RosettaCommons / RosettaCommons/RFdiffusion

5070Ti cuda error

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Python
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Description

The current workstation GPU is a 5070ti, and the currently installed CUDA version is 12.8
Now I want to install a torch package compatible with CUDA 12.8; the command I use to install is:

pip3 install --pre torch torchvision torchaudio --index-url https://download.pytorch.org/whl/nightly/cu128

After installation, I then built and installed RFdiffusion. After installation, when running computational tasks, I encountered an error with the torchdata package. Currently I have torchdata version 0.11.0 installed; in this version the datapipes module was removed or moved into the core library, but the DGL library I am using still imports from from torchdata.datapipes.iter, so I changed the torchdata version to 0.7.1 using the command

pip install torchdata==0.7.1 --no-deps

This ensures that my torch version won't be affected. Unfortunately, after the change a mismatch in the C++ underlying dynamic library versions appeared:

/home/kk203/Downloads/Soft/Test-RF/RFdiffusion/rfdiffusion/util.py:253: UserWarning: Using torch.cross without specifying the 
dim arg is deprecated.
Please either pass the dim explicitly or simply use torch.linalg.cross.
The default value of dim will change to agree with that of linalg.cross in a future release. (Triggered internally at /pytorch
/aten/src/ATen/native/Cross.cpp:63.)
Z = torch.cross(Xn, Yn)
Traceback (most recent call last):
File "/home/kk203/Downloads/Soft/Test-RF/RFdiffusion/scripts/run_inference.py", line 25, in
from rfdiffusion.inference import utils as iu
File "/home/kk203/Downloads/Soft/Test-RF/RFdiffusion/rfdiffusion/inference/utils.py", line 6, in
from rfdiffusion.diffusion import get_beta_schedule
File "/home/kk203/Downloads/Soft/Test-RF/RFdiffusion/rfdiffusion/diffusion.py", line 12, in
from rfdiffusion.util_module import ComputeAllAtomCoords
File "/home/kk203/Downloads/Soft/Test-RF/RFdiffusion/rfdiffusion/util_module.py", line 7, in
import dgl
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/init.py", line 16, in
from . import (
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/dataloading/init.py", line 13, in
from .dataloader import *
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/dataloading/dataloader.py", line 27, in
from ..distributed import DistGraph
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/distributed/init.py", line 5, in
from .dist_graph import DistGraph, DistGraphServer, edge_split, node_split
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/distributed/dist_graph.py", line 11, in
from .. import backend as F, graphbolt as gb, heterograph_index
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/graphbolt/init.py", line 55, in
load_graphbolt()
File "/home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/dgl/graphbolt/init.py", line 45, in load_graphbolt
raise FileNotFoundError(
FileNotFoundError: Cannot find DGL C++ graphbolt library at /home/kk203/.conda/envs/RFdiffusion/lib/python3.10/site-packages/d
gl/graphbolt/libgraphbolt_pytorch_2.10.0.so

I would like to ask if there are any good ways to resolve version conflicts between these libraries, or if anyone can recommend versions of torch, DGL, and other libraries to install for the 5070 Ti GPU so that GPU acceleration can be used.

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start with scripts/run_inference.py and the import chain through rfdiffusion/inference/utils.py, rfdiffusion/diffusion.py, and rfdiffusion/util_module.py. Reproduce the failure while recording the installed torch, DGL, and torchdata versions, then determine which compatible dependency set resolves the missing GraphBolt library. Done means documenting a reproducible installation and successful inference run.

Written by the indexing model from the issue text.

Assessment

Tech stack
python, pytorch
Domain
machine-learning
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Active
Clarity
Needs clarification
Newbie friendliness
35/100

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