moebiusband/MD-Bench
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Update introduction text and add gather bench figure

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti 2022-09-29 14:46:24 +02:00
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README.md
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MD-Bench is a toolbox for the performance engineering of short-range force calculation kernels on molecular-dynamics applications.
It aims at covering all available state-of-the-art algorithms from different community codes such as LAMMPS and GROMACS.
Besides, many tools to study and evaluate the in-depth performance of such kernels on distinct hardware are made available like the gather-bench which is a benchmark to mimic the data movement from such kernels and the stubbed force calculation cases used to isolate the impacts caused by memory latencies and control flow divergence.
Apart from that, many tools to study and evaluate the in-depth performance of such kernels on distinct hardware are offered, like the gather-bench which is a benchmark to mimic the data movement from such kernels and the stubbed force calculation cases used to isolate the impacts caused by memory latencies and control flow divergence.
| Verlet Lists | GROMACS MxN | Stubbed case |
| Verlet Lists | GROMACS MxN | Stubbed cases |
| ---------------------------------------------- | -------------------------------------------------- | ------------------------------------------------- |
| ![Image](figures/verlet_v2.png "Verlet Lists") | ![Image](figures/gromacs_mxn_v2.png "GROMACS MxN") | ![Image](figures/stub_new_v3.png "Stubbed cases") |
![Image](figures/gather_bench.svg "gather-bench")
## Build instructions
Properly configure your building by changing `config.mk` file. The following options are available: