Related papers: Portable multi-node LQCD Monte Carlo simulations u…
In this work we use the GPU porting task for the operative Japanese weather prediction model "ASUCA" as an opportunity to examine productivity issues with OpenACC when applied to structured grid problems. We then propose "Hybrid Fortran",…
This paper describes how we successfully used the HPX programming model to port the DCA++ application on multiple architectures that include POWER9, x86, ARM v8, and NVIDIA GPUs. We describe the lessons we can learn from this experience as…
High Performance Computing (HPC) on hybrid clusters represents a significant opportunity for Computational Fluid Dynamics (CFD), especially when modern accelerators are utilized effectively. However, despite the widespread adoption of GPUs,…
In recent years the computational capacity of single Field Programmable Gate Arrays (FPGA) devices as well as their versatility has increased significantly. Adding to that the High Level Synthesis frameworks allowing to program such…
As the size of engineered systems grows, problems in reliability theory can become computationally challenging, often due to the combinatorial growth in the cut sets. In this paper we demonstrate how Multilevel Monte Carlo (MLMC) - a…
Quantum computers, with parallel computing and entanglement effects, excel in cryptography analysis and big data processing. However, they are not fully developed yet, and their performance needs further evaluation. Traditional computer…
Many scientific computations need multi-node parallelism for matching up both space (memory) and time (speed) ever-increasing requirements. The use of GPUs as accelerators introduces yet another level of complexity for the programmer and…
Performance modeling of parallel applications on multicore computers remains a challenge in computational co-design due to the complex design of multicore processors including private and shared memory hierarchies. We present a Scalable…
In drug discovery, molecular docking is the task in charge of estimating the position of a molecule when interacting with the docking site. This task is usually used to perform screening of a large library of molecules, in the early phase…
We present the Lattice QCD application CL2QCD, which is based on OpenCL and can be utilized to run on Graphic Processing Units as well as on common CPUs. We focus on implementation details as well as performance results of selected…
To achieve high performance on modern computers, it is vital to map algorithmic parallelism to that inherent in the hardware. From an application developer's perspective, it is also important that code can be maintained in a portable manner…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
The past few years have seen considerable progress in algorithmic development for the generation of gauge fields including the effects of dynamical fermions. The Rational Hybrid Monte Carlo (RHMC) algorithm, where Hybrid Monte Carlo is…
GPUs are the heart of the latest generations of supercomputers. We efficiently accelerate a compressible multiphase flow solver via OpenACC on NVIDIA and AMD Instinct GPUs. Optimization is accomplished by specifying the directive clauses…
Matrix Distributed Processing (MDP) is a C++ library for fast development of efficient parallel algorithms. It constitues the core of FermiQCD. MDP enables programmers to focus on algorithms, while parallelization is dealt with…
Quantum computing is a promising way to systematically solve the longstanding computational problem, the ground state of a many-body fermion system. Many efforts have been made to realise certain forms of quantum advantage in this problem,…
GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an…
This paper consists of three parts. The first part provides a unified programming model for heterogeneous computing with CPU and accelerator (like GPU, FPGA, Google TPU, Atos QPU, and more) technologies. To some extent, this new programming…
Various strategies to implement efficiently QMC simulations for large chemical systems are presented. These include: i.) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel…
Monte Carlo / Dynamic Code (MC/DC) is a portable Monte Carlo neutron transport package for rapid numerical methods exploration in heterogeneous and HPC contexts, developed under the auspices of the Center for Exascale Monte Carlo Neutron…