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[BUG] something wrong in dpgen init bulk #1681

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Normadp opened this issue Dec 2, 2024 · 0 comments
Open

[BUG] something wrong in dpgen init bulk #1681

Normadp opened this issue Dec 2, 2024 · 0 comments
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bug Something isn't working

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@Normadp
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Normadp commented Dec 2, 2024

Bug summary

During the dpgen init bulk process, it stayed at stage 3 and did not proceed to stage 4. There were no errors reported in both err and log
Image
Image

DP-GEN Version

0.13.0

Platform, Python Version, Remote Platform, etc

wslubuntupython3.10.9

Input Files, Running Commands, Error Log, etc.

2024-12-02 17:29:50,485 - INFO : # working dir POSCAR_LiSi.01x01x01
2024-12-02 17:29:50,487 - INFO : Elements are Li Si
2024-12-02 17:29:50,487 - INFO : Current stage is 1, relax
2024-12-02 17:29:50,494 - INFO : [8, 8]
2024-12-02 19:23:03,706 - INFO : # working dir POSCAR_LiSi.01x01x01
2024-12-02 19:23:03,708 - INFO : Elements are Li Si
2024-12-02 19:23:03,708 - INFO : Current stage is 1, relax
2024-12-02 19:23:03,714 - INFO : [8, 8]

log
nohup: ignoring input
INFO:dpgen:# working dir POSCAR_LiSi.01x01x01
INFO:dpgen:Elements are Li Si
INFO:dpgen:Current stage is 1, relax
INFO:dpgen:[8, 8]
INFO:dpgen:Current stage is 2, perturb and scale
INFO:dpgen:Current stage is 3, run a short md

here is my machine.json
machine.json

commands:nohup dpgen init_bulk param.json machine.json >log 2>err&

Steps to Reproduce

When I prepared the input file to generate an initial dataset of LiSi according to the online example, I found that after performing a short md in stage 3, it stopped without any error message, but successfully generated 00place 01scale.. Three folders with 02. md

Further Information, Files, and Links

No response

@Normadp Normadp added the bug Something isn't working label Dec 2, 2024
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