[Example: a gas phase methane molecule]Error:json.decoder.JSONDecodeError: Expecting property name enclosed in double quotes: line 12 column 4 (char 240)

[gwlhrz]

Hello,

I ran the dpgen using following command--

dpgen run param.json machine.json

Output --
Traceback (most recent call last):
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/dpgen/generator/run.py", line 3557, in run_iter
mdata=loadfn(machine_file)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/monty/serialization.py", line 72, in loadfn
return json.load(fp, *args, **kwargs)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/init.py", line 293, in load
return loads(fp.read(),
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/init.py", line 370, in loads
return cls(**kw).decode(s)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/monty/json.py", line 474, in decode
d = json.loads(s)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/init.py", line 357, in loads
return _default_decoder.decode(s)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/decoder.py", line 337, in decode
obj, end = self.raw_decode(s, idx=_w(s, 0).end())
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/decoder.py", line 353, in raw_decode
obj, end = self.scan_once(s, idx)
json.decoder.JSONDecodeError: Expecting property name enclosed in double quotes: line 12 column 4 (char 240)

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
File "/public/home/hrzdsg/anaconda3/bin/dpgen", line 8, in
sys.exit(main())
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/dpgen/main.py", line 185, in main
args.func(args)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/dpgen/generator/run.py", line 3642, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/site-packages/dpgen/generator/run.py", line 3562, in run_iter
mdata = json.load (fp)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/init.py", line 293, in load
return loads(fp.read(),
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/init.py", line 357, in loads
return _default_decoder.decode(s)
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/decoder.py", line 337, in decode
obj, end = self.raw_decode(s, idx=_w(s, 0).end())
File "/public/home/hrzdsg/anaconda3/lib/python3.8/json/decoder.py", line 353, in raw_decode
obj, end = self.scan_once(s, idx)
json.decoder.JSONDecodeError: Expecting property name enclosed in double quotes: line 12 column 4 (char 240)

The example is from tutorial of DP-GEN and here is the machine.json, param.json
machine.json
{
"api_version": "1.0",
"deepmd_version": "2.0.1",
"train" :[
{
"machine": {
"batch_type": "Slurm",
"hostname": "192.168.2.185",
"port": 22,
"username": "hrzdsg",
"work_path": "/public/home/hrzdsg/tmp/train",
},
"resources": {
"task_per_node": 4,
"numb_node": 1,
"numb_gpu": 0,
"partition": "debug",
"exclude_list": [],
"source_list": [
"/public/home/hrzdsg/anaconda3/bin/dpgen"
],
"_module_list": [],
"time_limit": "23:0:0",
"qos": "data"
},
"comman": "/public/home/hrzdsg/anaconda3/bin/python3.8",
}
],
"model_devi":[
{
"machine": {
"machine_type": "Slurm",
"hostname": "192.168.2.185",
"port": 22,
"username": "hrzdsg",
"work_path": "/public/home/hrzdsg/tmp/train",
},
"resources": {
"task_per_node": 4,
"numb_node": 1,
"numb_gpu": 0,
"partition": "debug",
"exclude_list": [],
"source_list": [
"/public/home/hrzdsg/anaconda3/envs/deepmd"
],
"_module_list": [
"fftw/3.1.2",
"openmpi/1.10.2",
"deepmd-kit/2.1.1"
],
"time_limit": "23:0:0",
},
"comman": "/public/home/hrzdsg/Code/bc/lammps",
"group_size": 5
}
],
"fp":[
{
"machine": {
"machine_type": "Slurm",
"hostname": "192.168.2.185",
"port": 22,
"username": "hrzdsg",
"work_path": "/public/home/hrzdsg/tmp/train",
},
"resources": {
"task_per_node": 4,
"numb_node": 1,
"numb_gpu": 0,
"exclude_list": [],
"with_mpi": false,
"source_list": [],
"_module_list": [
"intel/2020",
"intelmpi/2018",
"mkl",
"fftw",
"vasp/5.4.1"
],
"time_limit": "12:0:0",
"partition": "debug",
"_comment": "that's All"
},
"comman": "mpirun -np 24 /public/home/hrzdsg/vasp/vasp.5.4.1/bin/vasp_std",
"group_size": 1
}
],
}
param.json
{
"type_map": ["H","C"],
"mass_map": [1,12],
"init_data_prefix": "../",
"init_data_sys": ["init/CH4.POSCAR.01x01x01/02.md/sys-0004-0001/deepmd"],
"sys_configs_prefix": "../",
"sys_configs": [
["init/CH4.POSCAR.01x01x01/01.scale_pert/sys-0004-0001/scale-1.000/00000*/POSCAR"],
["init/CH4.POSCAR.01x01x01/01.scale_pert/sys-0004-0001/scale-1.000/00001*/POSCAR"]
],
"_comment": " that's all ",
"numb_models": 4,
"default_training_param": {
"model": {
"type_map": ["H","C"],
"descriptor": {
"type": "se_a",
"sel": [16,4],
"rcut_smth": 0.5,
"rcut": 5.0,
"neuron": [120,120,120],
"resnet_dt": true,
"axis_neuron": 12,
"seed": 1
},
"fitting_net": {
"neuron": [25,50,100],
"resnet_dt": false,
"seed": 1
}
},
"learning_rate": {
"type": "exp",
"start_lr": 0.001,
"decay_steps": 5000
},
"loss": {
"start_pref_e": 0.02,
"limit_pref_e": 2,
"start_pref_f": 1000,
"limit_pref_f": 1,
"start_pref_v": 0.0,
"limit_pref_v": 0.0
},
"training": {
"stop_batch": 2000,
"disp_file": "lcurve.out",
"disp_freq": 1000,
"numb_test": 4,
"save_freq": 1000,
"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": 0.05,
"model_devi_f_trust_hi": 0.15,
"model_devi_e_trust_lo": 10000000000.0,
"model_devi_e_trust_hi": 10000000000.0,
"model_devi_clean_traj": true,
"model_devi_jobs": [
{"sys_idx": [0],"temps": [100],"press": [1.0],"trj_freq": 10,"nsteps": 300,"ensemble": "nvt","_idx": "00"},
{"sys_idx": [1],"temps": [100],"press": [1.0],"trj_freq": 10,"nsteps": 3000,"ensemble": "nvt","_idx": "01"}
],
"fp_style": "vasp",
"shuffle_poscar": false,
"fp_task_max": 20,
"fp_task_min": 5,
"fp_pp_path": "./",
"fp_pp_files": ["POTCAR_H","POTCAR_C"],
"fp_incar": "./INCAR_methane"
}
thanks

[njzjz]

This error means the file is not in a valid JSON format.

[gwlhrz]

Thanks. Can both MACHINE.JSON and PARAM.JSON cause this error?

[Kangxuxin]

JSONDecodeError: Expecting property name enclosed in double quotes: line 12

Extra comma in line 12 of machine.jons