LIMO The code runs very slowly after this point “subprocess.run(f'{autodock} -M {protein_file} -s 0 -L ligands/0/ligand0.pdbqt -N outs/ligand0', shell=True, stdout=subprocess.DEVNULL, stderr=subprocess.DEVNULL)”

The code runs very slowly after this point “subprocess.run(f'{autodock} -M {protein_file} -s 0 -L ligands/0/ligand0.pdbqt -N outs/ligand0', shell=True, stdout=subprocess.DEVNULL, stderr=subprocess.DEVNULL)”

Open renyongqi529 opened this issue 2 years ago • 1 comments

I see nvidia-smi is GPU-Util:0%,but Memory-Usage is used. I have AutoDock-GPU installed and it compiles fine.Please give me some pointers, thanks.

Jul 14 '22 12:07 renyongqi529