XzzX / mrmd

Multi Resolution Molecular Dynamics

MRMD

Multi Resolution Molecular Dynamics

How to Build

Requirements

Infrastructure

• A C++17 compatible compiler
• CMake >= 3.19

Libraries

• MPI
• Kokkos
  You need to build it yourself for the intended target architecture and backend.
• parallel installation of HDF5

Will be downloaded automatically and compiled alongside MRMD:

• CLI11
• fmt
• yaml-cpp
• Cabana
• googletest

Build Instructions

git clone https://github.com/XzzX/mrmd
cmake -S mrmd -B mrmd-build -DCMAKE_BUILD_TYPE=Release
cmake --build mrmd-build --target all -j 8