/bin/vasp_gam", "machine": { "batch_type": "LSF", "local_root": "./", "remote_root": "/home1/zhangzt/mlPotential_DP/dpgen_test_new/work", "context_type": "LocalContext"

},
"resources": {
  "number_node": 1,
  "cpu_per_node": 24,
  "queue_name": "E5-2680",
  "group_size": 1,
  "para_deg": 4,
  "batch_type": "LSF",
  "kwargs": {
    "gpu_usage": false
  }
}

} }

error log files was lost, though

Steps to Reproduce

1: conda create -n deepmd deepmd-kit==cpu libdeepmd==cpu lammps -c https://conda.deepmodeling.com -c defaults

2: conda activate deepmd

2: dpgen run carbon.jason machine.jason

Further Information, Files, and Links

No response

deepmodeling / deepmd-kit