Credit to @gregorpatof for bringing this to my attention.
DockOpt-issued docking jobs occasionally run out of memory (e.g., witnessed on n-1-16 on Gimel while running other CPU-intensive jobs on same machine). Memory requirement should be specified to job scheduler being used (e.g., --mem flag for sbatch Slurm command). @jir322 has reported that it was empirically found that 1 GB was found to be sufficient when 500 MB proved insufficient (on AWS, I believe).
In general, more granular control over the behavior of the job scheduler as determined by the parameters of the batch submit command should be made available to the user. This itself should probably become an enhancement issue.
Credit to @gregorpatof for bringing this to my attention.
DockOpt-issued docking jobs occasionally run out of memory (e.g., witnessed on n-1-16 on Gimel while running other CPU-intensive jobs on same machine). Memory requirement should be specified to job scheduler being used (e.g.,
--memflag forsbatchSlurm command). @jir322 has reported that it was empirically found that 1 GB was found to be sufficient when 500 MB proved insufficient (on AWS, I believe).In general, more granular control over the behavior of the job scheduler as determined by the parameters of the batch submit command should be made available to the user. This itself should probably become an enhancement issue.