The Open MPI Project is an open source Message Passing Interface implementation that is developed and maintained by a consortium of academic, research, and industry partners.

The Intel® oneAPI DPC++/C++Compiler provides optimizations that help your applications to run faster on Intel® 64 and IA-32 (Windows and Linux only) architectures, with support for the latest C, C++, and DPC++ language standards (including C++17).

The NVIDIA HPC Software Development Kit (SDK) includes the proven compilers, libraries and software tools essential to maximizing developer productivity and the performance and portability of HPC applications.

The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.

ARPACK software is capable of solving large scale symmetric, nonsymmetric, and generalized eigenproblems from significant application areas. The software is designed to compute a few (k) eigenvalues with user specified features such as those of largest real part or largest magnitude. Storage requirements are on the order of n*k locations. No auxiliary storage is required. A set of Schur basis vectors for the desired k-dimensional eigen-space is computed which is numerically orthogonal to working precision. Numerically accurate eigenvectors are available on request.

PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. It supports MPI, and GPUs through CUDA, HIP or OpenCL, as well as hybrid MPI-GPU parallelism.

Application optimization using FPGAs

A multiscale computational framework for coupling the multiple length scales in chemical vapor deposition (CVD) processes is implemented for studying the effect of the prevailing conditions inside a CVD reactor (macro-scale) on the film growth on a wafer with predefined topography (micro-scale). A multi-parallel method is proposed for accelerating the computations. It combines domain decomposition methods for the macro-scale (reactor scale) model, which is based on partial differential equations (PDEs), and a synchronous master-worker scheme for the parallel computation of the boundary conditions (BCs) for the PDEs; BCs are coming from the micro-scale model describing film growth on the predefined topography.

A set of linear and nonlinear stability analysis tools have been developed to analyze steady state incompressible flows in 3D geometries. The algorithms have been implemented to be scalable to hundreds of parallel processors. The linear stability of steady state flows are determined by calculating the rightmost eigenvalues of the associated generalize eigenvalue problem. Nonlinear stability is studied by bifurcation analysis techniques. The boundaries between desirable and undesirable operating conditions are determined for buoyant flow in the rotating disk CVD reactor.

We present a numerical study of the structure and stability of laminar isothermal flows formed by two counterflowing jets of an incompressible Newtonian fluid. We demonstrate that symmetric counterflowing jets with identical mass flow rates exhibit multiple steady states and, in certain cases, time-dependent (periodic) steady states. Two geometric configurations were studied based on the inlet jet shapes: planar and axisymmetric. Stagnation flows formed by planar counterflowing jets exhibit both steady-state multiplicity and time-dependent behaviour, while axisymmetric jets exhibit only a steady-state multiplicity. A linearized bifurcation and stability analysis based on the continuity and Navier–Stokes equations revealed transitions between a single (symmetric) steady state and multiple steady states or periodic steady states. The dimensionless quantities forming the parameter space of this system are the inlet Reynolds number (R$e$) and a geometric aspect ratio ($\alpha$), equal to the jet inlet characteristic length (used for calculating R$e$) divided by the jet separation. The boundaries separating different flow regimes have been identified in the (R$e$, $\alpha$) parameter space. The resulting flow maps are useful for the design and operation of counterflow jet reactors.