dpgen autotest encounter an error "assert( len(data['atom_names'])==len(data['atom_numbs']) )"

[xwchen2019]

Summary

I used "dpgen autotest run param machine" to run the eos task, and it goes well. Then I use "dpgen autotest post param" to get the eos results, and encounter an error "assert( len(data['atom_names'])==len(data['atom_numbs']) )"
my param file is as below

{
"structures": ["confs"],
"interaction": {
"type": "vasp",
"incar": "relax_incar",
"potcar_prefix":"./",
"potcars": {"Mg": "POTCAR_Mg"}

},
"properties": [
	{
        "type":         "eos",
		"vol_start":	0.9,
		"vol_end":	1.1,
		"vol_step":	0.01,
        "change_box":   true
	}
    ]

}

DPGEN Version and Platform
dpgen version: 0.10.3.dev1+g02037ad.d20211031
platform:centos7

Job submission and computing cluster configuration

Expected Behavior

Actual Behavior

Steps to Reproduce

Further Information, Files, and Links

[AnguseZhang]

What's the number of atom types in confs/POSCAR ?

[xwchen2019]

only one type of atom in confs/POSCAR. Below is the POSCAR file
Mg
1.0
3.0997561 0.0000000 0.0000000
-1.0332520 2.9224780 0.0000000
-1.0332520 -1.4612390 2.5309402
Mg
1
Direct
0.00000 0.00000 0.00000

[xwchen2019]

I check the results_task.json file (part of it is showing below), it seems that the atom_names is empty,
{
"@module": "dpdata.system",
"@Class": "LabeledSystem",
"data": {
"atom_numbs": [
1
],
"atom_names": [],
"atom_types": {
"@module": "numpy",
"@Class": "array",
"dtype": "int64",
"data": [
0
]
},

[AnguseZhang]

I did not find assert( len(data['atom_names'])==len(data['atom_numbs']) ) in the current devel branch. Could you please use the latest devel branch, and try again? If there is still problem, you can post the complete traceback.

[xwchen2019]

HI, Zhang, thanks for your reply. I re-install the dpgen, the dpgen version is 0.10.0 and try it again. i got the same error

Traceback (most recent call last):
File "/home/customer/.conda/envs/deepmd/bin/dpgen", line 8, in
sys.exit(main())
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/auto_test/run.py", line 57, in gen_test
run_task(args.TASK, args.PARAM, args.MACHINE)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/auto_test/run.py", line 48, in run_task
post_property(confs, property_list)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/auto_test/common_prop.py", line 259, in post_property
prop.compute(os.path.join(path_to_work, 'result.json'), os.path.join(path_to_work, 'result.out'),
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/auto_test/Property.py", line 108, in compute
res, ptr = self._compute_lower(output_file, task_dirs, all_res)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpgen/auto_test/EOS.py", line 171, in compute_lower
task_result = loadfn(all_res[ii])
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/monty/serialization.py", line 89, in loadfn
return json.load(fp, *args, **kwargs)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/json/init.py", line 293, in load
return loads(fp.read(),
File "/home/customer/.conda/envs/deepmd/lib/python3.9/json/init.py", line 359, in loads
return cls(**kw).decode(s)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/monty/json.py", line 439, in decode
return self.process_decoded(d)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/monty/json.py", line 408, in process_decoded
return cls.from_dict(data)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/monty/json.py", line 181, in from_dict
return cls(**decoded)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpdata/system.py", line 1181, in init
check_LabeledSystem(data)
File "/home/customer/.conda/envs/deepmd/lib/python3.9/site-packages/dpdata/system.py", line 1859, in check_LabeledSystem
assert( len(data['atom_names'])==len(data['atom_numbs']) )
AssertionError

[njzjz]

The issue should have been fixed by deepmodeling/dpdata#151, or might be the same issue as deepmodeling/dpdata#359. The error happens with dpdata, and there is no error with dpgen.