Abstract. Alya is a multi-physics simulation code developed at Barcelona Supercomputing Center (BSC). From its inception Alya code is designed using advanced High Performance Computing programming techniques to solve coupled problems on supercomputers efficiently. The target domain is engineering, with all its particular features: complex geometries and unstructured meshes, coupled multi-physics with exotic coupling schemes and physical models, ill-posed problems, flexibility needs for rapidly including new models, etc. Since its beginnings in 2004, Alya has scaled well in an increasing number of processors when solving single-physics problems such as fluid mechanics, solid mechanics, acoustics, etc. Over time, we have made a concerted effort to maintain and even improve scalability for multi-physics problems. This poses challenges on multiple fronts, including: numerical models, parallel implementation, physical coupling models, algorithms and solution schemes, meshing process, etc. In this paper, we introduce Alya's main features and focus particularly on its solvers. We present Alya's performance up to 100.000 processors in Blue Waters, the NCSA supercomputer with selected multi-physics tests that are representative of the engineering world. The tests are incompressible flow in a human respiratory system, low Mach combustion problem in a kiln furnace, and coupled electro-mechanical contraction of the heart. We show scalability plots for all cases and discuss all aspects of such simulations, including solver convergence.Key words. Multi-physics coupling, Parallelisation, Computational Mechanics 1. Introduction. Across a range of engineering fields, the use of computational models is pervasive in the whole design and manufacturing process. In complex systems, High Performance Computing (HPC) plays an essential role in simulation and modelling. Researchers and manufacturing teams depend on HPC to create safe cars and energy-efficient aircraft as well as effective communication systems and efficient supply chain models. Availability of advanced HPC technologies has also fundamentally altered the investigative paradigm in the field of biomechanics. But paradoxically, for many engineers and researchers, the existing hardware and software cannot be used to solve their problems. There are many reasons why this happens, but we focus here in only two. On one hand, current HPC systems lack the computational power, network bandwidth and data storage needed for solving tomorrow's real-world engineering challenges. On the other hand, while emerging peta-scale computing is already a strategic enabler of large-scale simulations in many scientific areas (such as astronomy, biology and chemistry), even the most powerful hardware will fail to deliver on its full potential unless matched with simulation software designed specifically for such environments.Several papers describe the effort of performing large-scale simulations on supercomputers, covering key areas: molecular dynamics [26], mantle convection in solid earth dynami...

In this work, we present a fully coupled fluid-electro-mechanical model of a 50th percentile human heart. The model is implemented on Alya, the BSC multi-physics parallel code, capable of running efficiently in supercomputers. Blood in the cardiac cavities is modeled by the incompressible Navier-Stokes equations and an arbitrary Lagrangian-Eulerian (ALE) scheme. Electrophysiology is modeled with a monodomain scheme and the O'Hara-Rudy cell model. Solid mechanics is modeled with a total Lagrangian formulation for discrete strains using the Holzapfel-Ogden cardiac tissue material model. The three problems are simultaneously and bidirectionally coupled through an electromechanical feedback and a fluid-structure interaction scheme. In this paper, we present the scheme in detail and propose it as a computational cardiac workbench.

In this paper, a highly parallel coupled electromechanical model of the heart is presented and assessed. The parallel-coupled model is thoroughly discussed, with scalability proven up to hundreds of cores. This work focuses on the mechanical part, including the constitutive model (proposing some modifications to pre-existent models), the numerical scheme and the coupling strategy. The model is next assessed through two examples. First, the simulation of a small piece of cardiac tissue is used to introduce the main features of the coupled model and calibrate its parameters against experimental evidence. Then, a more realistic problem is solved using those parameters, with a mesh of the Oxford ventricular rabbit model. The results of both examples demonstrate the capability of the model to run efficiently in hundreds of processors and to reproduce some basic characteristic of cardiac deformation.

SUMMARYThis paper presents a patient-sensitive simulation strategy capable of using the most efficient way the high-performance computational resources. The proposed strategy directly involves three different players: Computational Mechanics Scientists (CMS), Image Processing Scientists and Cardiologists, each one mastering its own expertise area within the project. This paper describes the general integrative scheme but focusing on the CMS side presents a massively parallel implementation of computational electrophysiology applied to cardiac tissue simulation. The paper covers different angles of the computational problem: equations, numerical issues, the algorithm and parallel implementation. The proposed methodology is illustrated with numerical simulations testing all the different possibilities, ranging from small domains up to very large ones. A key issue is the almost ideal scalability not only for large and complex problems but also for medium-size meshes. The explicit formulation is particularly well suited for solving this highly transient problems, with very short time-scale.

Cardiac electromechanical simulations of the heart with fibers extracted from experimental data produce functional scores closer to healthy ranges than rule-based models disregarding architecture connectivity.