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