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In this paper we present the Task-Aware MPI library (TAMPI) that integrates both blocking and non-blocking MPI primitives with task-based programming models. The TAMPI library leverages two new runtime APIs to improve both programmability…
We revisit an algorithm constructing elliptic tori, that was originally designed for applications to planetary hamiltonian systems. The scheme is adapted to properly work with models of chains of $N+1$ particles interacting via anharmonic…
With the ever-increasing computing power of supercomputers and the growing scale of scientific applications, the efficiency of MPI collective communication turns out to be a critical bottleneck in large-scale distributed and parallel…
Factorization Machines (FM) are powerful class of models that incorporate higher-order interaction among features to add more expressive power to linear models. They have been used successfully in several real-world tasks such as…
Scalable QR factorization algorithms for solving least squares and eigenvalue problems are critical given the increasing parallelism within modern machines. We introduce a more general parallelization of the CholeskyQR2 algorithm and show…
Prime compilation, i.e., the generation of all prime implicates or implicants (primes for short) of formulae, is a prominent fundamental issue for AI. Recently, the prime compilation for non-clausal formulae has received great attention.…
Traditional parallel schedulers running on cluster supercomputers support only static scheduling, where the number of processors allocated to an application remains fixed throughout the execution of the job. This results in…
We present hybrid OpenMP/MPI (Open Multi-Processing/Message Passing Interface) parallelized versions of earlier published C programs (D. Vudragovic et al., Comput. Phys. Commun. 183, 2021 (2012)) for calculating both stationary and…
We present our recent code modernizations of the of the ab initio molecular dynamics program CPMD (www.cpmd.org) with a special focus on the ultra-soft pseudopotential (USPP) code path. Following the internal instrumentation of CPMD, all…
This paper considers an $N$-server distributed computing setting with $K$ users requesting functions that are arbitrary multivariable polynomial evaluations of $L$ real (potentially non-linear) basis subfunctions, where each function output…
Parallel scan primitives compute element-wise inclusive or exclusive prefix sums of input vectors contributed by $p$ consecutively ranked processors under an associative, binary operator $\oplus$. In message-passing systems with bounded,…
The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…
In this paper we present efficient algorithms for the computation of several invariant objects for Hamiltonian dynamics. More precisely, we consider KAM tori (i.e diffeomorphic copies of the torus such that the motion on them is conjugated…
MatlabMPI is a Matlab implementation of the Message Passing Interface (MPI) standard and allows any Matlab program to exploit multiple processors. MatlabMPI currently implements the basic six functions that are the core of the MPI…
We present a new method for mapping applications' MPI tasks to cores of a parallel computer such that applications' communication time is reduced. We address the case of sparse node allocation, where the nodes assigned to a job are not…
We propose an algorithm that aims at minimizing the inter-node communication volume for distributed and memory-efficient tensor contraction schemes on modern multi-core compute nodes. The key idea is to define processor grids that optimize…
The multi-scale factor models are particularly appealing for analyzing matrix- or tensor-valued data, due to their adaptiveness to local geometry and intuitive interpretation. However, the reliance on the binary tree for recursive…
Tomlinson-Harashima precoding (THP) is a nonlinear processing technique employed at the transmit side to implement the concept of dirty paper coding (DPC). The perform of THP, however, is restricted by the dimensionality constraint that the…
The FFT of three-dimensional (3D) input data is an important computational kernel of numerical simulations and is widely used in High Performance Computing (HPC) codes running on a large number of processors. Performance of many scientific…
We present a simple hierarchical communication scheme for distributed Fast Multipole Methods (FMMs) based on MPI neighborhood collectives and uniform trees. The method targets the common case of extending an existing high-performance…