J
Jarek Nieplocha
Researcher at Pacific Northwest National Laboratory
Publications - 73
Citations - 7939
Jarek Nieplocha is an academic researcher from Pacific Northwest National Laboratory. The author has contributed to research in topics: Global Arrays & Shared memory. The author has an hindex of 23, co-authored 73 publications receiving 7329 citations. Previous affiliations of Jarek Nieplocha include Environmental Molecular Sciences Laboratory & Ohio State University.
Papers
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Journal ArticleDOI
NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
Marat Valiev,Eric J. Bylaska,Niranjan Govind,Karol Kowalski,T.P. Straatsma,H. J. J. van Dam,Dunyou Wang,Jarek Nieplocha,Edoardo Aprà,Theresa L. Windus,W. A. de Jong +10 more
TL;DR: An overview of NWChem is provided focusing primarily on the core theoretical modules provided by the code and their parallel performance, as well as Scalable parallel implementations and modular software design enable efficient utilization of current computational architectures.
Journal ArticleDOI
High performance computational chemistry: An overview of NWChem a distributed parallel application
Ricky A. Kendall,Edoardo Aprà,David E. Bernholdt,Eric J. Bylaska,Michel Dupuis,George I. Fann,Robert W. Harrison,Jialin Ju,Jeffrey A. Nichols,Jarek Nieplocha,T.P. Straatsma,Theresa L. Windus,Adrian T. Wong +12 more
TL;DR: The design and some implementation details of the overall NWChem architecture facilitates rapid development and portability of fully distributed application modules and shows performance of a few of the modules within NWChem.
Journal ArticleDOI
Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit
Jarek Nieplocha,Bruce J. Palmer,Vinod Tipparaju,Manojkumar Krishnan,Harold E. Trease,Edoardo Aprà +5 more
TL;DR: Compatibility of GA with MPI enables the programmer to take advatage of the existing MPI software/libraries when available and appropriate, and demonstrates the attractiveness of using higher level abstractions to write parallel code.
Proceedings ArticleDOI
Scalable work stealing
TL;DR: This work investigates the design and scalability of work stealing on modern distributed memory systems and demonstrates high efficiency and low overhead when scaling to 8,192 processors for three benchmark codes: a producer-consumer benchmark, the unbalanced tree search benchmark, and a multiresolution analysis kernel.
Book ChapterDOI
ARMCI: A Portable Remote Memory Copy Libray for Ditributed Array Libraries and Compiler Run-Time Systems
Jarek Nieplocha,Bryan Carpenter +1 more
TL;DR: ARMCI provides one-sided communication capabilities for distributed array libraries and compiler run-time systems and supports remote memory copy, accumulate, and synchronization operations optimized for non-contiguous data transfers including strided and generalized UNIX I/O vector interfaces.