During the evaluation step, ColabFold reports "WARNING: no GPU detected, will be using CPU" despite a GPU being allocated via SLURM. This makes evaluation extremely slow.
Root cause: The genie3 conda environment installs jaxlib without CUDA support.
Fix: pip install "jax[cuda]" "openmm[cuda12]"
Note: pip will warn about a nvidia-cudnn-cu12 version conflict with PyTorch, but both PyTorch and JAX work correctly at runtime despite this warning.
During the evaluation step, ColabFold reports "WARNING: no GPU detected, will be using CPU" despite a GPU being allocated via SLURM. This makes evaluation extremely slow.
Root cause: The genie3 conda environment installs jaxlib without CUDA support.
Fix: pip install "jax[cuda]" "openmm[cuda12]"
Note: pip will warn about a nvidia-cudnn-cu12 version conflict with PyTorch, but both PyTorch and JAX work correctly at runtime despite this warning.