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pd: support dpa2 #4418

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Dec 25, 2024
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48f77f3
add core modules of paddle backend and water/se_e2_a example
HydrogenSulfate Nov 2, 2024
2082a59
add paddle code in consistent test
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2ae45b8
clean env and training
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7f03a04
add more test files
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4d1c44c
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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72c9b4e
fix pt->pd
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3b1c348
update test_python.yml
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restore .pre-commit-config.yaml
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remove redundant file
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Skip bfloat16 for some cases
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4b77e55
enable prim by default in unitest
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[pre-commit.ci] auto fixes from pre-commit.com hooks
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9437957
fix env code
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f1d762f
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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8534597
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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c22b45d
update test_ener.py
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39842ff
add missing pd_class
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07cd98e
use paddle Tensor instead of numpy array in pd/test_auto_batch_size.p…
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bb2d547
add training test and remove ase_calc.py
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5fb6d8e
add training test and remove ase_calc.py
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91066f8
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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90c9c03
upload missing json
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eb7384e
restore pt/test_auto_batch_size.py
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9faf54f
rerun CI for network problem
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4e3a121
add multitask unitest
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18333ab
add more unitest
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Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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remove redundant file and fix typo
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update unitest
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remove more unused code and files
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Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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Merge branch 'add_paddle_backend_core_and_water_se_e2_a' of https://g…
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d11bf4d
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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b7a8cec
add nvtx profiler code in training, which is more accurate and detailed
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7567cf8
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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416fec8
update code as devel and fix typo
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1c0161c
fix pth -> json
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02a6f84
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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3354e5c
update unitest and training
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0d3f8cf
install paddle when test_cuda
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18215ff
Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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859b94d
fix unitest
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74ee1c2
add eta in logging message for convenient
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f176309
remove hybrid code and enable one unitest
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Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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fac51d3
add pd/__init__.py
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Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a
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db1cd76
fix enable_prim
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36512fd
remove unused layernorm
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351bf7a
update dpa1 code
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01d4179
Merge branch 'devel' into add_dpa1
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701926a
update dpa2 code
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bc1cb38
update code of dpa1
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b4bc9db
Merge branch 'devel' into add_dpa1
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c944b82
restore decomp to paddle function
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4c925f9
remove redundant files
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dd3191a
update unitest and codes
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7df0e2f
fix
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ac479ed
update code
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3e64196
Merge branch 'devel' into add_dpa1
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56e079c
update typos
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3d70e7c
update code
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8b5b4a8
fix coverage
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e74d272
update consistent check of dpa1
HydrogenSulfate Nov 30, 2024
1a79a06
Merge branch 'add_dpa1' into add_dpa2_v2
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4520e97
add unittests code of dpa2 and replace several decomp. API to paddle.…
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79ed0f0
fix typos
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89d82f9
update UT code in test_se_t_tebd
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984b242
Merge branch 'add_dpa2_v22' into add_dpa2_v2
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617a258
update __init__
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6e5ebb3
solve code QL
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3cfb90f
Merge branch 'devel' into add_dpa2_v2
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575726a
fix unitest and typo
HydrogenSulfate Dec 19, 2024
befc111
Merge branch 'devel' into add_dpa2_v2
HydrogenSulfate Dec 23, 2024
abeae6d
update reference in dpa2.py
HydrogenSulfate Dec 23, 2024
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14 changes: 14 additions & 0 deletions deepmd/pd/model/descriptor/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,20 +9,34 @@
DescrptBlockSeAtten,
DescrptDPA1,
)
from .dpa2 import (
DescrptDPA2,
)
from .env_mat import (
prod_env_mat,
)
from .repformers import (
DescrptBlockRepformers,
)
from .se_a import (
DescrptBlockSeA,
DescrptSeA,
)
from .se_t_tebd import (
DescrptBlockSeTTebd,
DescrptSeTTebd,
)

__all__ = [
"BaseDescriptor",
"DescriptorBlock",
"DescrptBlockRepformers",
"DescrptBlockSeA",
"DescrptBlockSeAtten",
"DescrptBlockSeTTebd",
"DescrptDPA1",
"DescrptDPA2",
"DescrptSeA",
"DescrptSeTTebd",
"prod_env_mat",
]
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