Autodock vina error ------ "killed" while running

[Soumyadutta03]

Whenever i am running vina with 10000 exhaustiveness and 10000 num modes Its keeps getting terminated. can you help me with this ?

While on the other hand if i am running it in lower exhaustiveness like 100 then it is working and not getting terminated and i am getting the results

This is the command i am using to run and i am using this on linux terminal
vina --receptor protein.pdbqt --ligand peptide01mt.pdbqt --config conv_vs.txt --out peptide01mt_out.pdbqt --cpu 12

conf_vs (2).txt

[rwxayheee]

Hi @Soumyadutta03
I think your process might be killed due to the memory limit (RAM?) of your device. It was not immediately killed at the beginning like the one you saw bfore, because the memory usage grows with the process. Using the same grid size and exhaustiveness, I monitored the resident set size (RSS) and it eventually became over 100 GiB for my calculation..
So if your device cannot allocate this much memory, please consider using a cluster or some alternate docking strategy: divide the 66X60X90 box into several 15X15X15 subspaces, run calculations in these small boxes individually (maybe with a little lower exhaustiveness also). You can gather and compare the results from individual calculations at the end

also it seems to take forever to process the 10000 modes... according to the standard output (and CPU usage) I think my docking was finished but i never got the PDBQT outputs :<