GROMACS version: 2021.5
GROMACS modification: No
Hi all,
I am running a long simulation, but we have a batch queues limit of 2 days. I’m restarting the run manually from checkpoint, but i was wondering if there is an easier way to restart automatically every time the run stops.
I would be very careful automating restarts. Talk to your sysadmins about that.
I guess your queuing system would support multiple jobs with dependencies on the previous job (or -d singleton if you’re using a slurm system). Then you can just put a few of them in the queue.