Benchmarks using the small QM system with BLYP show that MiMiC retains high scaling efficiency up to 1,296 cores within BO-MD with a total time per time step equal to approximately 0.8 seconds (see Fig. ). With four OpenMP threads per MPI process the scaling via grid decomposition is exhausted at 864 cores. Further scaling of BO-MD is possible by using six threads per process. Using task groups does not extend the scalability any further (last point in Fig. ). CP-MD behaves in a similar way allowing use of 1,296 cores with 0.28 seconds per time step. A superlinear behavior is observed near 300 cores, which can be attributed to the phenomena described in subsection 4.1.