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Running your microStamp simulation

Now that you have installed onika and exaNBody, the microStamp MD mini app is available and you can create your simulation file using the YAML format. Please refer to the User guide or Tutorials to learn how to build your first input deck. Once this file is constructed, you can run your simulation with a specified number of MPI processes and threads per MPI process. Whether you installed exaStamp using CMake or spack, follow the following instructions.

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export microStamp_exec=${XNB_INSTALL_DIR}/bin/exaNBody
export OMP_NUM_THREADS=10
export N_MPI=2
mpirun -np ${N_MPI} microStamp_exec myinput.msp

```bash linenums="1" export OMP_NUM_THREADS=10 export N_MPI=2 spack load exanbody mpirun -np ${N_NMPI} exaNBody myinput.msp

Examples

A lot of examples for microStamp are located in the exaNBody/contribs/microStamp/samples folder. A good start is to inspect these examples to design your first simulation.