Dpgen+Cp2Kdata error

[diaojiaz]

During the DPGEN iterative process, after completing the 02.fp step in one of the iterations, cp2kdata failed to convert the CP2K calculation results into deepmd data. The error message is as follows. Previous iterations proceeded normally. Can anyone help me ?

Traceback (most recent call last):
File "deepmd-kit/bin/dpgen", line 8, in
sys.exit(main())
^^^^^^
File "deepmd-kit/lib/python3.12/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "deepmd-kit/lib/python3.12/site-packages/dpgen/generator/run.py", line 5474, in gen_run
run_iter(args.PARAM, args.MACHINE)
File "deepmd-kit/lib/python3.12/site-packages/dpgen/generator/run.py", line 4829, in run_iter
post_fp(ii, jdata)
File "deepmd-kit/lib/python3.12/site-packages/dpgen/generator/run.py", line 4693, in post_fp
post_fp_cp2k(iter_index, jdata)
File "deepmd-kit/lib/python3.12/site-packages/dpgen/generator/run.py", line 4532, in post_fp_cp2k
all_sys.to_deepmd_raw(sys_data_path)
File "deepmd-kit/lib/python3.12/site-packages/dpdata/system.py", line 1783, in to_format
return self.to_fmt_obj(ff(), *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "deepmd-kit/lib/python3.12/site-packages/dpdata/system.py", line 1412, in to_fmt_obj
ss.to_fmt_obj(fmtobj, fn, *args, **kwargs)
File "deepmd-kit/lib/python3.12/site-packages/dpdata/system.py", line 1238, in to_fmt_obj
return fmtobj.to_labeled_system(self.data, *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "deepmd-kit/lib/python3.12/site-packages/dpdata/format.py", line 241, in to_labeled_system
return self.to_system(data, *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "deepmd-kit/lib/python3.12/site-packages/dpdata/plugins/deepmd.py", line 54, in to_system
dpdata.deepmd.raw.dump(file_name, data)
File "deepmd-kit/lib/python3.12/site-packages/dpdata/deepmd/raw.py", line 95, in dump
nframes = data["cells"].shape[0]
^^^^^^^^^^^^^^^^^^^
AttributeError: 'list' object has no attribute 'shape'