breaking: pt: add dp model format and refactor pt impl for the fitting net. #3199
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
added 12 commits
January 27, 2024 22:57
iProzd
reviewed
Jan 29, 2024
njzjz
requested changes
Jan 29, 2024
njzjz
reviewed
Jan 29, 2024
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## devel #3199 +/- ##
===========================================
+ Coverage 21.27% 74.32% +53.04%
===========================================
Files 343 344 +1
Lines 31590 31872 +282
Branches 1592 1592
===========================================
+ Hits 6722 23690 +16968
+ Misses 24170 7257 -16913
- Partials 698 925 +227 ☔ View full report in Codecov by Sentry. |
njzjz
reviewed
Jan 30, 2024
|
I will take time to figure out what is wrong with the codeql... |
wanghan-iapcm
changed the title
njzjz
approved these changes
Jan 30, 2024
iProzd
added a commit
to iProzd/deepmd-kit
that referenced
this pull request
Jan 30, 2024
* throw errors when PyTorch CXX11 ABI is different from TensorFlow (deepmodeling#3201) If so, throw the following error: ``` -- PyTorch CXX11 ABI: 0 CMake Error at CMakeLists.txt:162 (message): PyTorch CXX11 ABI mismatch TensorFlow: 0 != 1 ``` Signed-off-by: Jinzhe Zeng <[email protected]> * allow disabling TensorFlow backend during Python installation (deepmodeling#3200) Fix deepmodeling#3120. One can disable building the TensorFlow backend during `pip install` by setting `DP_ENABLE_TENSORFLOW=0`. --------- Signed-off-by: Jinzhe Zeng <[email protected]> * breaking: pt: add dp model format and refactor pt impl for the fitting net. (deepmodeling#3199) - add dp model format (backend independent definition) for the fitting - refactor torch support, compatible with dp model format - fix mlp issue: the idt should only be used when a skip connection is available. - add tools `to_numpy_array` and `to_torch_tensor`. --------- Co-authored-by: Han Wang <[email protected]> * remove duplicated fitting output check. fix codeql (deepmodeling#3202) Co-authored-by: Han Wang <[email protected]> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Han Wang <[email protected]>
Closed
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
to_numpy_arrayandto_torch_tensor.