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# Gromacs that can be accelerated at AMD GPU | ||
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## GPU acquirement | ||
### Any AMD GPU supporting ROCm framework, especially fast at Instinct series like MI100 / MI50 | ||
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## System acquirement | ||
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### capable linux system equipped with ROCm framework, centos 8.3 recommended | ||
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## installation guide | ||
``` | ||
cd GROMACS-AMDGPU | ||
cmake .. -DGMX_GPU_USE_AMD=on | ||
make -j12 | ||
make check | ||
make install | ||
``` | ||
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## estimate performance | ||
``` | ||
MI100 = V100S 2X | ||
MI100 = A100 1.3X | ||
2*MI100 = MI100 1.2X | ||
``` | ||
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### external links | ||
### initial Gromacs repo | ||
#### https://github.com/gromacs/gromacs | ||
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### amd hipify docker image | ||
#### https://www.amd.com/en/technologies/infinity-hub/gromacs |