IndexError when converting ABACUS data to dp data

[xyh01]

Hello,

When trying to convert ABACUS MD files to dp data by data = dpdata.LabeledSystem('lcao_gammaonly_Si8', fmt = 'abacus/md'), I got this error:

File "/xxx/Python-3.9.16/final/lib/python3.9/site-packages/dpdata/system.py", line 505, in sub_system

tmp.data[tt.name] = self.data[tt.name][tuple(new_shape)]

IndexError: index 11 is out of bounds for axis 0 with size 11

ABACUS MD files were generated by the example provided by ABACUS under NVE ensemble.

This error occurred with both dpdata-0.2.15 and 0.2.14.
Is this a bug or should I change the version of dpdata?

[xyh01]

What's more, sometimes the error is "IndexError: index 12 is out of bounds for axis 0 with size 11",
while len(data) equals 11.
It looks a bit strange.

And so far, all dpdatas >= 2.6.0 have encountered this error.

Is there any advice on how to tackle this problem?

[xyh01]

The reason is that the size of validation data is larger than the size of total data, which makes data.sub_system() go wrong.