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benchmarks/README: add "how to obtain results"
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shoshijak authored and dev-zero committed Nov 25, 2019
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- The parallel_launcher is mpirun, mpiexec, or some variant such as aprun on Cray systems or srun when using Slurm.
- `launcher_options` specifies parallel placement in terms of total numbers of nodes, MPI ranks/tasks, tasks per node, and OpenMP threads per task (which should be equal to the value given to OMP_NUM_THREADS). This is not necessary if parallel runtime options are picked up by the launcher from the job environment.

### Obtain Benchmark Results

The reported walltime for a given run can be obtained by querying the resulting `.log` file for CP2K's internal timing, as follows:
```
$ grep "CP2K " *.log
```

Moreover, the end of the resulting `.log` files contains some performance numbers:

- `DBCSR STATISTICS`: statistics on DBCSR's computation and communication performance. First few lines: number of flops spent on different small dense block sizes, and which proportion of them ran on BLAS, Small Matrix-Matrix multiplicator (`SMM`), and GPU (`ACC`).
- `DBCSR MESSAGE PASSING PERFORMANCE`: statistics on MPI calls in DBCSR
- `MESSAGE PASSING PERFORMANCE`: statistics on MPI calls in CP2K
- `T I M I N G`: timing and number of calls of CP2K functions

### Plotting

Python scripts for generating the scaling graphs are provided in [cp2k/tools/benchmark_plots/](../tools/benchmark_plots/).
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