RuntimeError: find too many unsuccessfully terminated jobs. Too many FP tasks are not converged.

[goodluck-xyz]

When I run dpgen, there are error in fp.

The error like this:

INFO:dpgen:failed tasks: 0 in 50 0.00 %
INFO:dpgen:failed frame: 50 in 50 100.00 %
Traceback (most recent call last):
File "/usr/local/bin/dpgen", line 8, in
sys.exit(main())
File "/usr/local/lib/python3.8/dist-packages/dpgen/main.py", line 185, in main
args.func(args)
File "/usr/local/lib/python3.8/dist-packages/dpgen/generator/run.py", line 3642, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/usr/local/lib/python3.8/dist-packages/dpgen/generator/run.py", line 3631, in run_iter
post_fp (ii, jdata)
File "/usr/local/lib/python3.8/dist-packages/dpgen/generator/run.py", line 3508, in post_fp
post_fp_vasp(iter_index, jdata)
File "/usr/local/lib/python3.8/dist-packages/dpgen/generator/run.py", line 3177, in post_fp_vasp
raise RuntimeError("find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'")
RuntimeError: find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'

I have run the vasp program separately. It run successfully.
Especially, when NSW=10 or 20, the frame failed ratio is 100%. While NSW =1 , the frame failed ratio is 20%. I think the problem is the judgement about failed frame. Excepted the vasp error, what will lead the failed frame.

[HuangJiameng]

https://github.com/deepmodeling/dpgen/blob/master/dpgen/generator/run.py#L3177
You can find the function that raised the error here. If OUTCAR is abnormal, the frame will be regarded as failed. Could you check fp.log to find out why VASP jobs failed?

[goodluck-xyz]

I have cheak the fp.log. The vasp normally finish. Just a warning about the unoccupied bands.
https://github.com/deepmodeling/dpgen/blob/master/dpgen/generator/run.py#L3134
This judgement will classify multi-ionic steps into failed. I think this judgement should be changed into judging whether the last ionic step exists.

[HuangJiameng]

Besides, NSW should be set as 1. The INCAR for FP step is prepared for self-consistent field calculation.

[Guancred]

whether the NSW can be set as 0? while the similar error occurred when NSW=0