Set-up of VF in NMRBOX

Dear VF Team,

NMRBOX VMs ( are equipped with 32 cpus and 188 GB ram. Since it doesn’t have batch mode option (slurm) to implement the VF.

is it possible we can use existing capability of the NMRBOX computational resources to submit jobs ?. Looks like I have to edit the all.ctrl file, don’t know how to do the necessary modifications ?.

Any Help or suggestions ?.

Thank you.

Dear Vas,

Welcome to the forum :slight_smile:

VirtualFlow needs a batchsystem, and currently supports SLURM, LSF, SGE and Moab/Torque/PBS. I don’t know much about NMRBOX, and how that system works. I would suggest to get in touch with the NMRBOX community, and ask them if it is possible to run a batchsystem on top of it or if it provides some type of alternative batchsystem. In the latter case, it should be simple to extend VirtualFlow to support the additional batchsystem, and we might be able to help with this extension of VirtualFlow.