Skip to content

fix: remove lmp_traj from forward_files in run_md_model_devi#944

Merged
wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
HuangJiameng:fix_merge_traj_forward_files
Sep 13, 2022
Merged

fix: remove lmp_traj from forward_files in run_md_model_devi#944
wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
HuangJiameng:fix_merge_traj_forward_files

Conversation

@HuangJiameng
Copy link
Collaborator

lmp_traj should not be in forward_files in run_model_devi step.

@HuangJiameng
Copy link
Collaborator Author

This fix aims to solve the problem mentioned in #938.

@codecov-commenter
Copy link

codecov-commenter commented Sep 12, 2022

Codecov Report

Merging #944 (45cebde) into devel (6347ba8) will not change coverage.
The diff coverage is 0.00%.

@@           Coverage Diff           @@
##            devel     #944   +/-   ##
=======================================
  Coverage   38.16%   38.16%           
=======================================
  Files          99       99           
  Lines       17885    17885           
=======================================
  Hits         6825     6825           
  Misses      11060    11060           
Impacted Files Coverage Δ
dpgen/generator/run.py 62.00% <0.00%> (ø)

Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.

@wanghan-iapcm wanghan-iapcm merged commit 368e179 into deepmodeling:devel Sep 13, 2022
@njzjz
Copy link
Member

njzjz commented Sep 13, 2022

This PR is incorrect - LAMMPS will throw errors when the directory does not exist.

@wanghan-iapcm
Copy link
Contributor

@HuangJiameng have you really tested this PR?

@HuangJiameng
Copy link
Collaborator Author

I have tested it with model_devi_merge_traj = true. I see, I will fix it.

@HuangJiameng
Copy link
Collaborator Author

This PR is incorrect - LAMMPS will throw errors when the directory does not exist.

This error will occur when model_devi_merge_traj = false

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants