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# MD-Bench
A simple modular molecular dynamics benchmark
A simple, sequential C version of the Mantevo miniMD benchmark.
## Build
1. Open the `Makefile` and edit the `TAG` value according to the tool chain used. Currently supported is GCC, CLANG (LLVM), and ICC (Intel).
2. Open and adapt the compiler flags in `<include_<TOOLCHAIN>.mk`, e.g. in `include_ICC.mk` for the Intel tool chain.
3. Build the binary calling `make`.
You can clean intermediate build results with `make clean`, and all build results with `make distclean`.
You have to call `make clean` before `make` if you changed the build settings.
## Configuration
Currently all settings are hard-coded in `main.c`.