Segmentation fault when running generate_ligands.py
RobinPoelmans opened this issue · comments
Hi,
When I try to run generate_ligands.py, I get the following error:
Segmentation fault (core dumped)
I am running on an NVIDIA RTX A4500 GPU, with 20470MiB VRAM, and I created my conda environment in the following way:
conda create -n diffSBDD_env
conda activate diffSBDD_env
conda install cudatoolkit=10.2
conda install pytorch-gpu -c pytorch
conda install -c conda-forge pytorch-lightning
conda install -c conda-forge wandb
conda install -c conda-forge rdkit
conda install -c conda-forge imageio
conda install -c pyg pytorch-scatter
conda install -c conda-forge openbabel
pip install networkx
pip install Bio
pip install torchvision torchaudio
Thanks in advance for helping me solve this issue!
Kind regards,
Robin