Analysis of benchmarks ====================== As soon as the benchmarks have been submitted you can request a summary of the current performance. If a job has not yet finished, not yet started or crashed, MDBenchmark notifies you and marks the affected benchmarks accordingly. Retrieving the results ---------------------- The benchmark results can be retrieved immediately after they have been submitted, even if the jobs have not yet started. To do this, simply run:: mdbenchmark analyze This will print a summary of your benchmarks. You can do this any time and check the status of your simulations even if they haven't completed yet. The printed results look like this:: +--------------------------+---------+----------+------------------+-------+--------+----------+ | module | nodes | ns/day | run time [min] | gpu | host | ncores | |--------------------------+---------+----------+------------------+-------+--------+----------| | gromacs/2018.3 | 1 | 99.102 | 15 | True | draco | 24 | | gromacs/2018.3 | 2 | 161.454 | 15 | True | draco | 48 | | gromacs/2018.3 | 3 | ? | 15 | True | draco | 72 | | gromacs/2018.3 | 4 | 181.614 | 15 | True | draco | 96 | +--------------------------+---------+----------+------------------+-------+--------+----------+ The results above showcases that MDBenchmark displays jobs that have not finished, started or crashed with a question mark (``?``). Saving a CSV file ----------------- Once your runs have completed you can write an output CSV file for further processing and plotting. You can define the name of the output CSV file with the ``-s`` or ``--save-csv`` option:: mdbenchmark analyze --save-csv my_benchmark_results.csv Narrow down results to a specific benchmark ------------------------------------------- Similar to the submission of benchmarks, you can use the ``--directory`` option to narrow down the performance analysis to a specific path of benchmarks or a single benchmark:: mdbenchmark analyze --directory draco_gromacs/2018.3 Plot the number of cores ~~~~~~~~~~~~~~~~~~~~~~~~ You can customize the top of your plot with the ``--ncores`` option. It accepts an integer value, referring to the number of cores per node. If the option is not given, MDBenchmark will try to read this information from the log file. .. |mdbenchmark.analyze.plot| replace:: ``mdbenchmark analyze --plot`` .. _mdbenchmark.analyze.plot: plot.html