This paper introduces mdFoam+, which is an MPI parallelised molecular dynamics (MD) solver implemented entirely within the OpenFOAM software framework. It is open-source and released under the same GNU General Public License (GPL) as OpenFOAM. The source code is released as a publicly open software repository that includes detailed documentation and tutorial cases. Since mdFoam+ is designed ent...

Introduction There is a revolution going on, impacting and transforming how computational mechanics and the associated design and optimization are done: the emergence, availability, and large-scale use of OpenFOAM [1]. It belongs to the contemporary open-source trend not unlike the roles played by the Linux operating system or the Internet encyclopedia Wikipedia. OpenFOAM is free and is used by...

Hardware-aware design and optimization is crucial in exploiting emerging architectures for PDE-based computational fluid dynamics applications. In this work, we study optimizations aimed at acceleration of OpenFOAM-based applications on emerging hybrid heterogeneous platforms. OpenFOAM uses MPI to provide parallel multi-processor functionality, which scales well on homogeneous systems but does ...

We present a discrete adjoint version of OpenFOAM obtained by operator overloading which yields, in comparison to continuous adjoint versions, a greater flexibility and robustness. We discuss our implementation and how the discrete adjoint version of OpenFOAM differs from existing continuous implementations. To reduce the inherent memory requirement of discrete adjoint code we introduce a check...

A high order accurate discontinuous galerkin method based curvedelement implementation in OpenFOAM is presented in this work. The degree of freedom points on origin straight side mesh are mapped to curvilinear edges by finding nearest points on boundary. Then the deformation are transported to the inner points by blended method. Based on the run-time dynamic code of OpenFOAM, we design a conven...

The power of OpenFOAM [1] in physical modelling stems from mimicking of partial differential equations in software, thus allowing rapid and reliable implementation of complex physical models. State-of-the art complex geometry handling and dynamic mesh features are essential for practical engineering use. This paper describes features of dynamic mesh support in OpenFOAM. Polyhedral mesh handling...

Bio BIO I'm a professional computational scientist. I specialize in simulations of complex multidimensional flows and transport (6 years), simulation of heat transfer (6 years), parallel computations in MPI (6 years), scientific visualization and data processing (6 years), simulations and mesh preparation in OpenFOAM (2 years), development in Wolfram Mathematica (6 years), Python and Fortran 90...

A parallel multilevel k-way partitioning algorithm is used in OpenFOAM to perform parallel mesh-decomposition. Before the parallel decomposition procedure, mesh has to be pre-decomposed by the Simple method in OpenFOAM. Matchcomputation for the algorithm’s parallel coarsening phase is based on a kind of global match scheme which introduces large amount of communication overhead. However, the do...