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Integrate paddle backend in devel branch #4157

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59b9af5
Add paddle backend code(WIP)
HydrogenSulfate Sep 3, 2024
7f32618
update runnable code with water/se_e2_a
HydrogenSulfate Sep 4, 2024
217bf36
update correct water/se_e2_a code
HydrogenSulfate Sep 4, 2024
0ad720d
fix extra state
HydrogenSulfate Sep 5, 2024
1d7b0d1
Fix typo and bugs
HydrogenSulfate Sep 6, 2024
f6eeef6
fix concat
HydrogenSulfate Sep 6, 2024
ec021f7
update fix code
HydrogenSulfate Sep 7, 2024
55f71f6
add normalize composite impl
HydrogenSulfate Sep 9, 2024
ebdbed2
use prim function instead of vanilla function, supporting
HydrogenSulfate Sep 10, 2024
e0aeb73
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Sep 10, 2024
0896c90
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Sep 13, 2024
2e79d68
update inference code(WIP)
HydrogenSulfate Sep 14, 2024
482d588
update CMAKE code(WIP)
HydrogenSulfate Sep 18, 2024
a3c4663
update CMAKE
HydrogenSulfate Sep 18, 2024
2b4832a
add build script
HydrogenSulfate Sep 18, 2024
f1100e4
Update water/se_e2_a + LAMMPS code
HydrogenSulfate Sep 23, 2024
3068869
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Sep 23, 2024
68a2d62
fix get_pd_version
HydrogenSulfate Sep 23, 2024
ff7e0ef
fix read_env.py
HydrogenSulfate Sep 23, 2024
023ba53
fix suffix
HydrogenSulfate Sep 23, 2024
8a1834f
fix pd/cxx_op.py
HydrogenSulfate Sep 23, 2024
396bd54
fix main.py
HydrogenSulfate Sep 23, 2024
66734bc
fix get_item_paddle
HydrogenSulfate Sep 23, 2024
ba02ae8
restore in.lammps
HydrogenSulfate Sep 23, 2024
40157dd
restore pyproject.toml
HydrogenSulfate Sep 23, 2024
8d53aec
simplify CMAKE
HydrogenSulfate Sep 23, 2024
e39d466
restore c_api.cc
HydrogenSulfate Sep 23, 2024
b97571e
fix bugs
HydrogenSulfate Sep 24, 2024
50092c6
change pt -> pd
HydrogenSulfate Sep 24, 2024
e02dd11
refactor DeepPotPD.cc
HydrogenSulfate Sep 24, 2024
8343077
update commonPD.h
HydrogenSulfate Sep 24, 2024
09c54f3
remove boost
HydrogenSulfate Sep 24, 2024
bc854b2
refine code
HydrogenSulfate Sep 25, 2024
892fd80
update refined infer code
HydrogenSulfate Sep 26, 2024
04b9064
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Sep 27, 2024
b3a6408
remove redundant code
HydrogenSulfate Sep 27, 2024
15a7e75
refine docstring of get_buffer
HydrogenSulfate Sep 27, 2024
c792563
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Sep 27, 2024
72241ea
update pd version code
HydrogenSulfate Sep 27, 2024
8694476
restore non related files
HydrogenSulfate Sep 27, 2024
e246a34
add paddle to related docs
HydrogenSulfate Sep 27, 2024
5ee8bcf
optimize cmake paddle macro name
HydrogenSulfate Sep 27, 2024
e3c1ceb
update parallel training with paddle backend
HydrogenSulfate Sep 27, 2024
49ba5a5
use 0-D Tensor as buffer shape
HydrogenSulfate Sep 27, 2024
f1cae59
support DCU(rocm)
HydrogenSulfate Sep 29, 2024
a83fb63
simplify compile code
HydrogenSulfate Sep 29, 2024
f7f64b1
fix code
HydrogenSulfate Oct 9, 2024
d5a313e
remove float() for already supporting 0-D scalar __format__
HydrogenSulfate Oct 14, 2024
299548a
polish flag via paddle.set_flags
HydrogenSulfate Oct 14, 2024
97828b3
restore make_model.py
HydrogenSulfate Oct 14, 2024
d67e27c
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 14, 2024
87069e5
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 14, 2024
d6e3fdb
update document and fix bugs in code
HydrogenSulfate Oct 15, 2024
8004a52
Merge branch 'add_paddle_backend' of https://github.com/HydrogenSulfa…
HydrogenSulfate Oct 15, 2024
8e951cd
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 15, 2024
3a0f700
simplify code and only support json and pd
HydrogenSulfate Oct 15, 2024
73c0d17
Merge branch 'add_paddle_backend' of https://github.com/HydrogenSulfa…
HydrogenSulfate Oct 15, 2024
8a59a53
Fix get_generator
HydrogenSulfate Oct 15, 2024
7821997
set default NUM_WORKERS to 0
HydrogenSulfate Oct 15, 2024
ed51258
fix LOCAL_RANK
HydrogenSulfate Oct 15, 2024
13c7f55
update CMAKE and remove build_cc_pd.sh
HydrogenSulfate Oct 17, 2024
e013860
remove paddle.jit.export
HydrogenSulfate Oct 17, 2024
4c4568f
refine code
HydrogenSulfate Oct 17, 2024
7525dac
fix neighborstat bug: gt -> ge
HydrogenSulfate Oct 18, 2024
312a3ef
fix bugs and add unitest of paddle backend
HydrogenSulfate Oct 20, 2024
5e4edd7
fix part of codes
HydrogenSulfate Oct 22, 2024
0146f24
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 22, 2024
834d512
update document and test_python yaml
HydrogenSulfate Oct 22, 2024
9e90416
remove typeAlias for not available in python3.9
HydrogenSulfate Oct 22, 2024
cfacca3
update repformers.py
HydrogenSulfate Oct 22, 2024
d492397
remove old_impl code and redundant init.py
HydrogenSulfate Oct 24, 2024
de24e27
correct paddlepaddle requirement string
HydrogenSulfate Oct 24, 2024
264286f
update old code
HydrogenSulfate Oct 24, 2024
fd6aff0
update test C++ interface
HydrogenSulfate Oct 28, 2024
6651e87
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 28, 2024
39ca3b7
update pip index
HydrogenSulfate Oct 28, 2024
2de0d2b
remoe cvt.py
HydrogenSulfate Oct 28, 2024
11d0344
update files
HydrogenSulfate Oct 28, 2024
3650214
upload new files
HydrogenSulfate Oct 28, 2024
754b948
update code
HydrogenSulfate Oct 28, 2024
f007fb4
upload missing files
HydrogenSulfate Oct 28, 2024
da4fb97
add soft link
HydrogenSulfate Oct 28, 2024
f8a4279
fix ci
HydrogenSulfate Oct 28, 2024
1643c6c
refine nlist
HydrogenSulfate Oct 28, 2024
0d0662f
fix req
HydrogenSulfate Oct 28, 2024
8b9ee50
update index-strategy
HydrogenSulfate Oct 28, 2024
d10a3f7
add auto download for paddle_inference.tgz
HydrogenSulfate Oct 28, 2024
f6253cf
skip 3 allclose temporarily
HydrogenSulfate Oct 28, 2024
690dec2
fix mlp
HydrogenSulfate Oct 29, 2024
ec47dd8
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 29, 2024
03084d2
fix test_nlist.py
HydrogenSulfate Oct 29, 2024
10e4a0d
set device in env.py
HydrogenSulfate Oct 29, 2024
a1adc8a
skip some tests temporarily
HydrogenSulfate Oct 29, 2024
5edc0ae
quite download and decompression
HydrogenSulfate Oct 29, 2024
6d13376
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 29, 2024
9b1f322
update project.toml
HydrogenSulfate Oct 29, 2024
2b34756
use np.testing.assert_allclose instead of paddle.allclose for more ac…
HydrogenSulfate Oct 29, 2024
dad72c8
use np.testing.assert_allclose instead of paddle.allclose
HydrogenSulfate Oct 29, 2024
cbc9c65
reduce prec from 1e-10 to 1e-9 for test_rot
HydrogenSulfate Oct 29, 2024
afd4746
Merge branch 'devel' into add_paddle_backend
HydrogenSulfate Oct 30, 2024
7b2476f
support LKF optimizer
HydrogenSulfate Oct 31, 2024
26047e9
fix condition block dtype mismatch in jit.save and enable 2 unitest
HydrogenSulfate Oct 31, 2024
d03702a
fix bugs and enable more pd unitests
HydrogenSulfate Nov 1, 2024
c611955
fix the last 2 files
HydrogenSulfate Nov 1, 2024
3b27c49
rename aux to decomp
HydrogenSulfate Nov 1, 2024
541dae6
polish decomp.py
HydrogenSulfate Nov 1, 2024
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fix mlp
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HydrogenSulfate committed Oct 29, 2024

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commit 690dec2dfb6c58f27252a32bed59275f7bb14f57
4 changes: 2 additions & 2 deletions deepmd/pd/model/network/mlp.py
Original file line number Diff line number Diff line change
@@ -230,8 +230,8 @@ def forward(
yy += xx
elif 2 * xx.shape[-1] == yy.shape[-1]:
yy += paddle.concat([xx, xx], axis=-1)
else:
yy = yy
# else:
# yy = yy
yy = yy.astype(ori_prec)
return yy