Submission of benchmarks ======================== After all benchmark systems are generated, you can also use MDBenchmark to submit these to the queuing system on your HPC. We currently support submission to `Slurm`_, `SGE`_ and `LoadLeveler`_. Submitting all generated benchmarks ----------------------------------- To submit all generated benchmarks that are recursively found starting in the current directory, use:: mdbenchmark submit .. note:: ``mdbenchmark submit`` will currently submit all benchmarks in the current folder and its subdirectory without confirmation. Use the ``--directory`` option to limit this behavior. Submitting specific benchmarks separately ----------------------------------------- If you do not want to submit all benchmark systems at once, you can submit them separately with the ``--directory`` option. Simply define the relative path to the given directory:: mdbenchmark submit --directory draco_gromacs/2016.4-plumed2.3 Force submitting jobs that were already submitted once ------------------------------------------------------ If your jobs were already submitted, but you want to resubmit them once more, you can do so with the ``--force`` option:: mdbenchmark submit --force .. _Slurm: https://en.wikipedia.org/wiki/Slurm_Workload_Manager .. _SGE: https://en.wikipedia.org/wiki/Oracle_Grid_Engine .. _LoadLeveler: https://en.wikipedia.org/wiki/IBM_Tivoli_Workload_Scheduler