No Arabic abstract
In this work, we consider alternative discretizations for PDEs which use expansions involving integral operators to approximate spatial derivatives. These constructions use explicit information within the integral terms, but treat boundary data implicitly, which contributes to the overall speed of the method. This approach is provably unconditionally stable for linear problems and stability has been demonstrated experimentally for nonlinear problems. Additionally, it is matrix-free in the sense that it is not necessary to invert linear systems and iteration is not required for nonlinear terms. Moreover, the scheme employs a fast summation algorithm that yields a method with a computational complexity of $mathcal{O}(N)$, where $N$ is the number of mesh points along a direction. While much work has been done to explore the theory behind these methods, their practicality in large scale computing environments is a largely unexplored topic. In this work, we explore the performance of these methods by developing a domain decomposition algorithm suitable for distributed memory systems along with shared memory algorithms. As a first pass, we derive an artificial CFL condition that enforces a nearest-neighbor communication pattern and briefly discuss possible generalizations. We also analyze several approaches for implementing the parallel algorithms by optimizing predominant loop structures and maximizing data reuse. Using a hybrid design that employs MPI and Kokkos for the distributed and shared memory components of the algorithms, respectively, we show that our methods are efficient and can sustain an update rate $> 1times10^8$ DOF/node/s. We provide results that demonstrate the scalability and versatility of our algorithms using several different PDE test problems, including a nonlinear example, which employs an adaptive time-stepping rule.
Spectral induced polarization (SIP) is a non-intrusive geophysical method that is widely used to detect sulfide minerals, clay minerals, metallic objects, municipal wastes, hydrocarbons, and salinity intrusion. However, SIP is a static method that cannot measure the dynamics of flow and solute/species transport in the subsurface. To capture these dynamics, the data collected with the SIP technique needs to be coupled with fluid flow and reactive-transport models. To our knowledge, currently, there is no simulator in the open-source literature that couples fluid flow, solute transport, and SIP process models to analyze geoelectrical signatures in a large-scale system. A massively parallel simulation framework (PFLOTRAN-SIP) was built to couple SIP data to fluid flow and solute transport processes. This framework built on the PFLOTRAN-E4D simulator that couples PFLOTRAN and E4D, without sacrificing computational performance. PFLOTRAN solves the coupled flow and solute transport process models to estimate solute concentrations, which were used in Archies model to compute bulk electrical conductivities at near-zero frequency. These bulk electrical conductivities were modified using the Cole-Cole model to account for frequency dependence. Using the estimated frequency-dependent bulk conductivities, E4D simulated the real and complex electrical potential signals for selected frequencies for SIP. The PFLOTRAN-SIP framework was demonstrated through a synthetic tracer-transport model simulating tracer concentration and electrical impedances for four frequencies. Later, SIP inversion estimated bulk electrical conductivities by matching electrical impedances for each specified frequency. The estimated bulk electrical conductivities were consistent with the simulated tracer concentrations from the PFLOTRAN-SIP forward model.
Computing plays an essential role in all aspects of high energy physics. As computational technology evolves rapidly in new directions, and data throughput and volume continue to follow a steep trend-line, it is important for the HEP community to develop an effective response to a series of expected challenges. In order to help shape the desired response, the HEP Forum for Computational Excellence (HEP-FCE) initiated a roadmap planning activity with two key overlapping drivers -- 1) software effectiveness, and 2) infrastructure and expertise advancement. The HEP-FCE formed three working groups, 1) Applications Software, 2) Software Libraries and Tools, and 3) Systems (including systems software), to provide an overview of the current status of HEP computing and to present findings and opportunities for the desired HEP computational roadmap. The fin
Lattice Boltzmann methods are a popular mesoscopic alternative to macroscopic computational fluid dynamics solvers. Many variants have been developed that vary in complexity, accuracy, and computational cost. Extensions are available to simulate multi-phase, multi-component, turbulent, or non-Newtonian flows. In this work we present lbmpy, a code generation package that supports a wide variety of different methods and provides a generic development environment for new schemes as well. A high-level domain-specific language allows the user to formulate, extend and test various lattice Boltzmann schemes. The method specification is represented in a symbolic intermediate representation. Transformations that operate on this intermediate representation optimize and parallelize the method, yielding highly efficient lattice Boltzmann compute kernels not only for single- and two-relaxation-time schemes but also for multi-relaxation-time, cumulant, and entropically stabilized methods. An integration into the HPC framework waLBerla makes massively parallel, distributed simulations possible, which is demonstrated through scaling experiments on the SuperMUC-NG supercomputing system
This article demonstrates the applicability of the parallel-in-time method Parareal to the numerical solution of the Einstein gravity equations for the spherical collapse of a massless scalar field. To account for the shrinking of the spatial domain in time, a tailored load balancing scheme is proposed and compared to load balancing based on number of time steps alone. The performance of Parareal is studied for both the sub-critical and black hole case; our experiments show that Parareal generates substantial speedup and, in the super-critical regime, can reproduce Choptuiks black hole mass scaling law.
This paper focuses on coordinate update methods, which are useful for solving problems involving large or high-dimensional datasets. They decompose a problem into simple subproblems, where each updates one, or a small block of, variables while fixing others. These methods can deal with linear and nonlinear mappings, smooth and nonsmooth functions, as well as convex and nonconvex problems. In addition, they are easy to parallelize. The great performance of coordinate update methods depends on solving simple sub-problems. To derive simple subproblems for several new classes of applications, this paper systematically studies coordinate-friendly operators that perform low-cost coordinate updates. Based on the discovered coordinate friendly operators, as well as operator splitting techniques, we obtain new coordinate update algorithms for a variety of problems in machine learning, image processing, as well as sub-areas of optimization. Several problems are treated with coordinate update for the first time in history. The obtained algorithms are scalable to large instances through parallel and even asynchronous computing. We present numerical examples to illustrate how effective these algorithms are.