EDAPINENUT
commented
1 month ago 您可以查询scatter中message, index的shape。 看起来是其中的tensor sizes dim=2处没有与前一个的dim=0没有成功对齐。 在torch geometric等软件包的版本都符合的情况下， 我测试过这份代码，没有遇到类似的问题。
Closed darkcorvushhh closed 4 days ago
EDAPINENUT
commented
1 month ago 您可以查询scatter中message, index的shape。 看起来是其中的tensor sizes dim=2处没有与前一个的dim=0没有成功对齐。 在torch geometric等软件包的版本都符合的情况下， 我测试过这份代码，没有遇到类似的问题。
TangHuihao
commented
4 days ago 我的运行环境，供参考。
name: geoab
channels:
- bioconda
- huggingface
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- aiohttp=3.8.5=py311h459d7ec_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- async-timeout=4.0.3=pyhd8ed1ab_0
- attrs=23.1.0=pyh71513ae_1
- aws-c-auth=0.7.3=he2921ad_3
- aws-c-cal=0.6.2=hc309b26_1
- aws-c-common=0.9.0=hd590300_0
- aws-c-compression=0.2.17=h4d4d85c_2
- aws-c-event-stream=0.3.2=h2e3709c_0
- aws-c-http=0.7.12=hc865f51_1
- aws-c-io=0.13.32=h1a03231_3
- aws-c-mqtt=0.9.6=h3a0376c_0
- aws-c-s3=0.3.17=h1678ad6_0
- aws-c-sdkutils=0.1.12=h4d4d85c_1
- aws-checksums=0.1.17=h4d4d85c_1
- aws-crt-cpp=0.23.1=hf7d0843_2
- aws-sdk-cpp=1.11.156=he6c2984_2
- blas=1.0=openblas
- brotli-python=1.1.0=py311hb755f60_0
- bzip2=1.0.8=h7f98852_4
- c-ares=1.19.1=hd590300_0
- ca-certificates=2024.9.24=h06a4308_0
- charset-normalizer=3.2.0=pyhd8ed1ab_0
- click=8.1.7=unix_pyh707e725_0
- colorama=0.4.6=pyhd8ed1ab_0
- dataclasses=0.8=pyhc8e2a94_3
- datasets=2.14.5=py_0
- dill=0.3.7=pyhd8ed1ab_0
- frozenlist=1.4.0=py311h459d7ec_1
- fsspec=2023.9.2=pyh1a96a4e_0
- gflags=2.2.2=he1b5a44_1004
- glog=0.6.0=h6f12383_0
- huggingface_hub=0.17.3=py_0
- idna=3.4=pyhd8ed1ab_0
- importlib-metadata=6.8.0=pyha770c72_0
- importlib_metadata=6.8.0=hd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- krb5=1.21.2=h659d440_0
- ld_impl_linux-64=2.40=h41732ed_0
- lddt=2.2=h9ee0642_0
- libabseil=20230802.1=cxx17_h59595ed_0
- libarrow=13.0.0=h1935d02_4_cpu
- libblas=3.9.0=18_linux64_openblas
- libbrotlicommon=1.1.0=hd590300_0
- libbrotlidec=1.1.0=hd590300_0
- libbrotlienc=1.1.0=hd590300_0
- libcblas=3.9.0=18_linux64_openblas
- libcrc32c=1.1.2=h9c3ff4c_0
- libcurl=8.3.0=hca28451_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- libevent=2.1.12=hf998b51_1
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.1.0=he5830b7_0
- libgfortran-ng=13.2.0=h69a702a_0
- libgfortran5=13.2.0=ha4646dd_0
- libgomp=13.1.0=he5830b7_0
- libgoogle-cloud=2.12.0=h8d7e28b_2
- libgrpc=1.57.0=ha4d0f93_1
- liblapack=3.9.0=18_linux64_openblas
- libnghttp2=1.52.0=h61bc06f_0
- libnsl=2.0.0=h7f98852_0
- libnuma=2.0.16=h0b41bf4_1
- libopenblas=0.3.24=pthreads_h413a1c8_0
- libprotobuf=4.23.4=hf27288f_6
- libsqlite=3.42.0=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_2
- libthrift=0.19.0=h8fd135c_0
- libutf8proc=2.8.0=h166bdaf_0
- libuuid=2.38.1=h0b41bf4_0
- libzlib=1.2.13=hd590300_5
- lz4-c=1.9.4=hcb278e6_0
- multidict=6.0.4=py311h2582759_0
- multiprocess=0.70.15=py311h459d7ec_1
- ncurses=6.4=hcb278e6_0
- openssl=3.2.1=hd590300_1
- orc=1.9.0=h52d3b3c_2
- packaging=23.1=pyhd8ed1ab_0
- pandas=2.1.1=py311h320fe9a_0
- pip=24.2=py311h06a4308_0
- pyarrow=13.0.0=py311h39c9aba_4_cpu
- pysocks=1.7.1=pyha2e5f31_6
- python=3.11.4=hab00c5b_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python-xxhash=3.3.0=py311h459d7ec_1
- python_abi=3.11=4_cp311
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyyaml=6.0.1=py311h459d7ec_1
- rdma-core=28.9=h59595ed_1
- re2=2023.03.02=h8c504da_0
- readline=8.2=h8228510_1
- regex=2023.8.8=py311h459d7ec_1
- requests=2.31.0=pyhd8ed1ab_0
- s2n=1.3.51=h06160fa_0
- sacremoses=master=py_0
- safetensors=0.3.3=py311h46250e7_1
- setuptools=68.0.0=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- snappy=1.1.10=h9fff704_0
- tk=8.6.12=h27826a3_0
- tokenizers=0.13.3=py311h1b04a43_0
- transformers=4.33.2=pyhd8ed1ab_0
- tzdata=2023c=h71feb2d_0
- ucx=1.14.1=h64cca9d_5
- wheel=0.40.0=pyhd8ed1ab_1
- xxhash=0.8.2=hd590300_0
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- yarl=1.9.2=py311h459d7ec_0
- zipp=3.17.0=pyhd8ed1ab_0
- zstd=1.5.5=hfc55251_0
- pip:
- absl-py==1.4.0
- astor==0.8.1
- astropy==5.3.3
- biopython==1.81
- biotite==0.38.0
- cachetools==5.3.1
- certifi==2023.5.7
- cloudpickle==2.2.1
- cmake==3.26.4
- contextlib2==21.6.0
- contourpy==1.1.1
- cycler==0.11.0
- e3nn==0.5.1
- easydict==1.10
- filelock==3.11.0
- fonttools==4.42.1
- google-auth==2.22.0
- google-auth-oauthlib==1.0.0
- grpcio==1.56.0
- jinja2==3.1.2
- joblib==1.3.1
- json-tricks==3.17.3
- kiwisolver==1.4.5
- lightning-utilities==0.9.0
- lit==16.0.6
- lmdb==1.4.1
- markdown==3.4.3
- markupsafe==2.1.3
- matplotlib==3.8.0
- mpmath==1.3.0
- msgpack==1.0.6
- networkx==3.1
- nni==3.0
- numpy==1.25.1
- nvidia-cublas-cu11==11.10.3.66
- nvidia-cuda-cupti-cu11==11.7.101
- nvidia-cuda-nvrtc-cu11==11.7.99
- nvidia-cuda-runtime-cu11==11.7.99
- nvidia-cudnn-cu11==8.5.0.96
- nvidia-cufft-cu11==10.9.0.58
- nvidia-curand-cu11==10.2.10.91
- nvidia-cusolver-cu11==11.4.0.1
- nvidia-cusparse-cu11==11.7.4.91
- nvidia-ml-py==12.535.108
- nvidia-nccl-cu11==2.14.3
- nvidia-nvtx-cu11==11.7.91
- oauthlib==3.2.2
- opt-einsum==3.3.0
- opt-einsum-fx==0.1.4
- pillow==10.0.0
- prettytable==3.9.0
- protobuf==4.23.4
- psutil==5.9.5
- pyasn1==0.5.0
- pyasn1-modules==0.3.0
- pyerfa==2.0.0.3
- pyg-lib==0.4.0+pt20cu117
- pyparsing==3.1.0
- pythonwebhdfs==0.2.3
- pytorch-lightning==2.0.9
- rdkit==2023.3.2
- requests-oauthlib==1.3.1
- responses==0.23.3
- rsa==4.9
- schema==0.7.5
- scikit-learn==1.3.0
- scipy==1.11.1
- seaborn==0.12.2
- simplejson==3.19.1
- sympy==1.12
- tensorboard==2.13.0
- tensorboard-data-server==0.7.1
- threadpoolctl==3.2.0
- torch==2.0.1
- torch-cluster==1.6.3+pt20cu117
- torch-geometric==2.3.1
- torch-scatter==2.1.2+pt20cu117
- torch-sparse==0.6.18+pt20cu117
- torch-spline-conv==1.2.2+pt20cu117
- torchaudio==2.0.2
- torchmetrics==1.2.0
- torchvision==0.15.2
- tqdm==4.65.0
- triton==2.0.0
- typeguard==4.1.2
- types-pyyaml==6.0.12.12
- typing-extensions==4.7.1
- urllib3==1.26.16
- wcwidth==0.2.6
- websockets==11.0.3
- werkzeug==2.3.6
如题，