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fix finetune RMSE and memory issue #2860

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merged 3 commits into from
Sep 25, 2023

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@njzjz njzjz commented Sep 24, 2023

Fix #2472. The previous implementation tried to allocate a (N, N) array and the RMSE result was actually MAE instead.

Fix deepmodeling#2472. The previous implementation tried to allocate a (N, N) array and the RMSE result was actually MAE instead.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz linked an issue Sep 24, 2023 that may be closed by this pull request
@njzjz njzjz changed the title fix fintune RMSE and memory issue fix finetune RMSE and memory issue Sep 24, 2023
njzjz added a commit to dptech-corp/deepmd-pytorch that referenced this pull request Sep 24, 2023
The previous RMSE result was actually MAE instead.

See also deepmodeling/deepmd-kit#2860.
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codecov bot commented Sep 24, 2023

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (c2c6476) 75.38% compared to head (3ca5714) 75.38%.
Report is 3 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2860   +/-   ##
=======================================
  Coverage   75.38%   75.38%           
=======================================
  Files         242      242           
  Lines       24424    24424           
  Branches     1580     1580           
=======================================
  Hits        18411    18411           
  Misses       5082     5082           
  Partials      931      931           
Files Changed Coverage Δ
deepmd/fit/ener.py 90.13% <100.00%> (ø)

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Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
@wanghan-iapcm wanghan-iapcm enabled auto-merge (squash) September 25, 2023 06:04
njzjz added a commit to dptech-corp/deepmd-pytorch that referenced this pull request Sep 25, 2023
@wanghan-iapcm wanghan-iapcm merged commit 67f30e0 into deepmodeling:devel Sep 25, 2023
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iProzd pushed a commit to dptech-corp/deepmd-pytorch that referenced this pull request Oct 13, 2023
* fix finetune RMSE result

The previous RMSE result was actually MAE instead.

See also deepmodeling/deepmd-kit#2860.

* apply changes in deepmodeling/deepmd-kit#2860
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[BUG] finetune OOM and killed
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