MUPHY: A Parallel MUlti PHYsics/Scale Code for High Performance Bio-Fluidic Simulations

We demonstrate the excellent parallel scalability and global performance on the IBM Blue-Gene Supercomputer of MUPHY, a new multiscale/physics code. MUPHY provides a unique parallel multiphysics combination of microscopic Molecular Dynamics (MD) with a hydro-kinetic Lattice Boltzmann (LB) method, which permits to simulate a variety of bio-fluidic problems across a wide range of scales in a fully concurrent fashion. The fea-tures of MUPHY are hereby demonstrated for the case of translocation of biopolymers through nanometer-sized, multi-pore configurations, taking into account explicitly the hy-drodynamic interactions of the translocating molecules with the surrounding fluid. The par-allel implementation exhibits excellent scalability on the BlueGene platform and includes techniques which may improve the flexibility and efficiency of other complex multi-physics parallel applications, such as hemodynamics, targeted-drug delivery and others