An error occurred when using dpgen to call dpata to transform the output file of the CP2K single-point energy calculation task.

[LJH-ST]

This is the error message:

1. INFO:dpgen:start running
2. INFO:dpgen:=============================iter.000000==============================
3. INFO:dpgen:-------------------------iter.000000 task 00--------------------------
4. INFO:dpgen:-------------------------iter.000000 task 01--------------------------
5. INFO:dpgen:-------------------------iter.000000 task 02--------------------------
6. INFO:dpgen:-------------------------iter.000000 task 03--------------------------
7. INFO:dpgen:-------------------------iter.000000 task 04--------------------------
8. INFO:dpgen:-------------------------iter.000000 task 05--------------------------
9. INFO:dpgen:-------------------------iter.000000 task 06--------------------------
10. INFO:dpgen:system 000 candidate : 9 in 1001 0.90 %
11. INFO:dpgen:system 000 failed : 963 in 1001 96.20 %
12. INFO:dpgen:system 000 accurate : 29 in 1001 2.90 %
13. INFO:dpgen:system 000 accurate_ratio: 0.0290 thresholds: 1.0000 and 1.0000 eff. task min and max -1 200 number of fp tasks: 9
14. INFO:dpgen:-------------------------iter.000000 task 07--------------------------
15. INFO:dpgen:-------------------------iter.000000 task 08--------------------------
16. Traceback (most recent call last):
17. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/bin/dpgen", line 8, in

18. sys.exit(main())
    

19.          ^^^^^^
    

20. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpgen/main.py", line 255, in main

21. args.func(args)
    

22. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpgen/generator/run.py", line 5474, in gen_run

23. run_iter(args.PARAM, args.MACHINE)
    

24. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpgen/generator/run.py", line 4829, in run_iter

25. post_fp(ii, jdata)
    

26. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpgen/generator/run.py", line 4693, in post_fp

27. post_fp_cp2k(iter_index, jdata)
    

28. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpgen/generator/run.py", line 4524, in post_fp_cp2k

29. _sys = dpdata.LabeledSystem(
    

30.        ^^^^^^^^^^^^^^^^^^^^^
    

31. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpdata/system.py", line 197, in init

32. self.from_fmt(
    

33. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpdata/system.py", line 234, in from_fmt

34. return self.from_fmt_obj(load_format(fmt), file_name, **kwargs)
    

35.        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    

36. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/dpdata/system.py", line 1224, in from_fmt_obj

37. data = fmtobj.from_labeled_system(file_name, **kwargs)
    

38.        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    

39. File "/share/home/u85153/apps/anaconda3/envs/deepmd2211/lib/python3.12/site-packages/cp2kdata/dpdata_plugin.py", line 64, in from_labeled_system

40. data['energies'] = cp2k_e_f.energies_list * AU_TO_EV
    

41.                    ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
    

42. TypeError: unsupported operand type(s) for *: 'NoneType' and 'float'

I have uploaded the output file of CP2K Single Point Energy Calculation task. Please help me to improve this problem, thank you very much.
output.txt

[wanghan-iapcm]

solved by deepmodeling/deepmd-kit#4681