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List of critical bugs giving incorrect results without error messages
#2866 · njzjz opened on Sep 26, 2023
lmp in 2.1.3 make unrecognized pair error
#1809 · pee8379 opened on Jul 2, 2022
13

[BUG] deepmd-kit v3.2.0 installed with conda cannot freeze fine-tuned model checkpoint
deepmodeling/deepmd-kit#6039 · opened on Sep 28, 2026
2
Fine-tune descriptor mismatch warning should ignore seed
deepmodeling/deepmd-kit#6038 · opened on Sep 22, 2026
2
feat: support LMDB datasets in dp eval-desc and dp embed
deepmodeling/deepmd-kit#6034 · opened on Sep 19, 2026
1
[Feature Request] Migrate grid density model to dpmodel for multi-backend support
deepmodeling/deepmd-kit#6029 · opened on Sep 16, 2026
Deepmd training suggestion
deepmodeling/deepmd-kit#6021 · opened on Sep 13, 2026
[BUG] PT-expt se_e2_a type_one_side=False fails symbolic tracing in compiled training
deepmodeling/deepmd-kit#6017 · opened on Sep 12, 2026
1
[BUG]_SSHFS_incompatibility_issue_with_DeepMD_3.1.2
deepmodeling/deepmd-kit#6014 · opened on Sep 11, 2026
1
[Feature Request] Support decoupled observer-model inference for model deviation in deepmd/kk
deepmodeling/deepmd-kit#6000 · opened on Aug 26, 2026
1
[BUG] deepmd/kk silently ignores spin atoms instead of rejecting them
deepmodeling/deepmd-kit#5996 · opened on Aug 23, 2026
1
[BUG] DeepMD LAMMPS pair styles misinterpret comm_style tiled as CommBrick
deepmodeling/deepmd-kit#5995 · opened on Aug 23, 2026
3
[BUG] deepmd/kk can bind Torch to a different GPU than Kokkos
deepmodeling/deepmd-kit#5994 · opened on Aug 23, 2026
[BUG] dpa4spin accepts non-metal units but uses metal-unit hbar
deepmodeling/deepmd-kit#5993 · opened on Aug 23, 2026
2
[BUG] Charge/spin-conditioned DPA4 breaks ragged multi-frame graph batches
deepmodeling/deepmd-kit#5992 · opened on Aug 23, 2026
1
[BUG] Native-spin DPA4C graph path fails on zero-node graphs
deepmodeling/deepmd-kit#5991 · opened on Aug 23, 2026
pair_style deepmd/kk does not populate global virial / thermo pressure for a DPA4 pt_expt model
deepmodeling/deepmd-kit#5983 · opened on Aug 20, 2026
3
docs(pt): sync DPA4 torch.compile version text with supported allowlist
deepmodeling/deepmd-kit#5981 · opened on Aug 19, 2026
1
Make BackendModelFactory class injection complete and required (no silent dpmodel fallback)
deepmodeling/deepmd-kit#5977 · opened on Aug 17, 2026
[BUG] Multi-frame DeepPot.eval produces NaNs and corrupted outputs for frozen native-spin DPA4 graph models
deepmodeling/deepmd-kit#5969 · opened on Aug 14, 2026
3
pt_expt change-bias does not preserve the lower-input ABI of .pt2 models
deepmodeling/deepmd-kit#5959 · opened on Aug 5, 2026
Record exact label availability when building LMDB datasets
deepmodeling/deepmd-kit#5954 · opened on Aug 3, 2026
2
bug(pt-expt): compiled DPA2 lower miscompiles descriptors that depend on atype_ext
deepmodeling/deepmd-kit#5953 · opened on Aug 2, 2026
ci: build and test Paddle custom operator with CUDA
deepmodeling/deepmd-kit#5952 · opened on Aug 2, 2026
DeepMD training problem
deepmodeling/deepmd-kit#5950 · opened on Aug 1, 2026
12
fix(pt-expt): preserve DOS width in exported models
deepmodeling/deepmd-kit#5949 · opened on Aug 1, 2026
Deprecate descriptor-scoped exclude_types in favour of the model-level build-seam owner
deepmodeling/deepmd-kit#5947 · opened on Aug 1, 2026

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Issues

Issues

[BUG] deepmd-kit v3.2.0 installed with conda cannot freeze fine-tuned model checkpoint

Fine-tune descriptor mismatch warning should ignore seed

feat: support LMDB datasets in `dp eval-desc` and `dp embed`

[Feature Request] Migrate grid density model to dpmodel for multi-backend support

Deepmd training suggestion

[BUG] PT-expt se_e2_a type_one_side=False fails symbolic tracing in compiled training

[BUG]_SSHFS_incompatibility_issue_with_DeepMD_3.1.2

[Feature Request] Support decoupled observer-model inference for model deviation in deepmd/kk

[BUG] deepmd/kk silently ignores spin atoms instead of rejecting them

[BUG] DeepMD LAMMPS pair styles misinterpret comm_style tiled as CommBrick

[BUG] deepmd/kk can bind Torch to a different GPU than Kokkos

[BUG] dpa4spin accepts non-metal units but uses metal-unit hbar

[BUG] Charge/spin-conditioned DPA4 breaks ragged multi-frame graph batches

[BUG] Native-spin DPA4C graph path fails on zero-node graphs

pair_style deepmd/kk does not populate global virial / thermo pressure for a DPA4 pt_expt model

docs(pt): sync DPA4 torch.compile version text with supported allowlist

Make BackendModelFactory class injection complete and required (no silent dpmodel fallback)

[BUG] Multi-frame DeepPot.eval produces NaNs and corrupted outputs for frozen native-spin DPA4 graph models

pt_expt change-bias does not preserve the lower-input ABI of .pt2 models

Record exact label availability when building LMDB datasets

bug(pt-expt): compiled DPA2 lower miscompiles descriptors that depend on atype_ext

ci: build and test Paddle custom operator with CUDA

DeepMD training problem

fix(pt-expt): preserve DOS width in exported models

Deprecate descriptor-scoped exclude_types in favour of the model-level build-seam owner