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pd: support paddle backend and water/se_e2_a #4302

Merged
merged 65 commits into from
Nov 27, 2024
Merged

pd: support paddle backend and water/se_e2_a #4302

merged 65 commits into from
Nov 27, 2024

Commits on Nov 2, 2024

  1. add core modules of paddle backend and water/se_e2_a example

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  2. add paddle code in consistent test

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    HydrogenSulfate committed Nov 2, 2024
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  3. clean env and training

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    HydrogenSulfate committed Nov 2, 2024
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  4. add more test files

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  5. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  6. fix pt->pd

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  7. update test_python.yml

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Commits on Nov 3, 2024

  1. restore .pre-commit-config.yaml

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  2. remove redundant file

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    HydrogenSulfate committed Nov 3, 2024
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  3. Skip bfloat16 for some cases

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  4. enable prim by default in unitest

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  5. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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Commits on Nov 5, 2024

  1. fix env code

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    HydrogenSulfate committed Nov 5, 2024
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  2. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 6, 2024

  1. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  2. update test_ener.py

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  3. add missing pd_class

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    HydrogenSulfate committed Nov 6, 2024
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  4. use paddle Tensor instead of numpy array in pd/test_auto_batch_size.p… 

    …y to coverage newly added code
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Commits on Nov 7, 2024

  1. add training test and remove ase_calc.py

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  2. add training test and remove ase_calc.py

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  3. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  4. upload missing json

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  5. restore pt/test_auto_batch_size.py

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  6. rerun CI for network problem

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  7. add multitask unitest

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  8. add more unitest

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  9. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  10. remove redundant file and fix typo

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  11. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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Commits on Nov 8, 2024

  1. update unitest

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  2. delete record

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  3. remove more unused code and files

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  4. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  5. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  6. Merge branch 'add_paddle_backend_core_and_water_se_e2_a' of https://g… 

    …ithub.com/HydrogenSulfate/deepmd-kit into add_paddle_backend_core_and_water_se_e2_a
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  7. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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  8. remove redundant annotations

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  9. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  10. add nvtx profiler code in training, which is more accurate and detailed

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  11. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 9, 2024

  1. update code as devel and fix typo

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  2. fix pth -> json

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  3. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  4. update unitest and training

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  5. install paddle when test_cuda

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  6. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  7. fix unitest

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  8. add eta in logging message for convenient

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    HydrogenSulfate committed Nov 9, 2024
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  9. remove hybrid code and enable one unitest

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  10. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 11, 2024

  1. add pd/__init__.py

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  2. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  3. fix enable_prim

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    HydrogenSulfate committed Nov 11, 2024
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  4. remove unused layernorm

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    HydrogenSulfate committed Nov 11, 2024
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Commits on Nov 12, 2024

  1. Update test_cuda.yml 

    install paddlepaddle with no-deps to avoid conflict with jax

Signed-off-by: HydrogenSulfate <[email protected]>
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  2. Update test_cuda.yml 

    move paddle installation to the top to avoid conflict pip package

Signed-off-by: HydrogenSulfate <[email protected]>
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Commits on Nov 14, 2024

  1. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  2. use custom format_training_message

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  3. Merge branch 'add_paddle_backend_core_and_water_se_e2_a' of https://g… 

    …ithub.com/HydrogenSulfate/deepmd-kit into add_paddle_backend_core_and_water_se_e2_a
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  4. restore pre-commit

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    HydrogenSulfate committed Nov 14, 2024
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  5. fix pre-commit ci fail

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Commits on Nov 15, 2024

  1. prune redundant files

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  2. Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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  3. fix unitest import

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    HydrogenSulfate committed Nov 15, 2024
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  4. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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