You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
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
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
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
The text was updated successfully, but these errors were encountered:
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
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
The text was updated successfully, but these errors were encountered: