Chun Cai
Chun Cai
Hi @xavierchee , Which GPU do you use to run the task?
Hi @xavierchee , Uni-Dock currently supports the case each ligand file containing one ligand. If this is necessary, please refer to #35 .
Hi Jeremy @JGBurgess1 , I noticed that you are facing the error of `code=34(cudaErrorStubLibrary)`. This indicates that your CUDA library or driver is not installed correctly. Run `nvidia-smi` to check...
@JGBurgess1 I guess you are using a cluster with slurm/PBS? Please try compiling and running Uni-Dock on the GPU nodes.
Hi @hotwa , Looks like you and @XingyuLiao in #12 are facing the same problem. We are trying to build a WSL environment and further investigate this issue.
Hi @hotwa , Sorry for the late reply. It seems that your GPU memory size is insufficient for Uni-Dock to launch. We are working on the compatibility on multiple GPUs.
> I need at least 24GB of GPU memory for Uni-Dock to launch？ @hotwa 12GB is recommended. Please see https://github.com/dptech-corp/Uni-Dock/issues/9#issuecomment-1616488315
Hi @hotwa , I compiled Uni-Dock from source code and successfully finished the task under `examples/screening_test`. I use ubuntu 22.04 with WSL2, on my 3070 Ti 8GB GPU. It seems...
> When compiled it, I have some trouble. if unidock runing in anaconda, will be great. Please try: `conda install -c https://conda.mlops.dp.tech/caic -c conda-forge unidock`
Hi @XingyuLiao , Would you provide more detailed info for us to locate the problem. Thanks!