During the dpgen process, step 04 will interrupt and report an error("run_tasks for model devi should not be empty! Please check your files."),At the same time, the files required for subsequent tasks were not generated in the 01.model_devi folder #1377
Replies: 2 comments 2 replies
-
I am encountering the same problem. May I ask if your problem is solved now and how? |
Beta Was this translation helpful? Give feedback.
2 replies
-
Please check whether the file defined in |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
-
DeePMD-kit Version
deepmd-kit—2.2.1
TensorFlow Version
2.10.0
How did you download the software?
Offline packages
Input Files, Running Commands, Error Log, etc.
run_param.json
{
"type_map": [
"Li","P","S","Cl"
],
"mass_map": [
6.9,30.97,32,35
],
"init_data_prefix": "./",
"init_data_sys": [
"data_init/md-222-0.95","data_init/md-222-1","data_init/md-222-1.05",
"data_init/md-unit-0.95","data_init/md-unit-1","data_init/md-unit-1.05"
],
"sys_format":"abacus/stru",
"sys_configs_prefix": "./",
"sys_configs": [
[
"../autotest/ab_relax/scale-1.00/eos_00/task.0000*/STRU"
]
],
"_comment": " that's all ",
"numb_models": 4,
"default_training_param": {
"model": {
"type_map": [
"Li","P","S","Cl"
],
"descriptor": {
"type": "se_e2_a",
"sel": [
36,8,28,8
],
"rcut_smth": 0.5,
"rcut": 6.0,
"neuron": [
25,
50,
100
],
"resnet_dt": false,
"axis_neuron": 16,
"seed": 1
},
"fitting_net": {
"neuron": [
240,
240,
240
],
"resnet_dt": true,
"seed": 1
}
},
"learning_rate": {
"type": "exp",
"start_lr": 0.001,
"stop_lr":3.51e-8,
"decay_steps": 2500
},
"loss": {
"start_pref_e": 0.02,
"limit_pref_e": 2,
"start_pref_f": 1000,
"limit_pref_f": 1,
"start_pref_v": 0.01,
"limit_pref_v": 1.0
},
"training": {
"stop_batch": 400000,
"disp_file": "lcurve.out",
"disp_freq": 2000,
"numb_test": 4,
"save_freq": 20000,
"save_ckpt": "model.ckpt",
"disp_training": true,
"time_training": true,
"profiling": false,
"profiling_file": "timeline.json",
"_comment": "that's all"
}
},
"model_devi_dt": 0.002,
"model_devi_skip": 0,
"model_devi_f_trust_lo": 0.15,
"model_devi_f_trust_hi": 0.35,
"model_devi_clean_traj": false,
"model_devi_jobs": [
{ "sys_idx": [0], "temps": [1200,700,500], "_press": [1.0], "trj_freq": 10,"nsteps": 20000, "ensemble": "nvt", "_idx": "00"},
{ "sys_idx": [0], "temps": [1200,700,500], "_press": [1.0], "trj_freq": 10,"nsteps": 50000, "ensemble": "nvt", "_idx": "01"},
{ "sys_idx": [0], "temps": [1200,700,500], "_press": [1.0], "trj_freq": 10,"nsteps": 80000, "ensemble": "nvt", "_idx": "02"},
{ "sys_idx": [0], "temps": [1200,700,500], "_press": [1.0], "trj_freq": 10,"nsteps": 80000, "ensemble": "nvt", "_idx": "03"},
{ "sys_idx": [0], "temps": [1200,700,500], "_press": [1.0], "trj_freq": 10,"nsteps": 80000, "ensemble": "nvt", "_idx": "04"}
],
"fp_style": "abacus",
"shuffle_poscar": false,
"fp_task_max": 800,
"fp_task_min": 10,
"fp_pp_path": "./",
"fp_pp_files": ["Li_ONCV_PBE-1.0.upf","P_ONCV_PBE-1.0.upf",
"S_ONCV_PBE-1.0.upf","Cl_ONCV_PBE-1.0.upf"],
"fp_orb_files": ["Li_gga_9au_100Ry_4s1p.orb","P_gga_8au_100Ry_2s2p1d.orb",
"S_gga_8au_100Ry_2s2p1d.orb","Cl_gga_8au_100Ry_2s2p1d.orb"],
"k_points": [3,3,3,0,0,0],
"user_fp_params":{
"calculation": "scf",
"ntype": 4,
"symmetry": 0,
"basis_type": "lcao",
"ecutwfc": 60,
"scf_thr": 1e-8,
"scf_nmax": 100,
"smearing_method": "gauss",
"smearing_sigma": 0.02,
"mixing_type": "pulay",
"mixing_beta": 0.4,
"cal_force": 1,
"cal_stress": 1
}
Beta Was this translation helpful? Give feedback.
All reactions