hello VirtualFlow developers,
I have followed the tutorial for virtual flow 1 and it works fine on my local HPC, but when I want to start my own virtual screen, the jobs always fail immediately.
I have tried modifying central_todo_list_splitting_size, ligands_todo_per_queue, ligands_per_refilling_step without effect.
The jobs submit to my cluster, but fail immediately with exitcode 1.
The size of my screen is ~6.6M compounds
Hi Tommy,
Can you please share you all.ctrl file?
Kind regards,
Sorin