134 citations · 303 across the 14 of their papers we have counts for
16 papers
Validating LLM-Modernized Scientific Software Through Differential Fault Injection
Evan Coleman, Yuzhong Shen, Masha Sosonkina +1
Large language model (LLM) agents are increasingly used to modernize the legacy Fortran underlying production scientific software, but validation of these transformations emphasize…
An Agentic Workflow for Legacy HPC Modernization: Converting the Two-Electron-Integral Core of GAMESS
Yuzhong Shen, Masha Sosonkina, Peng Xu +1
Modernizing legacy Fortran is a problem of volume: the transformations are individually routine, but the codebases can be enormous, and across much of computational science the wor…
Fault Tolerance of Accelerated Asynchronous Fixed-Point Iterations on Flexible Computing Infrastructure
Evan Coleman, Masha Sosonkina
Asynchronous iterative methods tolerate straggling processors by allowing workers to proceed with stale data, but at a cost: the iterates become inconsistent, potentially degrading…
Heterogeneous Graph Backdoor Attack
Jiawei Chen, Lusi Li, Daniel Takabi +2
Heterogeneous Graph Neural Networks (HGNNs) excel in modeling complex, multi-typed relationships across diverse domains, yet their vulnerability to backdoor attacks remains unexplo…
Parallel solution of saddle point systems with nested iterative solvers based on the Golub-Kahan Bidiagonalization
Carola Kruse, Masha Sosonkina, Mario Arioli +2
We present a scalability study of Golub-Kahan bidiagonalization for the parallel iterative solution of symmetric indefinite linear systems with a 2x2 block structure. The algorithm…
Daejeon16 NN Interaction
Y. Kim, I. J. Shin, A. M. Shirokov +3
We have developed a realistic nucleon-nucleon (NN) interaction, dubbed Daejeon16. We start from a SRG (similarity renormalization group) evolved chiral N3LO interaction. We then ap…
N3LO NN interaction adjusted to light nuclei in ab exitu approach
A. M. Shirokov, I. J. Shin, Y. Kim +3
We use phase-equivalent transformations to adjust off-shell properties of similarity renormalization group evolved chiral effective field theory NN interaction (Idaho N3LO) to fit…
Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei
T. Dytrych, P. Maris, K. D. Launey +7
We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computation…
Experimentation Procedure for Offloaded Mini-Apps Executed on Cluster Architectures with Xeon Phi Accelerators
Gary Lawson, Vaibhav Sundriyal, Masha Sosonkina +1
A heterogeneous cluster architecture is complex. It contains hundreds, or thousands of devices connected by a tiered communication system in order to solve a problem. As a heteroge…
Using the VBARMS method in parallel computing
Bruno Carpentieri, Jia Liao, Masha Sosonkina +1
The paper describes an improved parallel MPI-based implementation of VBARMS, a variable block variant of the pARMS preconditioner proposed by Li,~Saad and Sosonkina [NLAA, 2003] fo…
Ab Initio No Core Shell Model - Recent Results and Further Prospects
James P. Vary, Pieter Maris, Hugh Potter +14
There has been significant recent progress in solving the long-standing problems of how nuclear shell structure and collective motion emerge from underlying microscopic inter-nucle…
Towards Modeling Energy Consumption of Xeon Phi
Gary Lawson, Masha Sosonkina, Yuzhong Shen
In the push for exascale computing, energy efficiency is of utmost concern. System architectures often adopt accelerators to hasten application execution at the cost of power. The…
Accelerating Ab Initio Nuclear Physics Calculations with GPUs
Hugh Potter, Dossay Oryspayev, Pieter Maris +8
This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a pa…
Computational Nuclear Quantum Many-Body Problem: The UNEDF Project
Scott Bogner, Aurel Bulgac, Joseph A. Carlson +28
The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. UNEDF demonstrated that close association…
Graph partitioning using matrix values for preconditioning symmetric positive definite systems
Eugene Vecharynski, Yousef Saad, Masha Sosonkina
Prior to the parallel solution of a large linear system, it is required to perform a partitioning of its equations/unknowns. Standard partitioning algorithms are designed using the…
{\it Ab initio} nuclear structure - the large sparse matrix eigenvalue problem
James P. Vary, Pieter Maris, Esmond Ng +2
The structure and reactions of light nuclei represent fundamental and formidable challenges for microscopic theory based on realistic strong interaction potentials. Several {\it ab…