Why a new iter takes less data calculated in 02.fp from last iter?

[WJiangH]

Hi,

I found that my new iteration does not train all frames calculated in 02.fp from the last iteration. In my case,

iter.000000/02.fp calculated > 50 frames, as below,

However, in the iter.000001/00.train, it only takes 6 of them (the last 6 rows):

DEEPMD INFO    found 47 system(s):
DEEPMD INFO                                        system  natoms  bch_sz   n_bch   prob  pbc
DEEPMD INFO    -- .md/sys-0016-0016-0016-0016-0016/deepmd      80       1     213  0.155    T
DEEPMD INFO    -- md_data00_BATCH_1/Vacancy_1_deepmd_data      79       1      66  0.048    T
DEEPMD INFO    -- md_data00_BATCH_1/Vacancy_2_deepmd_data      79       1      26  0.019    T
DEEPMD INFO    -- md_data00_BATCH_1/Vacancy_6_deepmd_data      79       1      88  0.064    T
DEEPMD INFO    -- md_data00_BATCH_1/Vacancy_7_deepmd_data      79       1      17  0.012    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_14_deepmd_data      79       1      24  0.017    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_16_deepmd_data      79       1      18  0.013    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_19_deepmd_data      79       1      36  0.026    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_24_deepmd_data      79       1      28  0.020    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_25_deepmd_data      79       1      24  0.017    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_30_deepmd_data      79       1      12  0.009    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_31_deepmd_data      79       1      21  0.015    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_41_deepmd_data      79       1      21  0.015    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_49_deepmd_data      79       1      22  0.016    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_54_deepmd_data      79       1      28  0.020    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_55_deepmd_data      79       1      30  0.022    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_56_deepmd_data      79       1      30  0.022    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_65_deepmd_data      79       1      54  0.039    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_67_deepmd_data      79       1       3  0.002    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_68_deepmd_data      79       1      27  0.020    T
DEEPMD INFO    -- d_data00_BATCH_1/Vacancy_75_deepmd_data      79       1      32  0.023    T
DEEPMD INFO    -- H_1/Vacancy_1Moving_atom_47_deepmd_data      79       1      35  0.025    T
DEEPMD INFO    -- H_1/Vacancy_2Moving_atom_65_deepmd_data      79       1       3  0.002    T
DEEPMD INFO    -- H_1/Vacancy_6Moving_atom_61_deepmd_data      79       1      37  0.027    T
DEEPMD INFO    -- CH_1/Vacancy_7Moving_atom_8_deepmd_data      79       1      13  0.009    T
DEEPMD INFO    -- _1/Vacancy_14Moving_atom_43_deepmd_data      79       1      29  0.021    T
DEEPMD INFO    -- _1/Vacancy_16Moving_atom_74_deepmd_data      79       1      18  0.013    T
DEEPMD INFO    -- _1/Vacancy_19Moving_atom_67_deepmd_data      79       1      41  0.030    T
DEEPMD INFO    -- _1/Vacancy_24Moving_atom_17_deepmd_data      79       1      45  0.033    T
DEEPMD INFO    -- _1/Vacancy_25Moving_atom_75_deepmd_data      79       1      20  0.015    T
DEEPMD INFO    -- _1/Vacancy_30Moving_atom_63_deepmd_data      79       1      28  0.020    T
DEEPMD INFO    -- _1/Vacancy_31Moving_atom_46_deepmd_data      79       1      28  0.020    T
DEEPMD INFO    -- _1/Vacancy_41Moving_atom_26_deepmd_data      79       1      40  0.029    T
DEEPMD INFO    -- _1/Vacancy_49Moving_atom_17_deepmd_data      79       1      29  0.021    T
DEEPMD INFO    -- _1/Vacancy_54Moving_atom_38_deepmd_data      79       1      17  0.012    T
DEEPMD INFO    -- _1/Vacancy_55Moving_atom_50_deepmd_data      79       1       3  0.002    T
DEEPMD INFO    -- H_1/Vacancy_56Moving_atom_9_deepmd_data      79       1      17  0.012    T
DEEPMD INFO    -- _1/Vacancy_65Moving_atom_58_deepmd_data      79       1      20  0.015    T
DEEPMD INFO    -- _1/Vacancy_67Moving_atom_22_deepmd_data      79       1      35  0.025    T
DEEPMD INFO    -- H_1/Vacancy_68Moving_atom_5_deepmd_data      79       1      27  0.020    T
DEEPMD INFO    -- _1/Vacancy_75Moving_atom_79_deepmd_data      79       1      17  0.012    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.004      80       1      10  0.007    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.001      80       1       4  0.003    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.000      80       1       9  0.007    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.005      80       1      10  0.007    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.002      80       1      10  0.007    T
DEEPMD INFO      ../data.iters/iter.000000/02.fp/data.003      80       1      10  0.007    T
DEEPMD INFO    --------------------------------------------------------------------------------------

Here I attached my param.json. Anything I missed there or any setting is unreasonable?
Thank you so much for any suggestions!

Best,
JJ
param.json

[njzjz]

it only takes 6 of them (the last 6 rows)

A system may contain more than one frame.