Publications

Liu, Yang, Wissam M. Sid-Lakhdar, Osni Marques, Xinran Zhu, Chang Meng, James W. Demmel, and Xiaoye S. Li. 2021. “GPTune.” Proceedings of the 26th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3437801.3441621.

Yamazaki, Ichitaro, Christian Glusa, Jennifer Loe, Piotr Luszczek, Sivasankaran Rajamanickam, and Jack Dongarra. 2022. “High-Performance GMRES Multi-Precision Benchmark: Design, Performance, and Challenges.” 2022 IEEE/ACM International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs56514.2022.00015.

Balos, Cody J., Piotr Luszczek, Sarah Osborn, James Willenbring, and Ulrike M. Yang. 2022. “Challenges of and Opportunities for a Large Diverse Software Team.” Computing in Science & Engineering 24 (3): 16–24. https://doi.org/10.1109/mcse.2022.3172873.

Kashi, Aditya, Pratik Nayak, Dhruva Kulkarni, Aaron Scheinberg, Paul Lin, and Hartwig Anzt. 2022. “Batched Sparse Iterative Solvers on GPU for the Collision Operator for Fusion Plasma Simulations.” 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps53621.2022.00024.

Zhu, Xinran, Yang Liu, Pieter Ghysels, David Bindel, and Xiaoye S. Li. 2022. “GPTuneBand: Multi-Task and Multi-Fidelity Autotuning for Large-Scale High Performance Computing Applications.” Proceedings of the 2022 SIAM Conference on Parallel Processing for Scientific Computing (PP), January, 1–13. https://doi.org/10.1137/1.9781611977141.1.

Aliaga, José I, Hartwig Anzt, Thomas Grützmacher, Enrique S Quintana-Ortí, and Andrés E Tomás. 2022. “Compressed Basis GMRES on High-Performance Graphics Processing Units.” The International Journal of High Performance Computing Applications, August, 109434202211151. https://doi.org/10.1177/10943420221115140.

Fasi, Massimiliano, Nicholas J. Higham, Florent Lopez, Theo Mary, and Mantas Mikaitis. 2023. “Matrix Multiplication in Multiword Arithmetic: Error Analysis and Application to GPU Tensor Cores.” SIAM Journal on Scientific Computing 45 (1): C1–19. https://doi.org/10.1137/21m1465032.

Li, Xiaoye S., Paul Lin, Yang Liu, and Piyush Sao. 2023. “Newly Released Capabilities in the Distributed-Memory SuperLU Sparse Direct Solver.” ACM Transactions on Mathematical Software 49 (1): 1–20. https://doi.org/10.1145/3577197.

Gardner, David J., Daniel R. Reynolds, Carol S. Woodward, and Cody J. Balos. 2022. “Enabling New Flexibility in the SUNDIALS Suite of Nonlinear and Differential/Algebraic Equation Solvers.” ACM Transactions on Mathematical Software 48 (3): 1–24. https://doi.org/10.1145/3539801.

Reynolds, Daniel R., David J. Gardner, Carol S. Woodward, and Rujeko Chinomona. 2023. “ARKODE: A Flexible IVP Solver Infrastructure for One-Step Methods.” ACM Transactions on Mathematical Software 49 (2): 1–26. https://doi.org/10.1145/3594632.

Falgout, Robert D., Ruipeng Li, Björn Sjögreen, Lu Wang, and Ulrike Meier Yang. 2021. “Porting Hypre to Heterogeneous Computer Architectures: Strategies and Experiences.” Parallel Computing 108 (December): 102840. https://doi.org/10.1016/j.parco.2021.102840.

Huber, Thomas, Swaroop Pophale, Nolan Baker, Michael Carr, Nikhil Rao, Jaydon Reap, Kristina Holsapple, et al. 2022. “ECP SOLLVE: Validation and Verification Testsuite Status Update and Compiler Insight for OpenMP.” 2022 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc56579.2022.00017.

Lu, Wenbin, Baodi Shan, Eric Raut, Jie Meng, Mauricio Araya-Polo, Johannes Doerfert, Abid M. Malik, and Barbara Chapman. 2022. “Towards Efficient Remote OpenMP Offloading.” Lecture Notes in Computer Science, 17–31. https://doi.org/10.1007/978-3-031-15922-0_2.

Shan, Baodi, Mauricio Araya-Polo, Abid M. Malik, and Barbara Chapman. 2023. “MPI-Based Remote OpenMP Offloading: A More Efficient and Easy-to-Use Implementation.” Proceedings of the 14th International Workshop on Programming Models and Applications for Multicores and Manycores, February. https://doi.org/10.1145/3582514.3582519.

Doerfert, Johannes, Atemn Patel, Joseph Huber, Shilei Tian, Jose M Monsalve Diaz, Barbara Chapman, and Giorgis Georgakoudis. 2022. “Co-Designing an OpenMP GPU Runtime and Optimizations for Near-Zero Overhead Execution.” 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps53621.2022.00055.

Tian, Shilei, Joseph Huber, John Tramm, Barbara Chapman, and Johannes Doerfert. 2022. “Just-in-Time Compilation and Link-Time Optimization for OpenMP Target Offloading.” Lecture Notes in Computer Science, 145–58. https://doi.org/10.1007/978-3-031-15922-0_10.

Tian, Shilei, Joseph Huber, Konstantinos Parasyris, Barbara Chapman, and Johannes Doerfert. 2022. “Direct GPU Compilation and Execution for Host Applications with OpenMP Parallelism.” 2022 IEEE/ACM Eighth Workshop on the LLVM Compiler Infrastructure in HPC (LLVM-HPC), November. https://doi.org/10.1109/llvm-hpc56686.2022.00010.

Guaitero, Rafael A. Herrera, Jose M Monsalve Diaz, Thomas Applencourt, Xiaoming Li, and Johannes Doerfert. 2022. “Automatic Asynchronous Execution of Synchronously Offloaded OpenMP Target Regions.” 2022 IEEE/ACM Eighth Workshop on the LLVM Compiler Infrastructure in HPC (LLVM-HPC), November. https://doi.org/10.1109/llvm-hpc56686.2022.00008.

Doerfert, Johannes, Marc Jasper, Joseph Huber, Khaled Abdelaal, Giorgis Georgakoudis, Thomas Scogland, and Konstantinos Parasyris. 2022. “Breaking the Vendor Lock.” Proceedings of the International Conference on Parallel Architectures and Compilation Techniques, October. https://doi.org/10.1145/3559009.3569687.

Talaashrafi, Delaram, Marc Moreno Maza, and Johannes Doerfert. 2022. “Towards Automatic OpenMP-Aware Utilization of Fast GPU Memory.” Lecture Notes in Computer Science, 67–80. https://doi.org/10.1007/978-3-031-15922-0_5.

Talaashrafi, Delaram, Johannes Doerfert, and Marc Moreno Maza. 2022. “A Pipeline Pattern Detection Technique in Polly.” Workshop Proceedings of the 51st International Conference on Parallel Processing, August. https://doi.org/10.1145/3547276.3548445.

Suchyta, Eric, Jong Youl Choi, Seung-Hoe Ku, David Pugmire, Ana Gainaru, Kevin Huck, Ralph Kube, et al. 2022. “Hybrid Analysis of Fusion Data for Online Understanding of Complex Science on Extreme Scale Computers.” 2022 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster51413.2022.00035.

Hussain, Shahid, Kaley Chicoine, and Boyana Norris. 2021. “Empirical Investigation of Code Quality Rule Violations in HPC Applications.” Evaluation and Assessment in Software Engineering, June. https://doi.org/10.1145/3463274.3463787.

Adams, Mark, Satish Balay, Oana Marin, Lois Curfman McInnes, Richard Tran Mills, Todd Munson, Hong Zhang, et al. 2022. “The PETSc Community as Infrastructure.” Computing in Science & Engineering 24 (3): 6–15. https://doi.org/10.1109/mcse.2022.3169974.

Pandey, Santosh, Xiaoye Sherry Li, Aydin Buluc, Jiejun Xu, and Hang Liu. 2019. “H-INDEX: Hash-Indexing for Parallel Triangle Counting on GPUs.” 2019 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2019.8916492.

Haidar, Azzam, Heike Jagode, Phil Vaccaro, Asim YarKhan, Stanimire Tomov, and Jack Dongarra. 2018. “Investigating Power Capping toward Energy‐efficient Scientific Applications.” Concurrency and Computation: Practice and Experience 31 (6). https://doi.org/10.1002/cpe.4485.

Bronkhorst, C.A., J.R. Mayeur, V. Livescu, R. Pokharel, D.W. Brown, and G.T. Gray. 2019. “Structural Representation of Additively Manufactured 316L Austenitic Stainless Steel.” International Journal of Plasticity 118 (July): 70–86. https://doi.org/10.1016/j.ijplas.2019.01.012.

Patabandi, Tharindu R., and Mary Hall. 2023. “Efficiently Learning Locality Optimizations by Decomposing Transformation Domains.” Proceedings of the 32nd ACM SIGPLAN International Conference on Compiler Construction, February. https://doi.org/10.1145/3578360.3580272.

Min, Misun, Yu-Hsiang Lan, Paul Fischer, Elia Merzari, Stefan Kerkemeier, Malachi Phillips, Thilina Rathnayake, et al. 2022. “Optimization of Full-Core Reactor Simulations on Summit.” SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41404.2022.00079.

McCoy, Hunter, Steven Hofmeyr, Katherine Yelick, and Prashant Pandey. 2023. “High-Performance Filters for GPUs.” Proceedings of the 28th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3572848.3577507.

Jin, Sian, Dingwen Tao, Houjun Tang, Sheng Di, Suren Byna, Zarija Lukic, and Franck Cappello. 2022. “Accelerating Parallel Write via Deeply Integrating Predictive Lossy Compression with HDF5.” SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41404.2022.00066.

Dutta, Soumya, Dan Lipsa, Terece L. Turton, Berk Geveci, and James Ahrens. 2022. “In Situ Analysis and Visualization of Extreme-Scale Particle Simulations.” High Performance Computing. ISC High Performance 2022 International Workshops, 283–94. https://doi.org/10.1007/978-3-031-23220-6_19.

Bauer, Michael, Elliott Slaughter, Sean Treichler, Wonchan Lee, Michael Garland, and Alex Aiken. 2023. “Visibility Algorithms for Dynamic Dependence Analysis and Distributed Coherence.” Proceedings of the 28th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3572848.3577515.

Barca, Giuseppe M. J., Calum Snowdon, Jorge L. Galvez Vallejo, Fazeleh Kazemian, Alistair P. Rendell, and Mark S. Gordon. 2022. “Scaling Correlated Fragment Molecular Orbital Calculations on Summit.” SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41404.2022.00012.

Abdelfattah, Ahmad, Pieter Ghysels, Wajih Boukaram, Stanimire Tomov, Xiaoye Sherry Li, and Jack Dongarra. 2022. “Addressing Irregular Patterns of Matrix Computations on GPUs and Their Impact on Applications Powered by Sparse Direct Solvers.” SC22: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41404.2022.00031.

Biswas, Ayan, James P. Ahrens, Soumya Dutta, Jordan M. Musser, Ann S. Almgren, and Terece L. Turton. 2021. “Feature Analysis, Tracking, and Data Reduction: An Application to Multiphase Reactor Simulation MFiX-Exa for In-Situ Use Case.” Computing in Science & Engineering 23 (1): 75–82. https://doi.org/10.1109/mcse.2020.3016927.

Fedeli, Luca, Neïl Zaïm, Antonin Sainte-Marie, Maxence Thévenet, Axel Huebl, Andrew Myers, Jean-Luc Vay, and Henri Vincenti. 2022. “PICSAR-QED: A Monte Carlo Module to Simulate Strong-Field Quantum Electrodynamics in Particle-in-Cell Codes for Exascale Architectures.” New Journal of Physics 24 (2): 025009. https://doi.org/10.1088/1367-2630/ac4ef1.

Hakimi, Sahel, Lieselotte Obst-Huebl, Axel Huebl, Kei Nakamura, Stepan S. Bulanov, Sven Steinke, Wim P. Leemans, et al. 2022. “Laser–Solid Interaction Studies Enabled by the New Capabilities of the IP2 BELLA PW Beamline.” Physics of Plasmas 29 (8): 083102. https://doi.org/10.1063/5.0089331.

Lehe, Remi, Aurore Blelly, Lorenzo Giacomel, Revathi Jambunathan, and Jean-Luc Vay. 2022. “Absorption of Charged Particles in Perfectly Matched Layers by Optimal Damping of the Deposited Current.” Physical Review E 106 (4). https://doi.org/10.1103/physreve.106.045306.

Zhao, Y., R. Lehe, A. Myers, M. Thévenet, A. Huebl, C. B. Schroeder, and J.-L. Vay. 2022. “Plasma Electron Contribution to Beam Emittance Growth from Coulomb Collisions in Plasma-Based Accelerators.” Physics of Plasmas 29 (10): 103109. https://doi.org/10.1063/5.0102919.

Blanchard, Andrew E., Mayanka Chandra Shekar, Shang Gao, John Gounley, Isaac Lyngaas, Jens Glaser, and Debsindhu Bhowmik. 2022. “Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model.” IEEE Transactions on Evolutionary Computation 26 (4): 793–99. https://doi.org/10.1109/tevc.2022.3144045.

Blanchard, Andrew E, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, Junqi Yin, Aristeidis Tsaris, Feiyi Wang, and Jens Glaser. 2022. “Language Models for the Prediction of SARS-CoV-2 Inhibitors.” The International Journal of High Performance Computing Applications 36 (5–6): 587–602. https://doi.org/10.1177/10943420221121804.

Chabanier, Solène, J D Emberson, Zarija Lukić, Jesus Pulido, Salman Habib, Esteban Rangel, Jean Sexton, Nicholas Frontiere, and Michael Buehlmann. 2022. “Modelling the Lyman-α Forest with Eulerian and SPH Hydrodynamical Methods.” Monthly Notices of the Royal Astronomical Society 518 (3): 3754–76. https://doi.org/10.1093/mnras/stac3294.

Emberson, J. D., Nicholas Frontiere, Salman Habib, Katrin Heitmann, Patricia Larsen, Hal Finkel, and Adrian Pope. 2019. “The Borg Cube Simulation: Cosmological Hydrodynamics with CRK-SPH.” The Astrophysical Journal 877 (2): 85. https://doi.org/10.3847/1538-4357/ab1b31.

Frontiere, Nicholas, J. D. Emberson, Michael Buehlmann, Joseph Adamo, Salman Habib, Katrin Heitmann, and Claude-André Faucher-Giguère. 2023. “Simulating Hydrodynamics in Cosmology with CRK-HACC.” The Astrophysical Journal Supplement Series 264 (2): 34. https://doi.org/10.3847/1538-4365/aca58d.

Satkauskas, Ignas, Jonathan Maack, Matthew Reynolds, Devon Sigler, Kinshuk Panda, and Wesley Jones. 2022. “Simulating Impacts of Extreme Events on Grids with High Penetrations of Wind Power Resources.” 2022 IEEE/PES Transmission and Distribution Conference and Exposition (T&D), April. https://doi.org/10.1109/td43745.2022.9816884.

Reynolds, Matthew, Ignas Satkauskas, Jonathan Maack, Devon Sigler, and Wesley Jones. 2020. “Scenario Creation and Power-Conditioning Strategies for Operating Power Grids with Two-Stage Stochastic Economic Dispatch.” 2020 IEEE Power & Energy Society General Meeting (PESGM), August. https://doi.org/10.1109/pesgm41954.2020.9281609.

Reynolds, Matthew, Ignas Satkauskas, Jonathan Maack, Devon Sigler, and Wesley Jones. 2020. “Scenario Creation and Power-Conditioning Strategies for Operating Power Grids with Two-Stage Stochastic Economic Dispatch.” 2020 IEEE Power & Energy Society General Meeting (PESGM), August. https://doi.org/10.1109/pesgm41954.2020.9281609.

Rao, Vishwas, Anirudh Subramanyam, Michel Schanen, Youngdae Kim, Ignas Satkauskas, and Mihai Anitescu. 2022. “Frequency Recovery in Power Grids Using High-Performance Computing.” Workshop Proceedings of the 51st International Conference on Parallel Processing, August. https://doi.org/10.1145/3547276.3548632.

Pacaud, François, Michel Schanen, Daniel Adrian Maldonado, Alexis Montoison, Valentin Churavy, Julian Samaroo, and Mihai Anitescu. 2022. “Batched Second-Order Adjoint Sensitivity for Reduced Space Methods.” Proceedings of the 2022 SIAM Conference on Parallel Processing for Scientific Computing (PP), January, 60–71. https://doi.org/10.1137/1.9781611977141.6.

Kim, Youngdae, and Kibaek Kim. 2022. “Accelerated Computation and Tracking of AC Optimal Power Flow Solutions Using GPUs.” Workshop Proceedings of the 51st International Conference on Parallel Processing, August. https://doi.org/10.1145/3547276.3548631.

Świrydowicz, Kasia, Eric Darve, Wesley Jones, Jonathan Maack, Shaked Regev, Michael A. Saunders, Stephen J. Thomas, and Slaven Peleš. 2022. “Linear Solvers for Power Grid Optimization Problems: A Review of GPU-Accelerated Linear Solvers.” Parallel Computing 111 (July): 102870. https://doi.org/10.1016/j.parco.2021.102870.

Wang, Jingyi, Nai-Yuan Chiang, and Cosmin G. Petra. 2021. “An Asynchronous Distributed-Memory Optimization Solver for Two-Stage Stochastic Programming Problems.” 2021 20th International Symposium on Parallel and Distributed Computing (ISPDC), July. https://doi.org/10.1109/ispdc52870.2021.9521613.

Bertagna, Luca, Oksana Guba, Mark A. Taylor, James G. Foucar, Jeff Larkin, Andrew M. Bradley, Sivasankaran Rajamanickam, and Andrew G. Salinger. 2020. “A Performance-Portable Nonhydrostatic Atmospheric Dycore for the Energy Exascale Earth System Model Running at Cloud-Resolving Resolutions.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00096.

Hannah, Walter, Kyle Pressel, Mikhail Ovchinnikov, and Gregory Elsaesser. 2022. “Checkerboard Patterns in E3SMv2 and E3SM-MMFv2.” Geoscientific Model Development 15 (15): 6243–57. https://doi.org/10.5194/gmd-15-6243-2022.

Pajkos, Michael A., MacKenzie L. Warren, Sean M. Couch, Evan P. O’Connor, and Kuo-Chuan Pan. 2021. “Determining the Structure of Rotating Massive Stellar Cores with Gravitational Waves.” The Astrophysical Journal 914 (2): 80. https://doi.org/10.3847/1538-4357/abfb65.

Laiu, M. Paul, Eirik Endeve, Ran Chu, J. Austin Harris, and O. E. Bronson Messer. 2021. “A DG-IMEX Method for Two-Moment Neutrino Transport: Nonlinear Solvers for Neutrino–Matter Coupling*.” The Astrophysical Journal Supplement Series 253 (2): 52. https://doi.org/10.3847/1538-4365/abe2a8.

Zingale, M., M. P. Katz, D. E. Willcox, and A. Harpole. 2021. “Practical Effects of Integrating Temperature with Strang Split Reactions.” Research Notes of the AAS 5 (4): 71. https://doi.org/10.3847/2515-5172/abf3cb.

Zingale, M., M. P. Katz, J. B. Bell, M. L. Minion, A. J. Nonaka, and W. Zhang. 2019. “Improved Coupling of Hydrodynamics and Nuclear Reactions via Spectral Deferred Corrections.” The Astrophysical Journal 886 (2): 105. https://doi.org/10.3847/1538-4357/ab4e1d.

Dubey, Anshu, Klaus Weide, Jared O’Neal, Akash Dhruv, Sean Couch, J. Austin Harris, Tom Klosterman, et al. 2022. “Flash-X: A Multiphysics Simulation Software Instrument.” SoftwareX 19 (July): 101168. https://doi.org/10.1016/j.softx.2022.101168.

Mezzacappa, Anthony, Eirik Endeve, O. E. Bronson Messer, and Stephen W. Bruenn. 2020. “Physical, Numerical, and Computational Challenges of Modeling Neutrino Transport in Core-Collapse Supernovae.” Living Reviews in Computational Astrophysics 6 (1). https://doi.org/10.1007/s41115-020-00010-8.

Yadav, Rohan, Alex Aiken, and Fredrik Kjolstad. 2022. “DISTAL: The Distributed Tensor Algebra Compiler.” Proceedings of the 43rd ACM SIGPLAN International Conference on Programming Language Design and Implementation, June. https://doi.org/10.1145/3519939.3523437.

Slaughter, Elliott, Wei Wu, Yuankun Fu, Legend Brandenburg, Nicolai Garcia, Wilhem Kautz, Emily Marx, et al. 2020. “Task Bench: A Parameterized Benchmark for Evaluating Parallel Runtime Performance.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00066.

Ferdous, S M, Alex Pothen, Arif Khan, Ajay Panyala, and Mahantesh Halappanavar. 2021. “A Parallel Approximation Algorithm for Maximizing Submodular b-Matching.” SIAM Conference on Applied and Computational Discrete Algorithms (ACDA21), January, 45–56. https://doi.org/10.1137/1.9781611976830.5.

Norman, Matthew, Isaac Lyngaas, Abhishek Bagusetty, and Mark Berrill. 2022. “Portable C++ Code That Can Look and Feel Like Fortran Code with Yet Another Kernel Launcher (YAKL).” International Journal of Parallel Programming, December. https://doi.org/10.1007/s10766-022-00739-0.

Yang, Qiu, Walter M. Hannah, and L. Ruby Leung. 2022. “Convective Momentum Transport and Its Impact on the Madden‐Julian Oscillation in E3SM‐MMF.” Journal of Advances in Modeling Earth Systems 14 (11). https://doi.org/10.1029/2022ms003206.

Lin, Guangxing, L. Ruby Leung, Jungmin Lee, Bryce E. Harrop, Ian T. Baker, Mark D. Branson, A. Scott Denning, et al. 2023. “Modeling Land‐Atmosphere Coupling at Cloud‐Resolving Scale Within the Multiple Atmosphere Multiple Land (MAML) Framework in SP‐E3SM.” Journal of Advances in Modeling Earth Systems 15 (2). https://doi.org/10.1029/2022ms003101.

Cao, Qinglei, George Bosilca, Wei Wu, Dong Zhong, Aurelien Bouteiller, and Jack Dongarra. 2020. “Flexible Data Redistribution in a Task-Based Runtime System.” 2020 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster49012.2020.00032.

Schuchart, Joseph, Poornima Nookala, Mohammad Mahdi Javanmard, Thomas Herault, Edward F. Valeev, George Bosilca, and Robert J. Harrison. 2022. “Generalized Flow-Graph Programming Using Template Task-Graphs: Initial Implementation and Assessment.” 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps53621.2022.00086.

Al-Herz, Ahmed, and Alex Pothen. 2022. “A 2/3-Approximation Algorithm for Vertex-Weighted Matching.” Discrete Applied Mathematics 308 (February): 46–67. https://doi.org/10.1016/j.dam.2019.09.013.

Chen, Xinyu, Marco Minutoli, Jiannan Tian, Mahantesh Halappanavar, Ananth Kalyanaraman, and Dingwen Tao. 2022. “HBMax.” Proceedings of the International Conference on Parallel Architectures and Compilation Techniques, October. https://doi.org/10.1145/3559009.3569647.

Liu, Xu, Andrew Lumsdaine, Mahantesh Halappanavar, Kevin Barker, and Assefaw Gebremedhin. 2022. “Direction-Optimizing Label Propagation Framework for Structure Detection in Graphs: Design, Implementation, and Experimental Analysis.” ACM Journal of Experimental Algorithmics 27 (December): 1–31. https://doi.org/10.1145/3564593.

Wheatman, Brian, Randal Burns, Aydın Buluç, and Helen Xu. 2023. “Optimizing Search Layouts in Packed Memory Arrays.” 2023 Proceedings of the Symposium on Algorithm Engineering and Experiments (ALENEX), January, 148–61. https://doi.org/10.1137/1.9781611977561.ch13.

Goldenberg, Steven, Andreas Stathopoulos, and Eloy Romero. 2019. “A Golub--Kahan Davidson Method for Accurately Computing a Few Singular Triplets of Large Sparse Matrices.” SIAM Journal on Scientific Computing 41 (4): A2172–92. https://doi.org/10.1137/18m1222004.

Switzer, Heather M., Andreas Stathopoulos, Eloy Romero, Jesse Laeuchli, and Kostas Orginos. 2022. “Probing for the Trace Estimation of a Permuted Matrix Inverse Corresponding to a Lattice Displacement.” SIAM Journal on Scientific Computing 44 (4): B1096–1121. https://doi.org/10.1137/21m1422495.

Wang, Qihan, Bin Ren, Jie Chen, and Robert G. Edwards. 2022. “MICCO: An Enhanced Multi-GPU Scheduling Framework for Many-Body Correlation Functions.” 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps53621.2022.00022.

Boyle, Peter A., M.A. Clark, Carleton DeTar, Meifeng Lin, Verinder Rana, and Alejandro Vaquero Avilés-Casco. 2018. “Performance Portability Strategies for Grid C++ Expression Templates.” Edited by M. Della Morte, P. Fritzsch, E. Gámiz Sánchez, and C. Pena Ruano. EPJ Web of Conferences 175: 09006. https://doi.org/10.1051/epjconf/201817509006.

Brower, Richard, Norman Christ, Carleton DeTar, Robert Edwards, and Paul Mackenzie. 2018. “Lattice QCD Application Development within the US DOE Exascale Computing Project.” Edited by M. Della Morte, P. Fritzsch, E. Gámiz Sánchez, and C. Pena Ruano. EPJ Web of Conferences 175: 09010. https://doi.org/10.1051/epjconf/201817509010.

Westheimer, Bryce M., and Mark S. Gordon. 2022. “General, Rigorous Approach for the Treatment of Interfragment Covalent Bonds.” The Journal of Physical Chemistry A 126 (39): 6995–7006. https://doi.org/10.1021/acs.jpca.2c04015.

Barca, Giuseppe M. J., Melisa Alkan, Jorge L. Galvez-Vallejo, David L. Poole, Alistair P. Rendell, and Mark S. Gordon. 2021. “Faster Self-Consistent Field (SCF) Calculations on GPU Clusters.” Journal of Chemical Theory and Computation 17 (12): 7486–7503. https://doi.org/10.1021/acs.jctc.1c00720.

Chapman, Barbara, Buu Pham, Charlene Yang, Christopher Daley, Colleen Bertoni, Dhruva Kulkarni, Dossay Oryspayev, et al. 2021. “Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part I).” Lecture Notes in Computer Science, 67–80. https://doi.org/10.1007/978-3-030-85262-7_5.

Sundriyal, Vaibhav, Masha Sosonkina, David Poole, and Mark S. Gordon. 2020. “Runtime Power Allocation Approach for GAMESS Hybrid CPU‐GPU Implementation.” Concurrency and Computation: Practice and Experience 32 (24). https://doi.org/10.1002/cpe.5917.

Pham, Buu Q., and Mark S. Gordon. 2020. “Development of the FMO/RI-MP2 Fully Analytic Gradient Using a Hybrid-Distributed/Shared Memory Programming Model.” Journal of Chemical Theory and Computation 16 (2): 1039–54. https://doi.org/10.1021/acs.jctc.9b01082.

Pham, Buu Q., and Mark S. Gordon. 2019. “Hybrid Distributed/Shared Memory Model for the RI-MP2 Method in the Fragment Molecular Orbital Framework.” Journal of Chemical Theory and Computation 15 (10): 5252–58. https://doi.org/10.1021/acs.jctc.9b00409.

Pham, Buu Q., and Mark S. Gordon. 2019. “Compressing the Four-Index Two-Electron Repulsion Integral Matrix Using the Resolution-of-the-Identity Approximation Combined with the Rank Factorization Approximation.” Journal of Chemical Theory and Computation 15 (4): 2254–64. https://doi.org/10.1021/acs.jctc.8b01256.

Peck, Ariana, Hsing-Yin Chang, Antoine Dujardin, Deeban Ramalingam, Monarin Uervirojnangkoorn, Zhaoyou Wang, Adrian Mancuso, Frédéric Poitevin, and Chun Hong Yoon. 2022. “Skopi: A Simulation Package for Diffractive Imaging of Noncrystalline Biomolecules.” Journal of Applied Crystallography 55 (4): 1002–10. https://doi.org/10.1107/s1600576722005994.

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Kruse, Michael, and Hal Finkel. 2018. “User-Directed Loop-Transformations in Clang.” 2018 IEEE/ACM 5th Workshop on the LLVM Compiler Infrastructure in HPC (LLVM-HPC), November. https://doi.org/10.1109/llvm-hpc.2018.8639402.

Finkel, Hal, David Poliakoff, Jean-Sylvain Camier, and David F. Richards. 2019. “ClangJIT: Enhancing C++ with Just-in-Time Compilation.” 2019 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc49587.2019.00013.

Zhao, Tuowen, Samuel Williams, Mary Hall, and Hans Johansen. 2018. “Delivering Performance-Portable Stencil Computations on CPUs and GPUs Using Bricks.” 2018 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc.2018.00009.

Zhao, Tuowen, Protonu Basu, Samuel Williams, Mary Hall, and Hans Johansen. 2019. “Exploiting Reuse and Vectorization in Blocked Stencil Computations on CPUs and GPUs.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356210.

Denny, Joel E., Seyong Lee, and Jeffrey S. Vetter. 2018. “CLACC: Translating OpenACC to OpenMP in Clang.” 2018 IEEE/ACM 5th Workshop on the LLVM Compiler Infrastructure in HPC (LLVM-HPC), November. https://doi.org/10.1109/llvm-hpc.2018.8639349.

Belviranli, Mehmet E., and Jeffrey S. Vetter. 2019. “FLAME: Graph-Based Hardware Representations for Rapid and Precise Performance Modeling.” 2019 Design, Automation & Test in Europe Conference & Exhibition (DATE), March. https://doi.org/10.23919/date.2019.8747521.

Kim, Jungwon, and Jeffrey S Vetter. 2019. “Implementing Efficient Data Compression and Encryption in a Persistent Key-Value Store for HPC.” The International Journal of High Performance Computing Applications 33 (6): 1098–1112. https://doi.org/10.1177/1094342019847264.

Lambert, Jacob, Seyong Lee, Jeffrey S. Vetter, and Allen D. Malony. 2020. “CCAMP: An Integrated Translation and Optimization Framework for OpenACC and OpenMP.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00102.

Lambert, Jacob, Seyong Lee, Jeffrey S. Vetter, and Allen Malony. 2020. “In-Depth Optimization with the OpenACC-to-FPGA Framework on an Arria 10 FPGA.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00084.

Lambert, Jacob, Seyong Lee, Allen Malony, and Jeffrey S. Vetter. 2020. “CCAMP: OpenMP and OpenACC Interoperable Framework.” Lecture Notes in Computer Science, 357–69. https://doi.org/10.1007/978-3-030-48340-1_28.

Coti, Camille, Joel E. Denny, Kevin Huck, Seyong Lee, Allen D. Malony, Sameer Shende, and Jeffrey S. Vetter. 2020. “OpenACC Profiling Support for Clang and LLVM Using Clacc and TAU.” 2020 IEEE/ACM International Workshop on HPC User Support Tools (HUST) and Workshop on Programming and Performance Visualization Tools (ProTools), November. https://doi.org/10.1109/hustprotools51951.2020.00012.

Kolla, Hemanth, and Jacqueline H. Chen. 2017. “Turbulent Combustion Simulations with High-Performance Computing.” Modeling and Simulation of Turbulent Combustion, December, 73–97. https://doi.org/10.1007/978-981-10-7410-3_3.

Ge, Wenjun, and Ramanan Sankaran. 2019. “An Adaptive Particle Tracking Algorithm for Lagrangian-Eulerian Simulations of Dispersed Multiphase Flows.” AIAA Scitech 2019 Forum, January. https://doi.org/10.2514/6.2019-0728.

Martin, Michael J., Shashank Yellapantula, Marc Day, John B. Bell, and Ray W. Grout. 2019. “Impingement of a Supercritical Carbon Dioxide Jet on a Planar Surface.” AIAA Scitech 2019 Forum, January. https://doi.org/10.2514/6.2019-1559.

Klippenstein, Stephen J., and Carlo Cavallotti. 2019. “Ab Initio Kinetics for Pyrolysis and Combustion Systems.” Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, 115–67. https://doi.org/10.1016/b978-0-444-64087-1.00002-4.

Ge, Wenjun, Vimal Ramanuj, and Ramanan Sankaran. 2020. “Lagrangian Simulations of Spray Interaction with a Surface Using a Stochastic Multi-Regime Impingement Model.” AIAA Scitech 2020 Forum, January. https://doi.org/10.2514/6.2020-0910.

Martin, Michael James, Elizabeth G. Rasmussen, and Shashank Yellapantula. 2019. “Nonlinear Heat Transfer From Particles in Supercritical Carbon Dioxide Near the Critical Point.” Journal of Thermal Science and Engineering Applications 12 (3). https://doi.org/10.1115/1.4045222.

Elliott, Sarah N., Kevin B. Moore, Andreas V. Copan, Murat Keçeli, Carlo Cavallotti, Yuri Georgievskii, Henry F. Schaefer, and Stephen J. Klippenstein. 2021. “Automated Theoretical Chemical Kinetics: Predicting the Kinetics for the Initial Stages of Pyrolysis.” Proceedings of the Combustion Institute 38 (1): 375–84. https://doi.org/10.1016/j.proci.2020.06.019.

Hoque, Reazul, Thomas Herault, George Bosilca, and Jack Dongarra. 2017. “Dynamic Task Discovery in PaRSEC.” Proceedings of the 8th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems, November. https://doi.org/10.1145/3148226.3148233.

Poppl, Alexander, Scott Baden, and Michael Bader. 2019. “A UPC++ Actor Library and Its Evaluation On a Shallow Water Proxy Application.” 2019 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm49560.2019.00007.

Bonachea, Dan, and Paul H. Hargrove. 2019. “GASNet-EX: A High-Performance, Portable Communication Library for Exascale.” Lecture Notes in Computer Science, 138–58. https://doi.org/10.1007/978-3-030-34627-0_11.

Peng, Chong, Justus A. Calvin, and Edward F. Valeev. 2019. “Coupled‐cluster Singles, Doubles and Perturbative Triples with Density Fitting Approximation for Massively Parallel Heterogeneous Platforms.” International Journal of Quantum Chemistry 119 (12). https://doi.org/10.1002/qua.25894.

Kumar, Ashutosh, Frank Neese, and Edward F. Valeev. 2020. “Explicitly Correlated Coupled Cluster Method for Accurate Treatment of Open-Shell Molecules with Hundreds of Atoms.” The Journal of Chemical Physics 153 (9): 094105. https://doi.org/10.1063/5.0012753.

Dang, Hoang-Vu, and Marc Snir. 2018. “FULT.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225115.

Chunduri, Sudheer, Scott Parker, Pavan Balaji, Kevin Harms, and Kalyan Kumaran. 2018. “Characterization of MPI Usage on a Production Supercomputer.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00033.

Amer, Abdelhalim, Huiwei Lu, Pavan Balaji, Milind Chabbi, Yanjie Wei, Jeff Hammond, and Satoshi Matsuoka. 2018. “Lock Contention Management in Multithreaded MPI.” ACM Transactions on Parallel Computing 5 (3): 1–21. https://doi.org/10.1145/3275443.

Wilkins, Michael, Yanfei Guo, Rajeev Thakur, Nikos Hardavellas, Peter Dinda, and Min Si. 2021. “A FACT-Based Approach: Making Machine Learning Collective Autotuning Feasible on Exascale Systems.” 2021 Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi54564.2021.00010.

Lee, Wonchan, George Stelle, Patrick McCormick, and Alex Aiken. 2018. “Correctness of Dynamic Dependence Analysis for Implicitly Parallel Tasking Systems.” 2018 IEEE/ACM 2nd International Workshop on Software Correctness for HPC Applications (Correctness), November. https://doi.org/10.1109/correctness.2018.00007.

Lee, Wonchan, Elliott Slaughter, Michael Bauer, Sean Treichler, Todd Warszawski, Michael Garland, and Alex Aiken. 2018. “Dynamic Tracing: Memoization of Task Graphs for Dynamic Task-Based Runtimes.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00037.

Soi, Rupanshu, Michael Bauer, Sean Treichler, Manolis Papadakis, Wonchan Lee, Patrick McCormick, Alex Aiken, and Elliott Slaughter. 2021. “Index Launches.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476175.

Brower, Richard C., Evan Weinberg, M. A. Clark, and Alexei Strelchenko. 2018. “Multigrid Algorithm for Staggered Lattice Fermions.” Physical Review D 97 (11). https://doi.org/10.1103/physrevd.97.114513.

Zhou, Keren, and John Mellor-Crummey. 2019. “A Tool for Performance Analysis of GPU-Accelerated Applications.” 2019 IEEE/ACM International Symposium on Code Generation and Optimization (CGO), February. https://doi.org/10.1109/cgo.2019.8661169.

Zhou, Keren, Yueming Hao, John Mellor-Crummey, Xiaozhu Meng, and Xu Liu. 2020. “GVPROF: A Value Profiler for GPU-Based Clusters.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00093.

Zahariev, F., and M. S. Gordon. 2019. “Development of a Combined Quantum Monte Carlo-Effective Fragment Molecular Orbital Method.” Molecular Physics 117 (9–12): 1532–40. https://doi.org/10.1080/00268976.2019.1574363.

Mironov, Vladimir, Yuri Alexeev, and Dmitri G. Fedorov. 2019. “Multithreaded Parallelization of the Energy and Analytic Gradient in the Fragment Molecular Orbital Method.” International Journal of Quantum Chemistry 119 (12): e25937. https://doi.org/10.1002/qua.25937.

Barca, Giuseppe M. J., David L. Poole, Jorge L. Galvez Vallejo, Melisa Alkan, Colleen Bertoni, Alistair P. Rendell, and Mark S. Gordon. 2020. “Scaling the Hartree-Fock Matrix Build on Summit.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00085.

Sprague, M A, S Ananthan, G Vijayakumar, and M Robinson. 2020. “ExaWind: A Multifidelity Modeling and Simulation Environment for Wind Energy.” Journal of Physics: Conference Series 1452 (1): 012071. https://doi.org/10.1088/1742-6596/1452/1/012071.

Mullowney, Paul, Ruipeng Li, Stephen Thomas, Shreyas Ananthan, Ashesh Sharma, Jon S. Rood, Alan B. Williams, and Michael A. Sprague. 2021. “Preparing an Incompressible-Flow Fluid Dynamics Code for Exascale-Class Wind Energy Simulations.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476185.

Paul Laiu, M, J Austin Harris, Ran Chu, and Eirik Endeve. 2020. “Thornado-Transport: Anderson- and GPU-Accelerated Nonlinear Solvers for Neutrino-Matter Coupling1.” Journal of Physics: Conference Series 1623 (1): 012013. https://doi.org/10.1088/1742-6596/1623/1/012013.

Chu, Ran, Eirik Endeve, Cory D. Hauck, Anthony Mezzacappa, and Bronson Messer. 2019. “Thornado-Transport: IMEX Schemes for Two-Moment Neutrino Transport Respecting Fermi-Dirac Statistics.” Journal of Physics: Conference Series 1225 (1): 012013. https://doi.org/10.1088/1742-6596/1225/1/012013.

Chu, Ran, Eirik Endeve, Cory D. Hauck, and Anthony Mezzacappa. 2019. “Realizability-Preserving DG-IMEX Method for the Two-Moment Model of Fermion Transport.” Journal of Computational Physics 389 (July): 62–93. https://doi.org/10.1016/j.jcp.2019.03.037.

Zingale, M., A. S. Almgren, M. Barrios Sazo, J. B. Bell, K. Eiden, A. Harpole, M. P. Katz, A. J. Nonaka, D. E. Willcox, and W. Zhang. 2020. “The Castro AMR Simulation Code: Current and Future Developments.” Journal of Physics: Conference Series 1623 (1): 012021. https://doi.org/10.1088/1742-6596/1623/1/012021.

Romano, Paul K., Amanda L. Lund, and Andrew R. Siegel. 2017. “Optimal Run Strategies in Monte Carlo Iterated Fission Source Simulations.” Nuclear Science and Engineering 188 (1): 43–56. https://doi.org/10.1080/00295639.2017.1340692.

Hamilton, Steven P., and Thomas M. Evans. 2019. “Continuous-Energy Monte Carlo Neutron Transport on GPUs in the Shift Code.” Annals of Nuclear Energy 128 (June): 236–47. https://doi.org/10.1016/j.anucene.2019.01.012.

Peng, Xingjie, Pablo Ducru, Shichang Liu, Benoit Forget, Jingang Liang, and Kord Smith. 2018. “Converting Point-Wise Nuclear Cross Sections to Pole Representation Using Regularized Vector Fitting.” Computer Physics Communications 224 (March): 52–62. https://doi.org/10.1016/j.cpc.2017.12.004.

Romano, Paul K., and Jonathan A. Walsh. 2018. “An Improved Target Velocity Sampling Algorithm for Free Gas Elastic Scattering.” Annals of Nuclear Energy 114 (April): 318–24. https://doi.org/10.1016/j.anucene.2017.12.044.

Shriver, Forrest, Seyong Lee, Steven Hamilton, Jeffrey Vetter, and Justin Watson. 2019. “Enhancing Monte Carlo Proxy Applications on GPUs.” 2019 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs49563.2019.00009.

Forget, B., S. Kumar, and K. Smith. 2019. “Stationarity Diagnostics for Monte Carlo Problems That Utilize Source Acceleration Schemes.” Transactions of the American Nuclear Society - Volume 121. https://doi.org/10.13182/t31349.

Grayson, B., and L. Kerby. 2019. “Spherical Functional Expansions in MOOSE.” Transactions of the American Nuclear Society - Volume 121. https://doi.org/10.13182/t30905.

Boyd, William, Adam Nelson, Paul K. Romano, Samuel Shaner, Benoit Forget, and Kord Smith. 2019. “Multigroup Cross-Section Generation with the OpenMC Monte Carlo Particle Transport Code.” Nuclear Technology 205 (7): 928–44. https://doi.org/10.1080/00295450.2019.1571828.

Tramm, John R., Andrew R. Siegel, Amanda L. Lund, and Paul K. Romano. 2021. “A COMPARISON OF STOCHASTIC MESH CELL VOLUME COMPUTATION STRATEGIES FOR THE RANDOM RAY METHOD OF NEUTRAL PARTICLE TRANSPORT.” Edited by M. Margulis and P. Blaise. EPJ Web of Conferences 247: 03021. https://doi.org/10.1051/epjconf/202124703021.

Shriwise, Patrick C., John R. Tramm, Andrew Davis, and Paul K. Romano. 2021. “TOWARDS CAD-BASED GEOMETRY MODELLING WITH THE RANDOM RAY METHOD.” Edited by M. Margulis and P. Blaise. EPJ Web of Conferences 247: 03023. https://doi.org/10.1051/epjconf/202124703023.

Lund, A., A. Johnson, J. Liang, and P. Romano. 2020. “Energy Deposition in the OpenMC Monte Carlo Particle Transport Code.” Transactions of the American Nuclear Society - Volume 123. https://doi.org/10.13182/t123-33100.

Romano, Paul K., Steven P. Hamilton, Ronald O. Rahaman, April Novak, Elia Merzari, Sterling M. Harper, and Patrick C. Shriwise. 2021. “DESIGN OF A CODE-AGNOSTIC DRIVER APPLICATION FOR HIGH-FIDELITY COUPLED NEUTRONICS AND THERMAL-HYDRAULIC SIMULATIONS.” Edited by M. Margulis and P. Blaise. EPJ Web of Conferences 247: 06053. https://doi.org/10.1051/epjconf/202124706053.

Jin, Sian, Pascal Grosset, Christopher M. Biwer, Jesus Pulido, Jiannan Tian, Dingwen Tao, and James Ahrens. 2020. “Understanding GPU-Based Lossy Compression for Extreme-Scale Cosmological Simulations.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00021.

Jin, Sian, Jesus Pulido, Pascal Grosset, Jiannan Tian, Dingwen Tao, and James Ahrens. 2021. “Adaptive Configuration of In Situ Lossy Compression for Cosmology Simulations via Fine-Grained Rate-Quality Modeling.” Proceedings of the 30th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3431379.3460653.

Maldonado, Daniel Adrian, Michel Schanen, François Pacaud, and Mihai Anitescu. 2021. “Domain Decomposition Preconditioners for Unstructured Network Problems in Parallel Vector Architectures.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473363.

Jain, Arpan, Tim Moon, Tom Benson, Hari Subramoni, Sam Ade Jacobs, Dhabaleswar K Panda, and Brian Van Essen. 2021. “SUPER: SUb-Graph Parallelism for TransformERs.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00071.

Ward, Logan, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, and Larry Curtiss. 2019. “Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations.” MRS Communications 9 (3): 891–99. https://doi.org/10.1557/mrc.2019.107.

Zhang, Zhao, Lei Huang, J. Gregory Pauloski, and Ian T. Foster. 2020. “Efficient I/O for Neural Network Training with Compressed Data.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00050.

Pauloski, J. Gregory, Zhao Zhang, Lei Huang, Weijia Xu, and Ian T. Foster. 2020. “Convolutional Neural Network Training with Distributed K-FAC.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00098.

Xiang, Lizhi, Arif Khan, Edoardo Serra, Mahantesh Halappanavar, and Aravind Sukumaran-Rajam. 2021. “CuTS.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476214.

Tang, Yu-Hang, Oguz Selvitopi, Doru Thom Popovici, and Aydin Buluc. 2020. “A High-Throughput Solver for Marginalized Graph Kernels on GPU.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00080.

Barik, Reet, Marco Minutoli, Mahantesh Halappanavar, Nathan R. Tallent, and Ananth Kalyanaraman. 2020. “Vertex Reordering for Real-World Graphs and Applications: An Empirical Evaluation.” 2020 IEEE International Symposium on Workload Characterization (IISWC), October. https://doi.org/10.1109/iiswc50251.2020.00031.

Bogle, Ian, Erik G. Boman, Karen Devine, Sivasankaran Rajamanickam, and George M. Slota. 2020. “Distributed Memory Graph Coloring Algorithms for Multiple GPUs.” 2020 IEEE/ACM 10th Workshop on Irregular Applications: Architectures and Algorithms (IA3), November. https://doi.org/10.1109/ia351965.2020.00013.

Thayer, Jana B., Gabriella Carini, Wilko Kroeger, Chris O’Grady, Amedeo Perazzo, Murali Shankar, and Matt Weaver. 2017. “Building a Data System for LCLS-II.” 2017 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC), October. https://doi.org/10.1109/nssmic.2017.8533033.

Thayer, Jana, Clemens Weninger, Seshu Yamajala, Sioan Zohar, Daniel Damiani, Mikhail Dubrovin, Christopher Ford, et al. 2019. “Data Processing at the Linac Coherent Light Source.” 2019 IEEE/ACM 1st Annual Workshop on Large-Scale Experiment-in-the-Loop Computing (XLOOP), November. https://doi.org/10.1109/xloop49562.2019.00011.

Azad, Ariful, Georgios A Pavlopoulos, Christos A Ouzounis, Nikos C Kyrpides, and Aydin Buluç. 2018. “HipMCL: A High-Performance Parallel Implementation of the Markov Clustering Algorithm for Large-Scale Networks.” Nucleic Acids Research 46 (6): e33–e33. https://doi.org/10.1093/nar/gkx1313.

Azad, Ariful, and Aydin Buluc. 2019. “LACC: A Linear-Algebraic Algorithm for Finding Connected Components in Distributed Memory.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00012.

Selvitopi, Oguz, Md Taufique Hussain, Ariful Azad, and Aydin Buluc. 2020. “Optimizing High Performance Markov Clustering for Pre-Exascale Architectures.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00022.

Zeni, Alberto, Giulia Guidi, Marquita Ellis, Nan Ding, Marco D. Santambrogio, Steven Hofmeyr, Aydin Buluc, Leonid Oliker, and Katherine Yelick. 2020. “LOGAN: High-Performance GPU-Based X-Drop Long-Read Alignment.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00055.

Tripathy, Alok, Katherine Yelick, and Aydin Buluc. 2020. “Reducing Communication in Graph Neural Network Training.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00074.

Selvitopi, Oguz, Saliya Ekanayake, Giulia Guidi, Georgios A. Pavlopoulos, Ariful Azad, and Aydin Buluc. 2020. “Distributed Many-to-Many Protein Sequence Alignment Using Sparse Matrices.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00079.

Peverelli, Francesco, Lorenzo Di Tucci, Marco D. Santambrogio, Nan Ding, Steven Hofmeyr, Aydin Buluc, Leonid Oliker, and Katherine Yelick. 2020. “GPU Accelerated Partial Order Multiple Sequence Alignment for Long Reads Self-Correction.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00039.

Pandey, Prashant, Brian Wheatman, Helen Xu, and Aydin Buluc. 2021. “Terrace: A Hierarchical Graph Container for Skewed Dynamic Graphs.” Proceedings of the 2021 International Conference on Management of Data, June. https://doi.org/10.1145/3448016.3457313.

Nisa, Israt, Prashant Pandey, Marquita Ellis, Leonid Oliker, Aydin Buluc, and Katherine Yelick. 2021. “Distributed-Memory k-Mer Counting on GPUs.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00061.

Yuan, L, A S Sabau, D StJohn, A Prasad, and P D Lee. 2020. “Columnar-to-Equiaxed Transition in a Laser Scan for Metal Additive Manufacturing.” IOP Conference Series: Materials Science and Engineering 861 (1): 012007. https://doi.org/10.1088/1757-899x/861/1/012007.

Gagniere, S., D. Hyde, A. Marquez‐Razon, C. Jiang, Z. Ge, X. Han, Q. Guo, and J. Teran. 2020. “A Hybrid Lagrangian/Eulerian Collocated Velocity Advection and Projection Method for Fluid Simulation.” Computer Graphics Forum 39 (8): 1–14. https://doi.org/10.1111/cgf.14096.

Hyde, David A. B., Steven W. Gagniere, Alan Marquez-Razon, and Joseph Teran. 2020. “An Implicit Updated Lagrangian Formulation for Liquids with Large Surface Energy.” ACM Transactions on Graphics 39 (6): 1–13. https://doi.org/10.1145/3414685.3417845.

Gagniere, S., D. Hyde, A. Marquez‐Razon, C. Jiang, Z. Ge, X. Han, Q. Guo, and J. Teran. 2020. “A Hybrid Lagrangian/Eulerian Collocated Velocity Advection and Projection Method for Fluid Simulation.” Computer Graphics Forum 39 (8): 1–14. https://doi.org/10.1111/cgf.14096.

Yang, L., and B. D. Wirth. 2018. “Energetics of Hydrogen and Helium-Vacancy Complexes in Bulk and near Surfaces of Tungsten: First-Principles Study.” Journal of Applied Physics 123 (21): 215104. https://doi.org/10.1063/1.5027805.

Yang, L., Z.J. Bergstrom, and B.D. Wirth. 2018. “Effect of Interatomic Potential on the Energetics of Hydrogen and Helium-Vacancy Complexes in Bulk, or near Surfaces of Tungsten.” Journal of Nuclear Materials 512 (December): 357–70. https://doi.org/10.1016/j.jnucmat.2018.10.032.

Yang, L., Z. J. Bergstrom, and B. D. Wirth. 2018. “First-Principles Study of Stability of Helium-Vacancy Complexes below Tungsten Surfaces.” Journal of Applied Physics 123 (20): 205108. https://doi.org/10.1063/1.5027088.

Yang, L., B.D. Wirth, Danny Perez, and Arthur F. Voter. 2019. “Mobility of Tungsten Clusters on Tungsten Surfaces.” Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 453 (August): 61–66. https://doi.org/10.1016/j.nimb.2019.05.078.

Wood, M. A., M. A. Cusentino, B. D. Wirth, and A. P. Thompson. 2019. “Data-Driven Material Models for Atomistic Simulation.” Physical Review B 99 (18). https://doi.org/10.1103/physrevb.99.184305.

Karabin, Mariia, and Danny Perez. 2020. “An Entropy-Maximization Approach to Automated Training Set Generation for Interatomic Potentials.” The Journal of Chemical Physics 153 (9): 094110. https://doi.org/10.1063/5.0013059.

Petrone, Floriana, Norman Abrahamson, David McCallen, and Mamun Miah. 2020. “Validation of (Not‐historical) Large‐event Near‐fault Ground‐motion Simulations for Use in Civil Engineering Applications.” Earthquake Engineering & Structural Dynamics 50 (1): 116–34. https://doi.org/10.1002/eqe.3366.

Tang, Houjun, Suren Byna, N Anders Petersson, and David McCallen. 2021. “Tuning Parallel Data Compression and I/O for Large-Scale Earthquake Simulation.” 2021 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata52589.2021.9671876.

Terai, C. R., M. S. Pritchard, P. Blossey, and C. S. Bretherton. 2020. “The Impact of Resolving Subkilometer Processes on Aerosol‐Cloud Interactions of Low‐Level Clouds in Global Model Simulations.” Journal of Advances in Modeling Earth Systems 12 (11). https://doi.org/10.1029/2020ms002274.

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Kang, Qiao, Sunwoo Lee, Kaiyuan Hou, Robert Ross, Ankit Agrawal, Alok Choudhary, and Wei-keng Liao. 2020. “Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation.” IEEE Transactions on Parallel and Distributed Systems 31 (11): 2682–95. https://doi.org/10.1109/tpds.2020.3000458.

Mniszewski, Susan M., Romain Perriot, Emanuel H. Rubensson, Christian F. A. Negre, Marc J. Cawkwell, and Anders M. N. Niklasson. 2018. “Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation.” Journal of Chemical Theory and Computation 15 (1): 190–200. https://doi.org/10.1021/acs.jctc.8b00887.

Perriot, Romain, Christian F. A. Negre, Shawn D. McGrane, and Marc J. Cawkwell. 2018. “Density Functional Tight Binding Calculations for the Simulation of Shocked Nitromethane with LATTE-LAMMPS.” AIP Conference Proceedings. https://doi.org/10.1063/1.5044797.

Bock, Nicolas, Christian F. A. Negre, Susan M. Mniszewski, Jamaludin Mohd-Yusof, Bálint Aradi, Jean-Luc Fattebert, Daniel Osei-Kuffuor, Timothy C. Germann, and Anders M. N. Niklasson. 2018. “The Basic Matrix Library (BML) for Quantum Chemistry.” The Journal of Supercomputing 74 (11): 6201–19. https://doi.org/10.1007/s11227-018-2533-0.

Pouchard, Line, Abid Malik, Huub Van Dam, Cong Xie, Wei Xu, and Kerstin Kleese Van Dam. 2017. “Capturing Provenance as a Diagnostic Tool for Workflow Performance Evaluation and Optimization.” 2017 New York Scientific Data Summit (NYSDS), August. https://doi.org/10.1109/nysds.2017.8085043.

Foster, Ian, Mark Ainsworth, Bryce Allen, Julie Bessac, Franck Cappello, Jong Youl Choi, Emil Constantinescu, et al. 2017. “Computing Just What You Need: Online Data Analysis and Reduction at Extreme Scales.” Euro-Par 2017: Parallel Processing, 3–19. https://doi.org/10.1007/978-3-319-64203-1_1.

Pouchard, Line, Kevin Huck, Gyorgy Matyasfalvi, Dingwen Tao, Li Tang, Huub Van Dam, and Shinaje Yoo. 2018. “Prescriptive Provenance for Streaming Analysis of Workflows at Scale.” 2018 New York Scientific Data Summit (NYSDS), August. https://doi.org/10.1109/nysds.2018.8538951.

Ainsworth, Mark, Ozan Tugluk, Ben Whitney, and Scott Klasky. 2018. “Multilevel Techniques for Compression and Reduction of Scientific Data—the Univariate Case.” Computing and Visualization in Science 19 (5–6): 65–76. https://doi.org/10.1007/s00791-018-00303-9.

Retzlaff, Michael, Todd Munson, and Zichao Di. 2019. “Data Compression for Optimization of a Molecular Dynamics System: Preserving Basins of Attraction.” Computational Science – ICCS 2019, 457–70. https://doi.org/10.1007/978-3-030-22744-9_36.

Mehta, Kshitij, Ian Foster, Scott Klasky, Bryce Allen, Matthew Wolf, Jeremy Logan, Eric Suchyta, et al. 2019. “A Codesign Framework for Online Data Analysis and Reduction.” 2019 IEEE/ACM Workflows in Support of Large-Scale Science (WORKS), November. https://doi.org/10.1109/works49585.2019.00007.

Imre, Martin, Jun Han, Julien Dominski, Michael Churchill, Ralph Kube, Choong-Seock Chang, Tom Peterka, Hanqi Guo, and Chaoli Wang. 2019. “ContourNet: Salient Local Contour Identification for Blob Detection in Plasma Fusion Simulation Data.” Lecture Notes in Computer Science, 289–301. https://doi.org/10.1007/978-3-030-33720-9_22.

Pouchard, Line, Sterling Baldwin, Todd Elsethagen, Shantenu Jha, Bibi Raju, Eric Stephan, Li Tang, and Kerstin Kleese Van Dam. 2019. “Computational Reproducibility of Scientific Workflows at Extreme Scales.” The International Journal of High Performance Computing Applications 33 (5): 763–76. https://doi.org/10.1177/1094342019839124.

Ainsworth, Mark, Ozan Tugluk, Ben Whitney, and Scott Klasky. 2019. “Multilevel Techniques for Compression and Reduction of Scientific Data---The Multivariate Case.” SIAM Journal on Scientific Computing 41 (2): A1278–1303. https://doi.org/10.1137/18m1166651.

Zhao, Kai, Sheng Di, Xin Lian, Sihuan Li, Dingwen Tao, Julie Bessac, Zizhong Chen, and Franck Cappello. 2020. “SDRBench: Scientific Data Reduction Benchmark for Lossy Compressors.” 2020 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata50022.2020.9378449.

Underwood, Robert, Sheng Di, Jon C. Calhoun, and Franck Cappello. 2020. “FRaZ: A Generic High-Fidelity Fixed-Ratio Lossy Compression Framework for Scientific Floating-Point Data.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00065.

Yakushin, Igor, Kshitij Mehta, Jieyang Chen, Matthew Wolf, Ian Foster, Scott Klasky, and Todd Munson. 2020. “Feature-Preserving Lossy Compression for In Situ Data Analysis.” 49th International Conference on Parallel Processing - ICPP : Workshops, August. https://doi.org/10.1145/3409390.3409400.

Li, Heyi, Yuewei Lin, Klaus Mueller, and Wei Xu. 2020. “Interpreting Galaxy Deblender GAN from the Discriminator’s Perspective.” Lecture Notes in Computer Science, 239–50. https://doi.org/10.1007/978-3-030-64559-5_18.

George, Jithin, and Zichao Di. 2020. “Trilateration-Based Multilevel Method for Minimizing the Lennard-Jones Potential.” Computational Science – ICCS 2020, 163–75. https://doi.org/10.1007/978-3-030-50426-7_13.

Shu, Tong, Yanfei Guo, Justin Wozniak, Xiaoning Ding, Ian Foster, and Tahsin Kurc. 2021. “Bootstrapping In-Situ Workflow Auto-Tuning via Combining Performance Models of Component Applications.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476197.

Haidar, Azzam, Khairul Kabir, Diana Fayad, Stanimire Tomov, and Jack Dongarra. 2017. “Out of Memory SVD Solver for Big Data.” 2017 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2017.8091029.

Dong, Tingxing, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2017. “Optimizing the SVD Bidiagonalization Process for a Batch of Small Matrices.” Procedia Computer Science 108: 1008–18. https://doi.org/10.1016/j.procs.2017.05.237.

Luszczek, Piotr, Jakub Kurzak, Ichitaro Yamazaki, and Jack Dongarra. 2017. “Towards Numerical Benchmark for Half-Precision Floating Point Arithmetic.” 2017 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2017.8091031.

Kabir, Khairul, Azzam Haidar, Stanimire Tomov, Aurelien Bouteiller, and Jack Dongarra. 2017. “A Framework for Out of Memory SVD Algorithms.” High Performance Computing, 158–78. https://doi.org/10.1007/978-3-319-58667-0_9.

Haidar, Azzam, Panruo Wu, Stanimire Tomov, and Jack Dongarra. 2017. “Investigating Half Precision Arithmetic to Accelerate Dense Linear System Solvers.” Proceedings of the 8th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems, November. https://doi.org/10.1145/3148226.3148237.

Haidar, Azzam, Ahmad Abdelfattah, Mawussi Zounon, Panruo Wu, Srikara Pranesh, Stanimire Tomov, and Jack Dongarra. 2018. “The Design of Fast and Energy-Efficient Linear Solvers: On the Potential of Half-Precision Arithmetic and Iterative Refinement Techniques.” Computational Science – ICCS 2018, 586–600. https://doi.org/10.1007/978-3-319-93698-7_45.

Abdelfattah, Ahmad, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2018. “Analysis and Design Techniques towards High-Performance and Energy-Efficient Dense Linear Solvers on GPUs.” IEEE Transactions on Parallel and Distributed Systems 29 (12): 2700–2712. https://doi.org/10.1109/tpds.2018.2842785.

Abdelfattah, Ahmad, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2018. “Batched One-Sided Factorizations of Tiny Matrices Using GPUs: Challenges and Countermeasures.” Journal of Computational Science 26 (May): 226–36. https://doi.org/10.1016/j.jocs.2018.01.005.

Dongarra, Jack, Mark Gates, Azzam Haidar, Jakub Kurzak, Piotr Luszczek, Stanimire Tomov, and Ichitaro Yamazaki. 2018. “The Singular Value Decomposition: Anatomy of Optimizing an Algorithm for Extreme Scale.” SIAM Review 60 (4): 808–65. https://doi.org/10.1137/17m1117732.

Dong, Tingxing, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2018. “Accelerating the SVD Bi-Diagonalization of a Batch of Small Matrices Using GPUs.” Journal of Computational Science 26 (May): 237–45. https://doi.org/10.1016/j.jocs.2018.01.007.

Anzt, Hartwig, Thomas K. Huckle, Jürgen Bräckle, and Jack Dongarra. 2018. “Incomplete Sparse Approximate Inverses for Parallel Preconditioning.” Parallel Computing 71 (January): 1–22. https://doi.org/10.1016/j.parco.2017.10.003.

Haidar, Azzam, Stanimire Tomov, Jack Dongarra, and Nicholas J. Higham. 2018. “Harnessing GPU Tensor Cores for Fast FP16 Arithmetic to Speed up Mixed-Precision Iterative Refinement Solvers.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00050.

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2019. “Progressive Optimization of Batched LU Factorization on GPUs.” 2019 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2019.8916270.

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2019. “Towards Half-Precision Computation for Complex Matrices: A Case Study for Mixed Precision Solvers on GPUs.” 2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), November. https://doi.org/10.1109/scala49573.2019.00008.

Anzt, Hartwig, Yuhsiang M. Tsai, Ahmad Abdelfattah, Terry Cojean, and Jack Dongarra. 2020. “Evaluating the Performance of NVIDIA’s A100 Ampere GPU for Sparse and Batched Computations.” 2020 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs51919.2020.00009.

Beams, Natalie, Ahmad Abdelfattah, Stan Tomov, Jack Dongarra, Tzanio Kolev, and Yohann Dudouit. 2020. “High-Order Finite Element Method Using Standard and Device-Level Batch GEMM on GPUs.” 2020 IEEE/ACM 11th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), November. https://doi.org/10.1109/scala51936.2020.00012.

Mehraban, A., J. Thompson, J. Brown, R. Regueiro, V. Barra, and H. Tufo. 2021. “Simulating Compressible and Nearly-Incompressible Linear Elasticity Using an Efficient Parallel Scalable Matrix-Free High-Order Finite Element Method.” 14th WCCM-ECCOMAS Congress. https://doi.org/10.23967/wccm-eccomas.2020.302.

Ozik, Jonathan, Nicholson Collier, Justin M. Wozniak, Charles Macal, Chase Cockrell, Samuel H. Friedman, Ahmadreza Ghaffarizadeh, Randy Heiland, Gary An, and Paul Macklin. 2018. “High-Throughput Cancer Hypothesis Testing with an Integrated PhysiCell-EMEWS Workflow.” BMC Bioinformatics 19 (S18). https://doi.org/10.1186/s12859-018-2510-x.

Gao, Shang, Michael T Young, John X Qiu, Hong-Jun Yoon, James B Christian, Paul A Fearn, Georgia D Tourassi, and Arvind Ramanthan. 2017. “Hierarchical Attention Networks for Information Extraction from Cancer Pathology Reports.” Journal of the American Medical Informatics Association 25 (3): 321–30. https://doi.org/10.1093/jamia/ocx131.

Bhattacharya, Tanmoy, Thomas Brettin, James H. Doroshow, Yvonne A. Evrard, Emily J. Greenspan, Amy L. Gryshuk, Thuc T. Hoang, et al. 2019. “AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing.” Frontiers in Oncology 9 (October). https://doi.org/10.3389/fonc.2019.00984.

Young, M. Todd, Jacob Hinkle, Arvind Ramanathan, and Ramakrishnan Kannan. 2018. “HyperSpace: Distributed Bayesian Hyperparameter Optimization.” 2018 30th International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD), September. https://doi.org/10.1109/cahpc.2018.8645954.

Wozniak, Justin M., Hyunseung Yoo, Jamaludin Mohd-Yusof, Bogdan Nicolae, Nicholson Collier, Jonathan Ozik, Thomas Brettin, and Rick Stevens. 2020. “High-Bypass Learning: Automated Detection of Tumor Cells That Significantly Impact Drug Response.” 2020 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC) and Workshop on Artificial Intelligence and Machine Learning for Scientific Applications (AI4S), November. https://doi.org/10.1109/mlhpcai4s51975.2020.00012.

Yoon, Hong-Jun, Hilda B. Klasky, Eric B. Durbin, Xiao-Cheng Wu, Antoinette Stroup, Jennifer Doherty, Linda Coyle, et al. 2021. “Privacy-Preserving Knowledge Transfer with Bootstrap Aggregation of Teacher Ensembles.” Lecture Notes in Computer Science, 87–99. https://doi.org/10.1007/978-3-030-71055-2_9.

Li, Ang, Shuaiwen Leon Song, Jieyang Chen, Xu Liu, Nathan Tallent, and Kevin Barker. 2018. “Tartan: Evaluating Modern GPU Interconnect via a Multi-GPU Benchmark Suite.” 2018 IEEE International Symposium on Workload Characterization (IISWC), September. https://doi.org/10.1109/iiswc.2018.8573483.

Katz, Max P., Ann Almgren, Maria Barrios Sazo, Kiran Eiden, Kevin Gott, Alice Harpole, Jean M. Sexton, Don E. Willcox, Weiqun Zhang, and Michael Zingale. 2020. “Preparing Nuclear Astrophysics for Exascale.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00095.

Godoy, William F., Norbert Podhorszki, Ruonan Wang, Chuck Atkins, Greg Eisenhauer, Junmin Gu, Philip Davis, et al. 2020. “ADIOS 2: The Adaptable Input Output System. A Framework for High-Performance Data Management.” SoftwareX 12 (July): 100561. https://doi.org/10.1016/j.softx.2020.100561.

Mehraban, A., J. Thompson, J. Brown, R. Regueiro, V. Barra, and H. Tufo. 2021. “Simulating Compressible and Nearly-Incompressible Linear Elasticity Using an Efficient Parallel Scalable Matrix-Free High-Order Finite Element Method.” 14th WCCM-ECCOMAS Congress. https://doi.org/10.23967/wccm-eccomas.2020.302.

Maldonado, Daniel Adrian, Michel Schanen, François Pacaud, and Mihai Anitescu. 2021. “Domain Decomposition Preconditioners for Unstructured Network Problems in Parallel Vector Architectures.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473363.

Jin, Sian, Pascal Grosset, Christopher M. Biwer, Jesus Pulido, Jiannan Tian, Dingwen Tao, and James Ahrens. 2020. “Understanding GPU-Based Lossy Compression for Extreme-Scale Cosmological Simulations.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00021.

Zhou, Hui, Ken Raffenetti, Yanfei Guo, and Rajeev Thakur. 2022. “MPIX Stream: An Explicit Solution to Hybrid MPI+X Programming.” EuroMPI/USA’22: 29th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3555819.3555820.

Zingale, M., M. P. Katz, A. Nonaka, and M. Rasmussen. 2022. “An Improved Method for Coupling Hydrodynamics with Astrophysical Reaction Networks.” The Astrophysical Journal 936 (1): 6. https://doi.org/10.3847/1538-4357/ac8478.

Rolchigo, Matt, Samuel Temple Reeve, Benjamin Stump, Gerald L. Knapp, John Coleman, Alex Plotkowski, and James Belak. 2022. “ExaCA: A Performance Portable Exascale Cellular Automata Application for Alloy Solidification Modeling.” Computational Materials Science 214 (November): 111692. https://doi.org/10.1016/j.commatsci.2022.111692.

Pacaud, François, Daniel Adrian Maldonado, Sungho Shin, Michel Schanen, and Mihai Anitescu. 2022. “A Feasible Reduced Space Method for Real-Time Optimal Power Flow.” Electric Power Systems Research 212 (November): 108268. https://doi.org/10.1016/j.epsr.2022.108268.

Montes de Oca Zapiain, David, Mitchell A. Wood, Nicholas Lubbers, Carlos Z. Pereyra, Aidan P. Thompson, and Danny Perez. 2022. “Training Data Selection for Accuracy and Transferability of Interatomic Potentials.” Npj Computational Materials 8 (1). https://doi.org/10.1038/s41524-022-00872-x.

Dutta, Soumya, Terece Turton, David Rogers, Jordan M. Musser, James Ahrens, and Ann S. Almgren. 2022. “In Situ Feature Analysis for Large-Scale Multiphase Flow Simulations.” Journal of Computational Science 63 (September): 101773. https://doi.org/10.1016/j.jocs.2022.101773.

Choi, Jaemin, Zane Fink, Sam White, Nitin Bhat, David F. Richards, and Laxmikant V. Kale. 2022. “Accelerating Communication for Parallel Programming Models on GPU Systems.” Parallel Computing 113 (October): 102969. https://doi.org/10.1016/j.parco.2022.102969.

Iwabuchi, Keita, Karim Youssef, Kaushik Velusamy, Maya Gokhale, and Roger Pearce. 2022. “Metall: A Persistent Memory Allocator for Data-Centric Analytics.” Parallel Computing 111 (July): 102905. https://doi.org/10.1016/j.parco.2022.102905.

Olson, M. Ben, Brandon Kammerdiener, Michael R. Jantz, Kshitij A. Doshi, and Terry Jones. 2022. “Online Application Guidance for Heterogeneous Memory Systems.” ACM Transactions on Architecture and Code Optimization 19 (3): 1–27. https://doi.org/10.1145/3533855.

Loe, Jennifer A., Christian A. Glusa, Ichitaro Yamazaki, Erik G. Boman, and Sivasankaran Rajamanickam. 2021. “Experimental Evaluation of Multiprecision Strategies for GMRES on GPUs.” 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), June. https://doi.org/10.1109/ipdpsw52791.2021.00078.

Liu, Yuanjian, Sheng Di, Kai Zhao, Sian Jin, Cheng Wang, Kyle Chard, Dingwen Tao, Ian Foster, and Franck Cappello. 2021. “Optimizing Multi-Range Based Error-Bounded Lossy Compression for Scientific Datasets.” 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics (HiPC), December. https://doi.org/10.1109/hipc53243.2021.00036.

Liu, Jinyang, Sihuan Li, Sheng Di, Xin Liang, Kai Zhao, Dingwen Tao, Zizhong Chen, and Franck Cappello. 2021. “Improving Lossy Compression for SZ by Exploring the Best-Fit Lossless Compression Techniques.” 2021 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata52589.2021.9671954.

Liu, Jinyang, Sheng Di, Kai Zhao, Sian Jin, Dingwen Tao, Xin Liang, Zizhong Chen, and Franck Cappello. 2021. “Exploring Autoencoder-Based Error-Bounded Compression for Scientific Data.” 2021 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster48925.2021.00034.

Liu, Yuanjian, Sheng Di, Kai Zhao, Sian Jin, Cheng Wang, Kyle Chard, Dingwen Tao, Ian Foster, and Franck Cappello. 2021. “Understanding Effectiveness of Multi-Error-Bounded Lossy Compression for Preserving Ranges of Interest in Scientific Analysis.” 2021 7th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-7), November. https://doi.org/10.1109/drbsd754563.2021.00010.

Liang, Xin, Qian Gong, Jieyang Chen, Ben Whitney, Lipeng Wan, Qing Liu, David Pugmire, Rick Archibald, Norbert Podhorszki, and Scott Klasky. 2021. “Error-Controlled, Progressive, and Adaptable Retrieval of Scientific Data with Multilevel Decomposition.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476179.

Li, Sihuan, Sheng Di, Kai Zhao, Xin Liang, Zizhong Chen, and Franck Cappello. 2021. “Resilient Error-Bounded Lossy Compressor for Data Transfer.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476195.

Lee, Sunwoo, Qiao Kang, Kewei Wang, Jan Balewski, Alex Sim, Ankit Agrawal, Alok Choudhary, Peter Nugent, Kesheng Wu, and Wei-keng Liao. 2021. “Asynchronous I/O Strategy for Large-Scale Deep Learning Applications.” 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics (HiPC), December. https://doi.org/10.1109/hipc53243.2021.00046.

Lawson, Margaret, Cyrus Harrison, Eric Brugger, Aaron Skinner, and Matthew Larsen. 2021. “Automated In Situ Computational Steering Using Ascent’s Capable Yes-No Machine.” ISAV’21: In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3490138.3490144.

Kwack, JaeHyuk, John Tramm, Colleen Bertoni, Yasaman Ghadar, Brian Homerding, Esteban Rangel, Christopher Knight, and Scott Parker. 2021. “Evaluation of Performance Portability of Applications and Mini-Apps across AMD, Intel and NVIDIA GPUs.” 2021 International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc54578.2021.00008.

Kruse, Michael. 2021. “Loop Transformations Using Clang’s Abstract Syntax Tree.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473359.

Krasowska, David, Julie Bessac, Robert Underwood, Jon C. Calhoun, Sheng Di, and Franck Cappello. 2021. “Exploring Lossy Compressibility through Statistical Correlations of Scientific Datasets.” 2021 7th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-7), November. https://doi.org/10.1109/drbsd754563.2021.00011.

Koo, Jaehoon, Prasanna Balaprakash, Michael Kruse, Xingfu Wu, Paul Hovland, and Mary Hall. 2021. “Customized Monte Carlo Tree Search for LLVM/Polly’s Composable Loop Optimization Transformations.” 2021 International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs54543.2021.00015.

Kang, Qiao, Scot Breitenfeld, Kaiyuan Hou, Wei-keng Liao, Robert Ross, and Suren Byna. 2021. “Optimizing Performance of Parallel I/O Accesses to Non-Contiguous Blocks in Multiple Array Variables.” 2021 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata52589.2021.9671638.

Kamil, Amir, and Dan Bonachea. 2021. “Optimization of Asynchronous Communication Operations through Eager Notifications.” 2021 SC Workshops Supplementary Proceedings (SCWS), November. https://doi.org/10.1109/scws55283.2021.00014.

Jayatilaka, Tarindu, Hideto Ueno, Giorgis Georgakoudis, EunJung Park, and Johannes Doerfert. 2021. “Towards Compile-Time-Reducing Compiler Optimization Selection via Machine Learning.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473355.

Hussain, Md Taufique, Oguz Selvitopi, Aydin Buluc, and Ariful Azad. 2021. “Communication-Avoiding and Memory-Constrained Sparse Matrix-Matrix Multiplication at Extreme Scale.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00018.

Huckelheim, Jan, and Johannes Doerfert. 2021. “Spray: Sparse Reductions of Arrays in OPENMP.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00056.

Huber, Joseph, Weile Wei, Giorgis Georgakoudis, Johannes Doerfert, and Oscar Hernandez. 2021. “A Case Study of LLVM-Based Analysis for Optimizing SIMD Code Generation.” Lecture Notes in Computer Science, 142–55. https://doi.org/10.1007/978-3-030-85262-7_10.

Huang, Xuan, Pavol Klacansky, Steve Petruzza, Attila Gyulassy, Peer-Timo Bremer, and Valerio Pascucci. 2021. “Distributed Merge Forest.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3447818.3460358.

Holmes, Daniel J., Anthony Skjellum, Julien Jaeger, Ryan E. Grant, Purushotham V. Bangalore, Matthew G.F. Dosanjh, Amanda Bienz, and Derek Schafer. 2021. “Partitioned Collective Communication.” 2021 Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi54564.2021.00007.

Hoang, Duong, Harsh Bhatia, Peter Lindstrom, and Valerio Pascucci. 2021. “High-Quality and Low-Memory-Footprint Progressive Decoding of Large-Scale Particle Data.” 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav53230.2021.00011.

Herault, Thomas, Yves Robert, George Bosilca, Robert J. Harrison, Cannada A. Lewis, Edward F. Valeev, and Jack J. Dongarra. 2021. “Distributed-Memory Multi-GPU Block-Sparse Tensor Contraction for Electronic Structure.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00062.

Haseeb, Muhammad, Nan Ding, Jack Deslippe, and Muaaz Awan. 2021. “Evaluating Performance and Portability of a Core Bioinformatics Kernel on Multiple Vendor GPUs.” 2021 International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc54578.2021.00010.

Guo, Hanqi, and Tom Peterka. 2021. “Exact Analytical Parallel Vectors.” 2021 IEEE Visualization Conference (VIS), October. https://doi.org/10.1109/vis49827.2021.9623310.

Guidi, Giulia, Oguz Selvitopi, Marquita Ellis, Leonid Oliker, Katherine Yelick, and Aydin Buluc. 2021. “Parallel String Graph Construction and Transitive Reduction for De Novo Genome Assembly.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00060.

Guidi, Giulia, Marquita Ellis, Aydin Buluç, Katherine Yelick, and David Culler. 2021. “10 Years Later: Cloud Computing Is Closing the Performance Gap.” Companion of the ACM/SPEC International Conference on Performance Engineering, April. https://doi.org/10.1145/3447545.3451183.

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Göbel, Fritz, Thomas Grützmacher, Tobias Ribizel, and Hartwig Anzt. 2021. “Mixed Precision Incomplete and Factorized Sparse Approximate Inverse Preconditioning on GPUs.” Lecture Notes in Computer Science, 550–64. https://doi.org/10.1007/978-3-030-85665-6_34.

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Chen, Serena H., M. Todd Young, John Gounley, Christopher Stanley, and Debsindhu Bhowmik. 2021. “How Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets.” 2021 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata52589.2021.9671323.

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Bosilca, George, Aurelien Bouteiller, Thomas Herault, Valentin Le Fevre, Yves Robert, and Jack Dongarra. 2021. “Revisiting Credit Distribution Algorithms for Distributed Termination Detection.” 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), June. https://doi.org/10.1109/ipdpsw52791.2021.00095.

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Ayachit, Utkarsh, Andrew C. Bauer, Ben Boeckel, Berk Geveci, Kenneth Moreland, Patrick O’Leary, and Tom Osika. 2021. “Catalyst Revised: Rethinking the ParaView in Situ Analysis and Visualization API.” High Performance Computing, 484–94. https://doi.org/10.1007/978-3-030-90539-2_33.

Awan, Muaaz Gul, Steven Hofmeyr, Rob Egan, Nan Ding, Aydin Buluc, Jack Deslippe, Leonid Oliker, and Katherine Yelick. 2021. “Accelerating Large Scale de Novo Metagenome Assembly Using GPUs.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476212.

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Aggarwal, Isha, Aditya Kashi, Pratik Nayak, Cody J. Balos, Carol S. Woodward, and Hartwig Anzt. 2021. “Batched Sparse Iterative Solvers for Computational Chemistry Simulations on GPUs.” 2021 12th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), November. https://doi.org/10.1109/scala54577.2021.00010.

Abhyankar, Shrirang, Slaven Peles, Robert Rutherford, and Asher Mancinelli. 2021. “Evaluation of AC Optimal Power Flow on Graphical Processing Units.” 2021 IEEE Power & Energy Society General Meeting (PESGM), July. https://doi.org/10.1109/pesgm46819.2021.9638131.

Penchoff, Deborah A., Edward Valeev, Heike Jagode, Piotr Luszczek, Anthony Danalis, George Bosilca, Robert J. Harrison, Jack Dongarra, and Theresa L. Windus. 2021. “An Introduction to High Performance Computing and Its Intersection with Advances in Modeling Rare Earth Elements and Actinides.” ACS Symposium Series, October, 3–53. https://doi.org/10.1021/bk-2021-1388.ch001.

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Oyama, Yosuke, Naoya Maruyama, Nikoli Dryden, Erin Mccarthy, Peter Harrington, Jan Balewski, Satoshi Matsuoka, Peter Nugent, and Brian Van Essen. 2021. “The Case for Strong Scaling in Deep Learning: Training Large 3D CNNs with Hybrid Parallelism.” IEEE Transactions on Parallel and Distributed Systems, 1–1. https://doi.org/10.1109/tpds.2020.3047974.

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Gao, Shang, Mohammed Alawad, M. Todd Young, John Gounley, Noah Schaefferkoetter, Hong Jun Yoon, Xiao-Cheng Wu, et al. 2021. “Limitations of Transformers on Clinical Text Classification.” IEEE Journal of Biomedical and Health Informatics 25 (9): 3596–3607. https://doi.org/10.1109/jbhi.2021.3062322.

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Chen, Jingyu, Victoria Kala, Alan Marquez-Razon, Elias Gueidon, David A. B. Hyde, and Joseph Teran. 2021. “A Momentum-Conserving Implicit Material Point Method for Surface Tension with Contact Angles and Spatial Gradients.” ACM Transactions on Graphics 40 (4): 1–16. https://doi.org/10.1145/3450626.3459874.

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Huber, Joseph, Melanie Cornelius, Giorgis Georgakoudis, Shilei Tian, Jose M Monsalve Diaz, Kuter Dinel, Barbara Chapman, and Johannes Doerfert. 2022. “Efficient Execution of OpenMP on GPUs.” 2022 IEEE/ACM International Symposium on Code Generation and Optimization (CGO), April. https://doi.org/10.1109/cgo53902.2022.9741290.

Gu, Junmin, Philip Davis, Greg Eisenhauer, William Godoy, Axel Huebl, Scott Klasky, Manish Parashar, et al. 2022. “Organizing Large Data Sets for Efficient Analyses on HPC Systems.” Journal of Physics: Conference Series 2224 (1): 012042. https://doi.org/10.1088/1742-6596/2224/1/012042.

Donaghy, John, and Kai Germaschewski. 2022. “Inference and De-Noising of Non-Gaussian Particle Distribution Functions: A Generative Modeling Approach.” Lecture Notes in Computer Science, 338–48. https://doi.org/10.1007/978-3-030-95467-3_25.

Denoyelle, Nicolas, Swann Perarnau, Kamil Iskra, and Balazs Gerofi. 2022. “Rapid Execution Time Estimation for Heterogeneous Memory Systems Through Differential Tracing.” High Performance Computing, 256–74. https://doi.org/10.1007/978-3-031-07312-0_13.

Cai, Qiheng, Junyi Cheng, Yang Chen, Marcus Wagner, Christopher Daley, Dossay Oryspayev, Stefan Tirkas, Sophie Redd, and Scott Parker. 2022. “GPU Offloading of a Large-Scale Gyrokinetic Particle-in-Cell Fortran Code on Summit: From OpenACC to OpenMP.” Lecture Notes in Computer Science, 133–48. https://doi.org/10.1007/978-3-030-97759-7_7.

Bez, Jean Luca, Ahmad Maroof Karimi, Arnab K. Paul, Bing Xie, Suren Byna, Philip Carns, Sarp Oral, Feiyi Wang, and Jesse Hanley. 2022. “Access Patterns and Performance Behaviors of Multi-Layer Supercomputer I/O Subsystems under Production Load.” Proceedings of the 31st International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3502181.3531461.

Anderson, Jonathon, Yumeng Liu, and John Mellor-Crummey. 2022. “Preparing for Performance Analysis at Exascale.” Proceedings of the 36th ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3524059.3532397.

Aliaga, José I., Hartwig Anzt, Thomas Grützmacher, Enrique S. Quintana‐Ortí, and Andrés E. Tomás. 2021. “Compression and Load Balancing for Efficient Sparse Matrix‐vector Product on Multicore Processors and Graphics Processing Units.” Concurrency and Computation: Practice and Experience 34 (14). https://doi.org/10.1002/cpe.6515.

Sane, Sudhanshu, and Hank Childs. 2022. “Exploratory Time-Dependent Flow Visualization via In Situ Extracted Lagrangian Representations.” In Situ Visualization for Computational Science, 91–109. https://doi.org/10.1007/978-3-030-81627-8_5.

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Zhang, Qian, Hang Deng, Yanhui Dong, Sergi Molins, Xiao Li, and Carl Steefel. 2022. “Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro‐Continuum Reactive Transport Model.” Water Resources Research 58 (2). https://doi.org/10.1029/2021wr030578.

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Ganeriwala, Rishi K., Neil E. Hodge, and Jerome M. Solberg. 2021. “Towards Improved Speed and Accuracy of Laser Powder Bed Fusion Simulations via Multiscale Spatial Representations.” Computational Materials Science 187 (February): 110112. https://doi.org/10.1016/j.commatsci.2020.110112.

Kenawy, Maha, David McCallen, and Arben Pitarka. 2021. “Variability of Near‐fault Seismic Risk to Reinforced Concrete Buildings Based on High‐resolution Physics‐based Ground Motion Simulations.” Earthquake Engineering & Structural Dynamics 50 (6): 1713–33. https://doi.org/10.1002/eqe.3413.

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Anzt, Hartwig, Yen-Chen Chen, Terry Cojean, Jack Dongarra, Goran Flegar, Pratik Nayak, Enrique S. Quintana-Ortí, Yuhsiang M. Tsai, and Weichung Wang. 2019. “Towards Continuous Benchmarking.” Proceedings of the Platform for Advanced Scientific Computing Conference, June. https://doi.org/10.1145/3324989.3325719.

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Rodgers, Arthur J., Arben Pitarka, and David B. McCallen. 2019. “The Effect of Fault Geometry and Minimum Shear Wavespeed on 3D Ground-Motion Simulations for an Mw 6.5 Hayward Fault Scenario Earthquake, San Francisco Bay Area, Northern California.” Bulletin of the Seismological Society of America 109 (4): 1265–81. https://doi.org/10.1785/0120180290.

Johansen, Hans, Arthur Rodgers, N. Anders Petersson, David McCallen, Bjorn Sjogreen, and Mamun Miah. 2017. “Toward Exascale Earthquake Ground Motion Simulations for Near-Fault Engineering Analysis.” Computing in Science & Engineering 19 (5): 27–37. https://doi.org/10.1109/mcse.2017.3421558.

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Wang, Xinlei, Yuxing Qiu, Stuart R. Slattery, Yu Fang, Minchen Li, Song-Chun Zhu, Yixin Zhu, Min Tang, Dinesh Manocha, and Chenfanfu Jiang. 2020. “A Massively Parallel and Scalable Multi-GPU Material Point Method.” ACM Transactions on Graphics 39 (4). https://doi.org/10.1145/3386569.3392442.

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Khan, Arif, Krzysztof Choromanski, Alex Pothen, S. M. Ferdous, Mahantesh Halappanavar, and Antonino Tumeo. 2018. “Adaptive Anonymization of Data Using B-Edge Cover.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00062.

Ghosh, Sayan, Mahantesh Halappanavar, Ananth Kalyanaraman, Arif Khan, and Assefaw H. Gebremedhin. 2019. “Exploring MPI Communication Models for Graph Applications Using Graph Matching as a Case Study.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00085.

Minutoli, Marco, Mahantesh Halappanavar, Ananth Kalyanaraman, Arun Sathanur, Ryan Mcclure, and Jason McDermott. 2019. “Fast and Scalable Implementations of Influence Maximization Algorithms.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8890991.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, and Ananth Kalyanarainan. 2019. “Scaling and Quality of Modularity Optimization Methods for Graph Clustering.” 2019 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2019.8916299.

Liu, Xu T., Mahantesh Halappanavar, Kevin J. Barker, Andrew Lumsdaine, and Assefaw H. Gebremedhin. 2020. “Direction-Optimizing Label Propagation and Its Application to Community Detection.” Proceedings of the 17th ACM International Conference on Computing Frontiers, May. https://doi.org/10.1145/3387902.3392634.

Stoudt, M. R., M. E. Williams, L. E. Levine, A. Creuziger, S. A. Young, J. C. Heigel, B. M. Lane, and T. Q. Phan. 2020. “Location-Specific Microstructure Characterization Within IN625 Additive Manufacturing Benchmark Test Artifacts.” Integrating Materials and Manufacturing Innovation 9 (1): 54–69. https://doi.org/10.1007/s40192-020-00172-6.

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Zhang, Fan, Lyle E. Levine, Andrew J. Allen, Sandra W. Young, Maureen E. Williams, Mark R. Stoudt, Kil-Won Moon, Jarred C. Heigel, and Jan Ilavsky. 2019. “Phase Fraction and Evolution of Additively Manufactured (AM) 15-5 Stainless Steel and Inconel 625 AM-Bench Artifacts.” Integrating Materials and Manufacturing Innovation 8 (3): 362–77. https://doi.org/10.1007/s40192-019-00148-1.

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Shi, Rongpei, Saad Khairallah, Tae Wook Heo, Matthew Rolchigo, Joseph T. McKeown, and Manyalibo J. Matthews. 2019. “Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response.” JOM 71 (10): 3640–55. https://doi.org/10.1007/s11837-019-03618-1.

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Aaziz, Omar, Jeanine Cook, Courtenay Vaughan, and David Richards. 2019. “Proxy or Imposter? A Method and Case Study to Determine the Answer.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891049.

Bernholdt, David E., Swen Boehm, George Bosilca, Manjunath Gorentla Venkata, Ryan E. Grant, Thomas Naughton, Howard P. Pritchard, Martin Schulz, and Geoffroy R. Vallee. 2018. “A Survey of MPI Usage in the US Exascale Computing Project.” Concurrency and Computation: Practice and Experience 32 (3). https://doi.org/10.1002/cpe.4851.

Abdelfattah, Ahmad, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2018. “Optimizing GPU Kernels for Irregular Batch Workloads: A Case Study for Cholesky Factorization.” 2018 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2018.8547576.

Merzari, E., H. Yuan, A. Kraus, A. Obabko, P. Fischer, J. Solberg, S. Lee, J. Lai, M. Delgado, and Y. Hassan. 2018. “High-Fidelity Simulation of Flow-Induced Vibrations in Helical Steam Generators for Small Modular Reactors.” Nuclear Technology 205 (1–2): 33–47. https://doi.org/10.1080/00295450.2018.1490124.

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Zaki, George F., Justin M. Wozniak, Jonathan Ozik, Nicholson Collier, Thomas Brettin, and Rick Stevens. 2018. “Portable and Reusable Deep Learning Infrastructure with Containers to Accelerate Cancer Studies.” 2018 IEEE/ACM 4th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), November. https://doi.org/10.1109/espm2.2018.00011.

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Kurzak, Jakub, Mark Gates, Ali Charara, Asim YarKhan, and Jack Dongarra. 2019. “Least Squares Solvers for Distributed-Memory Machines with GPU Accelerators.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3330345.3330356.

Kurzak, Jakub, Mark Gates, Ali Charara, Asim YarKhan, Ichitaro Yamazaki, and Jack Dongarra. 2019. “Linear Systems Solvers for Distributed-Memory Machines with GPU Accelerators.” Euro-Par 2019: Parallel Processing, 495–506. https://doi.org/10.1007/978-3-030-29400-7_35.

Gates, Mark, Jakub Kurzak, Ali Charara, Asim YarKhan, and Jack Dongarra. 2019. “SLATE.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356223.

Tsai, Karen C., Roxana Bujack, Berk Geveci, Utkarsh Ayachit, and James Ahrens. 2020. “Approaches for In Situ Computation of Moments in a Data-Parallel Environment.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20201075.

Li, Shaomeng, Matthew Larsen, John Clyne, and Hank Childs. 2017. “Performance Impacts of In Situ Wavelet Compression on Scientific Simulations.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3144769.3144773.

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Ayala, Alan, Stanimire Tomov, Azzam Haidar, and Jack Dongarra. 2020. “HeFFTe: Highly Efficient FFT for Exascale.” Computational Science – ICCS 2020, 262–75. https://doi.org/10.1007/978-3-030-50371-0_19.

Kale, Vivek, Christian Iwainsky, Michael Klemm, Jonas H. Müller Korndörfer, and Florina M. Ciorba. 2019. “Toward a Standard Interface for User-Defined Scheduling in OpenMP.” Lecture Notes in Computer Science, 186–200. https://doi.org/10.1007/978-3-030-28596-8_13.

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Laguna, Ignacio, Ryan Marshall, Kathryn Mohror, Martin Ruefenacht, Anthony Skjellum, and Nawrin Sultana. 2019. “A Large-Scale Study of MPI Usage in Open-Source HPC Applications.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356176.

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Skjellum, Anthony, Martin Rüfenacht, Nawrin Sultana, Derek Schafer, Ignacio Laguna, and Kathryn Mohror. 2020. “ExaMPI: A Modern Design and Implementation to Accelerate Message Passing Interface Innovation.” High Performance Computing, 153–69. https://doi.org/10.1007/978-3-030-41005-6_11.

Zhong, Dong, Aurelien Bouteiller, Xi Luo, and George Bosilca. 2019. “Runtime Level Failure Detection and Propagation in HPC Systems.” Proceedings of the 26th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3343211.3343225.

Schuchart, Joseph, Aurelien Bouteiller, and George Bosilca. 2019. “Using MPI-3 RMA for Active Messages.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00011.

Ayala, Alan, Stanimire Tomov, Xi Luo, Hejer Shaeik, Azzam Haidar, George Bosilca, and Jack Dongarra. 2019. “Impacts of Multi-GPU MPI Collective Communications on Large FFT Computation.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00007.

Patinyasakdikul, Thananon, Xi Luo, David Eberius, and George Bosilca. 2019. “Multirate: A Flexible MPI Benchmark for Fast Assessment of Multithreaded Communication Performance.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00006.

Patinyasakdikul, Thananon, David Eberius, George Bosilca, and Nathan Hjelm. 2019. “Give MPI Threading a Fair Chance: A Study of Multithreaded MPI Designs.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891015.

Hjelm, Nathan, Howard Pritchard, Samuel K. Gutierrez, Daniel J. Holmes, Ralph Castain, and Anthony Skjellum. 2019. “MPI Sessions: Evaluation of an Implementation in Open MPI.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891002.

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Mewes, Vassilios, Yosef Zlochower, Manuela Campanelli, Thomas W. Baumgarte, Zachariah B. Etienne, Federico G. Lopez Armengol, and Federico Cipolletta. 2020. “Numerical Relativity in Spherical Coordinates: A New Dynamical Spacetime and General Relativistic MHD Evolution Framework for the Einstein Toolkit.” Physical Review D 101 (10). https://doi.org/10.1103/physrevd.101.104007.

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Mutlu, Erdal, Karol Kowalski, and Sriram Krishnamoorthy. 2019. “Toward Generalized Tensor Algebra for Ab Initio Quantum Chemistry Methods.” Proceedings of the 6th ACM SIGPLAN International Workshop on Libraries, Languages and Compilers for Array Programming, June. https://doi.org/10.1145/3315454.3329958.

Mubarak, Misbah, Neil McGlohon, Malek Musleh, Eric Borch, Robert B. Ross, Ram Huggahalli, Sudheer Chunduri, Scott Parker, Christopher D. Carothers, and Kalyan Kumaran. 2019. “Evaluating Quality of Service Traffic Classes on the Megafly Network.” High Performance Computing, 3–20. https://doi.org/10.1007/978-3-030-20656-7_1.

McGlohon, Neil, Robert B. Ross, and Christopher D. Carothers. 2020. “Evaluation of Link Failure Resilience in Multirail Dragonfly-Class Networks through Simulation.” Proceedings of the 2020 ACM SIGSIM Conference on Principles of Advanced Discrete Simulation, June. https://doi.org/10.1145/3384441.3395989.

Dasgupta, Medhanjali, Dominik Budday, Saulo H. P. de Oliveira, Peter Madzelan, Darya Marchany-Rivera, Javier Seravalli, Brandon Hayes, et al. 2019. “Mix-and-Inject XFEL Crystallography Reveals Gated Conformational Dynamics during Enzyme Catalysis.” Proceedings of the National Academy of Sciences 116 (51): 25634–40. https://doi.org/10.1073/pnas.1901864116.

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Barra, Valeria, Jed Brown, Jeremy Thompson, and Yohann Dudouit. 2020. “High-Performance Operator Evaluations with Ease of Use: LibCEED’s Python Interface.” Proceedings of the 19th Python in Science Conference. https://doi.org/10.25080/majora-342d178e-00c.

Garcia-Cardona, Cristina, Ramakrishnan Kannan, Travis Johnston, Thomas Proffen, Katharine Page, and Sudip K. Seal. 2019. “Learning to Predict Material Structure from Neutron Scattering Data.” 2019 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata47090.2019.9005968.

Pei, Yu, Qinglei Cao, George Bosilca, Piotr Luszczek, Victor Eijkhout, and Jack Dongarra. 2020. “Communication Avoiding 2D Stencil Implementations over PaRSEC Task-Based Runtime.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00127.

Cao, Qinglei, Yu Pei, Kadir Akbudak, Aleksandr Mikhalev, George Bosilca, Hatem Ltaief, David Keyes, and Jack Dongarra. 2020. “Extreme-Scale Task-Based Cholesky Factorization Toward Climate and Weather Prediction Applications.” Proceedings of the Platform for Advanced Scientific Computing Conference, June. https://doi.org/10.1145/3394277.3401846.

Herault, Thomas, Yves Robert, George Bosilca, and Jack Dongarra. 2019. “Generic Matrix Multiplication for Multi-GPU Accelerated Distributed-Memory Platforms over PaRSEC.” 2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), November. https://doi.org/10.1109/scala49573.2019.00010.

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Doerfert, Johannes, and Hal Finkel. 2018. “Compiler Optimizations for OpenMP.” Lecture Notes in Computer Science, 113–27. https://doi.org/10.1007/978-3-319-98521-3_8.

Chien, Steven, Ivy Peng, and Stefano Markidis. 2019. “Performance Evaluation of Advanced Features in CUDA Unified Memory.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), November. https://doi.org/10.1109/mchpc49590.2019.00014.

Peng, Ivy B., and Jeffrey S. Vetter. 2018. “Siena: Exploring the Design Space of Heterogeneous Memory Systems.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00036.

Peng, Ivy B., Maya B. Gokhale, and Eric W. Green. 2019. “System Evaluation of the Intel Optane Byte-Addressable NVM.” Proceedings of the International Symposium on Memory Systems, September. https://doi.org/10.1145/3357526.3357568.

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Chen, Yu, Ivy B. Peng, Zhen Peng, Xu Liu, and Bin Ren. 2020. “ATMem: Adaptive Data Placement in Graph Applications on Heterogeneous Memories.” Proceedings of the 18th ACM/IEEE International Symposium on Code Generation and Optimization, February. https://doi.org/10.1145/3368826.3377922.

Peng, Ivy, Kai Wu, Jie Ren, Dong Li, and Maya Gokhale. 2020. “Demystifying the Performance of HPC Scientific Applications on NVM-Based Memory Systems.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00098.

Bak, Seonmyeong, Yanfei Guo, Pavan Balaji, and Vivek Sarkar. 2019. “Optimized Execution of Parallel Loops via User-Defined Scheduling Policies.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337913.

Diaz, Jose Monsalve, Swaroop Pophale, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2018. “OpenMP 4.5 Validation and Verification Suite for Device Offload.” Lecture Notes in Computer Science, 82–95. https://doi.org/10.1007/978-3-319-98521-3_6.

Mishra, Alok, Lingda Li, Martin Kong, Hal Finkel, and Barbara Chapman. 2017. “Benchmarking and Evaluating Unified Memory for OpenMP GPU Offloading.” Proceedings of the Fourth Workshop on the LLVM Compiler Infrastructure in HPC, November. https://doi.org/10.1145/3148173.3148184.

Li, Lingda, Hal Finkel, Martin Kong, and Barbara Chapman. 2018. “Manage OpenMP GPU Data Environment Under Unified Address Space.” Lecture Notes in Computer Science, 69–81. https://doi.org/10.1007/978-3-319-98521-3_5.

Doerfert, Johannes, and Hal Finkel. 2019. “Compiler Optimizations for Parallel Programs.” Lecture Notes in Computer Science, 112–19. https://doi.org/10.1007/978-3-030-34627-0_9.

Diaz, Jose Monsalve, Swaroop Pophale, Kyle Friedline, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2018. “Evaluating Support for OpenMP Offload Features.” Proceedings of the 47th International Conference on Parallel Processing Companion, August. https://doi.org/10.1145/3229710.3229717.

Li, Lingda, and Barbara Chapman. 2019. “Compiler Assisted Hybrid Implicit and Explicit GPU Memory Management under Unified Address Space.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356141.

Yang, L., and B. D. Wirth. 2020. “First-Principles Study of Hydrogen Behavior near W/WC Interfaces.” Journal of Applied Physics 127 (11): 115107. https://doi.org/10.1063/1.5141761.

Yang, L., and B.D. Wirth. 2020. “Carbon Clustering and Effect on Hydrogen Trapping in Tungsten: A First-Principles Study.” Computational Materials Science 184 (November): 109932. https://doi.org/10.1016/j.commatsci.2020.109932.

Zamora, R. J., D. Perez, E. Martinez, B. P. Uberuaga, and A. F. Voter. 2019. “Accelerated Molecular Dynamics Methods in a Massively Parallel World.” Handbook of Materials Modeling, October, 1–28. https://doi.org/10.1007/978-3-319-42913-7_25-2.

Garmon, Andrew, and Danny Perez. 2020. “Exploiting Model Uncertainty to Improve the Scalability of Long-Time Simulations Using Parallel Trajectory Splicing.” Modelling and Simulation in Materials Science and Engineering 28 (6): 065015. https://doi.org/10.1088/1361-651x/aba511.

Eisty, Nasir U., Danny Perez, Jeffrey C. Carver, J. David Moulton, and Hai Ah Nam. 2020. “Testing Research Software: A Case Study.” Computational Science – ICCS 2020, 457–63. https://doi.org/10.1007/978-3-030-50436-6_33.

Plimpton, Steven J., Danny Perez, and Arthur F. Voter. 2020. “Parallel Algorithms for Hyperdynamics and Local Hyperdynamics.” The Journal of Chemical Physics 153 (5): 054116. https://doi.org/10.1063/5.0014448.

Vay, J.-L., A. Almgren, J. Bell, L. Ge, D.P. Grote, M. Hogan, O. Kononenko, et al. 2018. “Warp-X: A New Exascale Computing Platform for Beam–Plasma Simulations.” Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 909 (November): 476–79. https://doi.org/10.1016/j.nima.2018.01.035.

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Kirchen, Manuel, Remi Lehe, Soeren Jalas, Olga Shapoval, Jean-Luc Vay, and Andreas R. Maier. 2020. “Scalable Spectral Solver in Galilean Coordinates for Eliminating the Numerical Cherenkov Instability in Particle-in-Cell Simulations of Streaming Plasmas.” Physical Review E 102 (1). https://doi.org/10.1103/physreve.102.013202.

Hargrove, Paul H., and Dan Bonachea. 2018. “GASNet-EX Performance Improvements Due to Specialization for the Cray Aries Network.” 2018 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm.2018.00008.

Anzt, Hartwig, Tobias Ribizel, Goran Flegar, Edmond Chow, and Jack Dongarra. 2019. “ParILUT - A Parallel Threshold ILU for GPUs.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00033.

Anzt, Hartwig, Erik Boman, Rob Falgout, Pieter Ghysels, Michael Heroux, Xiaoye Li, Lois Curfman McInnes, et al. 2020. “Preparing Sparse Solvers for Exascale Computing.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190053. https://doi.org/10.1098/rsta.2019.0053.

Tsai, Yuhsiang M., Terry Cojean, and Hartwig Anzt. 2020. “Sparse Linear Algebra on AMD and NVIDIA GPUs – The Race Is On.” High Performance Computing, 309–27. https://doi.org/10.1007/978-3-030-50743-5_16.

Scogland, Thomas R. W., Dan Sunderland, Stephen L. Olivier, David S. Hollman, Noah Evans, and Bronis R. de Supinski. 2019. “Making OpenMP Ready for C++ Executors.” Lecture Notes in Computer Science, 320–32. https://doi.org/10.1007/978-3-030-28596-8_22.

Sreenivasan, Vinu, Rajath Javali, Mary Hall, Prasanna Balaprakash, Thomas R. W. Scogland, and Bronis R. de Supinski. 2019. “A Framework for Enabling OpenMP Autotuning.” Lecture Notes in Computer Science, 50–60. https://doi.org/10.1007/978-3-030-28596-8_4.

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Kruse, Michael, and Hal Finkel. 2019. “Design and Use of Loop-Transformation Pragmas.” Lecture Notes in Computer Science, 125–39. https://doi.org/10.1007/978-3-030-28596-8_9.

Iwasaki, Shintaro, Abdelhalim Amer, Kenjiro Taura, Sangmin Seo, and Pavan Balaji. 2019. “BOLT: Optimizing OpenMP Parallel Regions with User-Level Threads.” 2019 28th International Conference on Parallel Architectures and Compilation Techniques (PACT), September. https://doi.org/10.1109/pact.2019.00011.

Li, Jiali, Bogdan Nicolae, Justin Wozniak, and George Bosilca. 2019. “Understanding Scalability and Fine-Grain Parallelism of Synchronous Data Parallel Training.” 2019 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc49564.2019.00006.

Tseng, Shu-Mei, Bogdan Nicolae, George Bosilca, Emmanuel Jeannot, Aparna Chandramowlishwaran, and Franck Cappello. 2019. “Towards Portable Online Prediction of Network Utilization Using MPI-Level Monitoring.” Euro-Par 2019: Parallel Processing, 47–60. https://doi.org/10.1007/978-3-030-29400-7_4.

Nicolae, Bogdan, Adam Moody, Elsa Gonsiorowski, Kathryn Mohror, and Franck Cappello. 2019. “VeloC: Towards High Performance Adaptive Asynchronous Checkpointing at Large Scale.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00099.

Dey, Tonmoy, Kento Sato, Bogdan Nicolae, Jian Guo, Jens Domke, Weikuan Yu, Franck Cappello, and Kathryn Mohror. 2020. “Optimizing Asynchronous Multi-Level Checkpoint/Restart Configurations with Machine Learning.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00174.

Kang, Qiao, Sunwoo Lee, Kaiyuan Hou, Robert Ross, Ankit Agrawal, Alok Choudhary, and Wei-keng Liao. 2020. “Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation.” IEEE Transactions on Parallel and Distributed Systems 31 (11): 2682–95. https://doi.org/10.1109/tpds.2020.3000458.

Jia, Zhihao, Oded Padon, James Thomas, Todd Warszawski, Matei Zaharia, and Alex Aiken. 2019. “TASO.” Proceedings of the 27th ACM Symposium on Operating Systems Principles, October. https://doi.org/10.1145/3341301.3359630.

Childs, Hank, Janine Bennett, Christoph Garth, and Bernd Hentschel. 2019. “In Situ Visualization for Computational Science.” IEEE Computer Graphics and Applications 39 (6): 76–85. https://doi.org/10.1109/mcg.2019.2936674.

Wozniak, Justin M., Matthieu Dorier, Robert Ross, Tong Shu, Tahsin Kurc, Li Tang, Norbert Podhorszki, and Matthew Wolf. 2019. “MPI Jobs within MPI Jobs: A Practical Way of Enabling Task-Level Fault-Tolerance in HPC Workflows.” Future Generation Computer Systems 101 (December): 576–89. https://doi.org/10.1016/j.future.2019.05.020.

Byna, Suren, M. Scot Breitenfeld, Bin Dong, Quincey Koziol, Elena Pourmal, Dana Robinson, Jerome Soumagne, Houjun Tang, Venkatram Vishwanath, and Richard Warren. 2020. “ExaHDF5: Delivering Efficient Parallel I/O on Exascale Computing Systems.” Journal of Computer Science and Technology 35 (1): 145–60. https://doi.org/10.1007/s11390-020-9822-9.

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Jain, Rajeev, Xuan Luo, Gökhan Sever, Tianzhen Hong, and Charlie Catlett. 2018. “Representation and Evolution of Urban Weather Boundary Conditions in Downtown Chicago.” Journal of Building Performance Simulation 13 (2): 182–94. https://doi.org/10.1080/19401493.2018.1534275.

Li, Ang, Shuaiwen Leon Song, Jieyang Chen, Jiajia Li, Xu Liu, Nathan R. Tallent, and Kevin J. Barker. 2020. “Evaluating Modern GPU Interconnect: PCIe, NVLink, NV-SLI, NVSwitch and GPUDirect.” IEEE Transactions on Parallel and Distributed Systems 31 (1): 94–110. https://doi.org/10.1109/tpds.2019.2928289.

Grannan, A, K Sood, B Norris, and A Dubey. 2020. “Understanding the Landscape of Scientific Software Used on High-Performance Computing Platforms.” The International Journal of High Performance Computing Applications 34 (4): 465–77. https://doi.org/10.1177/1094342019899451.

Harper, Sterling M., Paul K. Romano, Benoit Forget, and Kord S. Smith. 2020. “Threadsafe Dynamic Neighbor Lists for Monte Carlo Ray Tracing.” Nuclear Science and Engineering 194 (11): 1009–15. https://doi.org/10.1080/00295639.2020.1719765.

Yelick, Katherine, Aydın Buluç, Muaaz Awan, Ariful Azad, Benjamin Brock, Rob Egan, Saliya Ekanayake, et al. 2020. “The Parallelism Motifs of Genomic Data Analysis.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190394. https://doi.org/10.1098/rsta.2019.0394.

Alexander, Francis, Ann Almgren, John Bell, Amitava Bhattacharjee, Jacqueline Chen, Phil Colella, David Daniel, et al. 2020. “Exascale Applications: Skin in the Game.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190056. https://doi.org/10.1098/rsta.2019.0056.

Sabau, Adrian S., Lang Yuan, Narendran Raghavan, Matthew Bement, Srdjan Simunovic, John A. Turner, and Vipul K. Gupta. 2020. “Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625.” Metallurgical and Materials Transactions B 51 (3): 1263–81. https://doi.org/10.1007/s11663-020-01808-w.

Hourahine, B., B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, et al. 2020. “DFTB+, a Software Package for Efficient Approximate Density Functional Theory Based Atomistic Simulations.” The Journal of Chemical Physics 152 (12): 124101. https://doi.org/10.1063/1.5143190.

Young, M. Todd, Jacob D. Hinkle, Ramakrishnan Kannan, and Arvind Ramanathan. 2020. “Distributed Bayesian Optimization of Deep Reinforcement Learning Algorithms.” Journal of Parallel and Distributed Computing 139 (May): 43–52. https://doi.org/10.1016/j.jpdc.2019.07.008.

Losada, Nuria, Patricia González, María J. Martín, George Bosilca, Aurélien Bouteiller, and Keita Teranishi. 2020. “Fault Tolerance of MPI Applications in Exascale Systems: The ULFM Solution.” Future Generation Computer Systems 106 (May): 467–81. https://doi.org/10.1016/j.future.2020.01.026.

Rio, Adrian del, Nicolas Sanchis-Gual, Vassilios Mewes, Ivan Agullo, José A. Font, and Jose Navarro-Salas. 2020. “Spontaneous Creation of Circularly Polarized Photons in Chiral Astrophysical Systems.” Physical Review Letters 124 (21). https://doi.org/10.1103/physrevlett.124.211301.

Iwasaki, Shintaro, Abdelhalim Amer, Kenjiro Taura, and Pavan Balaji. 2020. “Analyzing the Performance Trade-Off in Implementing User-Level Threads.” IEEE Transactions on Parallel and Distributed Systems 31 (8): 1859–77. https://doi.org/10.1109/tpds.2020.2976057.

Kumar, Shikhar, Benoit Forget, and Kord Smith. 2020. “Stationarity Diagnostics Using Functional Expansion Tallies.” Annals of Nuclear Energy 143 (August): 107388. https://doi.org/10.1016/j.anucene.2020.107388.

Zhang, Yongzhe, Ariful Azad, and Aydın Buluç. 2020. “Parallel Algorithms for Finding Connected Components Using Linear Algebra.” Journal of Parallel and Distributed Computing 144 (October): 14–27. https://doi.org/10.1016/j.jpdc.2020.04.009.

Anzt, Hartwig, Erik Boman, Rob Falgout, Pieter Ghysels, Michael Heroux, Xiaoye Li, Lois Curfman McInnes, et al. 2020. “Preparing Sparse Solvers for Exascale Computing.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190053. https://doi.org/10.1098/rsta.2019.0053.

Dobrian, Florin, Mahantesh Halappanavar, Alex Pothen, and Ahmed Al-Herz. 2019. “A 2/3-Approximation Algorithm for Vertex Weighted Matching in Bipartite Graphs.” SIAM Journal on Scientific Computing 41 (1): A566–91. https://doi.org/10.1137/17m1140029.

Pothen, Alex, S. M. Ferdous, and Fredrik Manne. 2019. “Approximation Algorithms in Combinatorial Scientific Computing.” Acta Numerica 28 (May): 541–633. https://doi.org/10.1017/s0962492919000035.

Acer, Seher, Erik G. Boman, and Sivasankaran Rajamanickam. 2020. “SPHYNX: Spectral Partitioning for HYbrid aNd AXelerator-Enabled Systems.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00082.

Mittal, Ketan, and Paul Fischer. 2018. “Mesh Smoothing for the Spectral Element Method.” Journal of Scientific Computing 78 (2): 1152–73. https://doi.org/10.1007/s10915-018-0812-9.

Mittal, Ketan, Som Dutta, and Paul Fischer. 2019. “Nonconforming Schwarz-Spectral Element Methods for Incompressible Flow.” Computers & Fluids 191 (September): 104237. https://doi.org/10.1016/j.compfluid.2019.104237.

Lu, Li, Murtazo Nazarov, and Paul Fischer. 2019. “Nonlinear Artificial Viscosity for Spectral Element Methods.” Comptes Rendus Mathematique 357 (7): 646–54. https://doi.org/10.1016/j.crma.2019.07.006.

Otero, Evelyn, Jing Gong, Misun Min, Paul Fischer, Philipp Schlatter, and Erwin Laure. 2019. “OpenACC Acceleration for the PN–PN-2 Algorithm in Nek5000.” Journal of Parallel and Distributed Computing 132 (October): 69–78">http://Www.W3.Org/1998/Math/MathML" Display="inline" Id="d1e251" Altimg="si5.Svg">PN–PN-2 Algorithm in Nek5000.” Journal of Parallel and Distributed Computing 132 (October): 69–78. https://doi.org/10.1016/j.jpdc.2019.05.010.

Dobrev, Veselin, Patrick Knupp, Tzanio Kolev, and Vladimir Tomov. 2019. “Towards Simulation-Driven Optimization of High-Order Meshes by the Target-Matrix Optimization Paradigm.” 27th International Meshing Roundtable, 285–302. https://doi.org/10.1007/978-3-030-13992-6_16.

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2019. “Fast Batched Matrix Multiplication for Small Sizes Using Half-Precision Arithmetic on GPUs.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00022.

Bello-Maldonado, Pedro D., and Paul F. Fischer. 2019. “Scalable Low-Order Finite Element Preconditioners for High-Order Spectral Element Poisson Solvers.” SIAM Journal on Scientific Computing 41 (5): S2–18. https://doi.org/10.1137/18m1194997.

Merzari, Elia, Paul Fischer, Misun Min, Stefan Kerkemeier, Aleksandr Obabko, Dillon Shaver, Haomin Yuan, et al. 2020. “Toward Exascale: Overview of Large Eddy Simulations and Direct Numerical Simulations of Nuclear Reactor Flows with the Spectral Element Method in Nek5000.” Nuclear Technology 206 (9): 1308–24. https://doi.org/10.1080/00295450.2020.1748557.

Hajduk, Hennes, Dmitri Kuzmin, Tzanio Kolev, Vladimir Tomov, Ignacio Tomas, and John N. Shadid. 2020. “Matrix-Free Subcell Residual Distribution for Bernstein Finite Elements: Monolithic Limiting.” Computers & Fluids 200 (March): 104451. https://doi.org/10.1016/j.compfluid.2020.104451.

Dobrev, Veselin, Patrick Knupp, Tzanio Kolev, Ketan Mittal, Robert Rieben, and Vladimir Tomov. 2020. “Simulation-Driven Optimization of High-Order Meshes in ALE Hydrodynamics.” Computers & Fluids 208 (August): 104602. https://doi.org/10.1016/j.compfluid.2020.104602.

Xie, Cong, Wonyong Jeong, Gyorgy Matyasfalvi, Hubertus Van Dam, Klaus Mueller, Shinjae Yoo, and Wei Xu. 2019. “Exploratory Visual Analysis of Anomalous Runtime Behavior in Streaming High Performance Computing Applications.” Computational Science – ICCS 2019, 153–67. https://doi.org/10.1007/978-3-030-22734-0_12.

Aaziz, Omar, Courtenay Vaughan, Jonathan Cook, Jeanine Cook, Jeffery Kuehn, and David Richards. 2019. “Fine-Grained Analysis of Communication Similarity between Real and Proxy Applications.” 2019 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs49563.2019.00016.

Ellis, Marquita, Giulia Guidi, Aydın Buluç, Leonid Oliker, and Katherine Yelick. 2019. “DiBELLA.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337919.

Zhang, Yongzhe, Ariful Azad, and Zhenjiang Hu. 2020. “FastSV: A Distributed-Memory Connected Component Algorithm with Fast Convergence.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 46–57. https://doi.org/10.1137/1.9781611976137.5.

Yoon, Hong-Jun, John Gounley, Shang Gao, Mohammed Alawad, Arvind Ramanathan, and Georgia Tourassi. 2019. “Model-Based Hyperparameter Optimization of Convolutional Neural Networks for Information Extraction from Cancer Pathology Reports on HPC.” 2019 IEEE EMBS International Conference on Biomedical & Health Informatics (BHI), May. https://doi.org/10.1109/bhi.2019.8834674.

Sigler, Devon, Jonathan Maack, Ignas Satkauskas, Matthew Reynolds, and Wesley Jones. 2020. “Scalable Transmission Expansion Under Uncertainty Using Three-Stage Stochastic Optimization.” 2020 IEEE Power & Energy Society Innovative Smart Grid Technologies Conference (ISGT), February. https://doi.org/10.1109/isgt45199.2020.9087776.

Thévenet, Maxence, Daniel E. Mittelberger, Kei Nakamura, Rémi Lehe, Carl B. Schroeder, Jean-Luc Vay, Eric Esarey, and Wim P. Leemans. 2019. “Pulse Front Tilt Steering in Laser Plasma Accelerators.” Physical Review Accelerators and Beams 22 (7). https://doi.org/10.1103/physrevaccelbeams.22.071301.

Sturdevant, Benjamin J., Scott E. Parker, C. S. Chang, and Robert Hager. 2020. “Verification of an Improved Equation-Free Projective Integration Method for Neoclassical Plasma-Profile Evolution in Tokamak Geometry.” Physics of Plasmas 27 (3): 032505. https://doi.org/10.1063/1.5141337.

Kerby, L. 2019. “Volumetric Spherical Polynomials.” AIP Advances 9 (6): 065107. https://doi.org/10.1063/1.5086695.

Homerding, Brian, and John Tramm. 2020. “Evaluating the Performance of the HipSYCL Toolchain for HPC Kernels on NVIDIA V100 GPUs.” Proceedings of the International Workshop on OpenCL, April. https://doi.org/10.1145/3388333.3388660.

Ge, Wenjun, Ramanan Sankaran, and Jacqueline H. Chen. 2020. “Development of a CPU/GPU Portable Software Library for Lagrangian–Eulerian Simulations of Liquid Sprays.” International Journal of Multiphase Flow 128 (July): 103293. https://doi.org/10.1016/j.ijmultiphaseflow.2020.103293.

Kent, P. R. C., Abdulgani Annaberdiyev, Anouar Benali, M. Chandler Bennett, Edgar Josué Landinez Borda, Peter Doak, Hongxia Hao, et al. 2020. “QMCPACK: Advances in the Development, Efficiency, and Application of Auxiliary Field and Real-Space Variational and Diffusion Quantum Monte Carlo.” The Journal of Chemical Physics 152 (17): 174105. https://doi.org/10.1063/5.0004860.

Cusentino, M. A., M. A. Wood, and A. P. Thompson. 2020. “Explicit Multielement Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems.” The Journal of Physical Chemistry A 124 (26): 5456–64. https://doi.org/10.1021/acs.jpca.0c02450.

Richard, Ryan M., Colleen Bertoni, Jeffery S. Boschen, Kristopher Keipert, Benjamin Pritchard, Edward F. Valeev, Robert J. Harrison, Wibe A. de Jong, and Theresa L. Windus. 2019. “Developing a Computational Chemistry Framework for the Exascale Era.” Computing in Science & Engineering 21 (2): 48–58. https://doi.org/10.1109/mcse.2018.2884921.

Bylaska, Eric J, Kevin Waters, Eric D Hermes, Judit Zádor, and Kevin M Rosso. 2020. “A Filon-like Integration Strategy for Calculating Exact Exchange in Periodic Boundary Conditions: A Plane-Wave DFT Implementation.” Materials Theory 4 (1). https://doi.org/10.1186/s41313-020-00019-9.

Joo, Balint, Thorsten Kurth, M. A. Clark, Jeongnim Kim, Christian Robert Trott, Dan Ibanez, Daniel Sunderland, and Jack Deslippe. 2019. “Performance Portability of a Wilson Dslash Stencil Operator Mini-App Using Kokkos and SYCL.” 2019 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc49587.2019.00007.

Binyahib, Roba, David Pugmire, and Hank Childs. 2019. “In Situ Particle Advection via Parallelizing over Particles.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3364228.3364235.

Ibrahim, Seif, Thomas Stitt, Matthew Larsen, and Cyrus Harrison. 2019. “Interactive in Situ Visualization and Analysis Using Ascent and Jupyter.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3364228.3364232.

Carr, Hamish A., Gunther H. Weber, Christopher M. Sewell, Oliver Rubel, Patricia Fasel, and James P. Ahrens. 2021. “Scalable Contour Tree Computation by Data Parallel Peak Pruning.” IEEE Transactions on Visualization and Computer Graphics 27 (4): 2437–54. https://doi.org/10.1109/tvcg.2019.2948616.

Noordsij, Lennart, Steven van der Vlugt, Mohamed A. Bamakhrama, Zaid Al-Ars, and Peter Lindstrom. 2020. “Parallelization of Variable Rate Decompression through Metadata.” 2020 28th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP), March. https://doi.org/10.1109/pdp50117.2020.00045.

Loe, Jennifer A., Heidi K. Thornquist, and Erik G. Boman. 2020. “Polynomial Preconditioned GMRES in Trilinos: Practical Considerations for High-Performance Computing.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 35–45. https://doi.org/10.1137/1.9781611976137.4.

Ding, Nan, Samuel Williams, Yang Liu, and Xiaoye S. Li. 2020. “Leveraging One-Sided Communication for Sparse Triangular Solvers.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 93–105. https://doi.org/10.1137/1.9781611976137.9.

Liu, Yang, Wissam Sid-Lakhdar, Elizaveta Rebrova, Pieter Ghysels, and Xiaoye Sherry Li. 2020. “A Parallel Hierarchical Blocked Adaptive Cross Approximation Algorithm.” The International Journal of High Performance Computing Applications 34 (4): 394–408. https://doi.org/10.1177/1094342020918305.

Dener, Alp, and Todd Munson. 2019. “Accelerating Limited-Memory Quasi-Newton Convergence for Large-Scale Optimization.” Computational Science – ICCS 2019, 495–507. https://doi.org/10.1007/978-3-030-22744-9_39.

Luszczek, Piotr, Ichitaro Yamazaki, and Jack Dongarra. 2019. “Increasing Accuracy of Iterative Refinement in Limited Floating-Point Arithmetic on Half-Precision Accelerators.” 2019 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2019.8916392.

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Wei, Lai, and John Mellor-Crummey. 2020. “Using Sample-Based Time Series Data for Automated Diagnosis of Scalability Losses in Parallel Programs.” Proceedings of the 25th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3332466.3374538.

Danalis, Anthony, Heike Jagode, Thomas Herault, Piotr Luszczek, and Jack Dongarra. 2019. “Software-Defined Events through PAPI.” 2019 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw.2019.00069.

Perarnau, Swann, Brian C. Van Essen, Roberto Gioiosa, Kamil Iskra, Maya B. Gokhale, Kazutomo Yoshii, and Pete Beckman. 2019. “Argo.” High-Performance Computing Series, 199–220. https://doi.org/10.1007/978-981-13-6624-6_12.

Bachan, John, Scott B. Baden, Steven Hofmeyr, Mathias Jacquelin, Amir Kamil, Dan Bonachea, Paul H. Hargrove, and Hadia Ahmed. 2019. “UPC++: A High-Performance Communication Framework for Asynchronous Computation.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00104.

Pei, Yu, George Bosilca, Ichitaro Yamazaki, Akihiro Ida, and Jack Dongarra. 2019. “Evaluation of Programming Models to Address Load Imbalance on Distributed Multi-Core CPUs: A Case Study with Block Low-Rank Factorization.” 2019 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm49560.2019.00008.

Cao, Qinglei , Yu Pei, Thomas Herault, Kadir Akbudak, Aleksandr Mikhalev, George Bosilca, Hatem Ltaief, David Keyes, and Jack Dongarra. 2019. “Performance Analysis of Tile Low-Rank Cholesky Factorization Using PaRSEC Instrumentation Tools.” 2019 IEEE/ACM International Workshop on Programming and Performance Visualization Tools (ProTools), November. https://doi.org/10.1109/protools49597.2019.00009.

Lee, Wonchan, Manolis Papadakis, Elliott Slaughter, and Alex Aiken. 2019. “A Constraint-Based Approach to Automatic Data Partitioning for Distributed Memory Execution.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356199.

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Bauer, Michael, and Michael Garland. 2019. “Legate NumPy.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356175.

Fischer, Paul, Misun Min, Thilina Rathnayake, Som Dutta, Tzanio Kolev, Veselin Dobrev, Jean-Sylvain Camier, et al. 2020. “Scalability of High-Performance PDE Solvers.” The International Journal of High Performance Computing Applications 34 (5): 562–86. https://doi.org/10.1177/1094342020915762.

Tsai, Karen C., Roxana Bujack, Berk Geveci, Utkarsh Ayachit, and James Ahrens. 2020. “Approaches for In Situ Computation of Moments in a Data-Parallel Environment.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20201075.

Yamazaki, Ichitaro, Stephen Thomas, Mark Hoemmen, Erik G. Boman, Katarzyna Świrydowicz, and James J. Elliott. 2020. “Low-Synchronization Orthogonalization Schemes for s-Step and Pipelined Krylov Solvers in Trilinos.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 118–28. https://doi.org/10.1137/1.9781611976137.11.

Sauter, Nicholas K., Jan Kern, Junko Yano, and James M. Holton. 2020. “Towards the Spatial Resolution of Metalloprotein Charge States by Detailed Modeling of XFEL Crystallographic Diffraction.” Acta Crystallographica Section D Structural Biology 76 (2): 176–92. https://doi.org/10.1107/s2059798320000418.

Balaprakash, Prasanna, Romain Egele, Misha Salim, Stefan Wild, Venkatram Vishwanath, Fangfang Xia, Tom Brettin, and Rick Stevens. 2019. “Scalable Reinforcement-Learning-Based Neural Architecture Search for Cancer Deep Learning Research.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356202.

Yoon, Hong-Jun, John Gounley, M. Todd Young, and Georgia Tourassi. 2019. “Information Extraction from Cancer Pathology Reports with Graph Convolution Networks for Natural Language Texts.” 2019 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata47090.2019.9006270.

Li, Jiali, Bogdan Nicolae, Justin Wozniak, and George Bosilca. 2019. “Understanding Scalability and Fine-Grain Parallelism of Synchronous Data Parallel Training.” 2019 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc49564.2019.00006.

Chavez, Gustavo, Yang Liu, Pieter Ghysels, Xiaoye Sherry Li, and Elizaveta Rebrova. 2020. “Scalable and Memory-Efficient Kernel Ridge Regression.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00102.

Zou, Xiangyu, Tao Lu, Wen Xia, Xuan Wang, Weizhe Zhang, Haijun Zhang, Sheng Di, Dingwen Tao, and Franck Cappello. 2020. “Performance Optimization for Relative-Error-Bounded Lossy Compression on Scientific Data.” IEEE Transactions on Parallel and Distributed Systems 31 (7): 1665–80. https://doi.org/10.1109/tpds.2020.2972548.

Zhao, Kai, Sheng Di, Xin Liang, Sihuan Li, Dingwen Tao, Zizhong Chen, and Franck Cappello. 2020. “Significantly Improving Lossy Compression for HPC Datasets with Second-Order Prediction and Parameter Optimization.” Proceedings of the 29th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3369583.3392688.

Kwack, JaeHyuk, Colleen Bertoni, Buu Pham, and Jeff Larkin. 2020. “Performance of the RI-MP2 Fortran Kernel of GAMESS on GPUs via Directive-Based Offloading with Math Libraries.” Lecture Notes in Computer Science, 91–113. https://doi.org/10.1007/978-3-030-49943-3_5.

Rolchigo, Matthew, Benjamin Stump, James Belak, and Alex Plotkowski. 2020. “Sparse Thermal Data for Cellular Automata Modeling of Grain Structure in Additive Manufacturing.” Modelling and Simulation in Materials Science and Engineering 28 (6): 065003. https://doi.org/10.1088/1361-651x/ab9734.

Poole, David, Jorge L. Galvez Vallejo, and Mark S. Gordon. 2020. “A New Kid on the Block: Application of Julia to Hartree–Fock Calculations.” Journal of Chemical Theory and Computation 16 (8): 5006–13. https://doi.org/10.1021/acs.jctc.0c00337.

Fang, Yuanwei, Chen Zou, Aaron J. Elmore, and Andrew A. Chien. 2017. “UDP.” Proceedings of the 50th Annual IEEE/ACM International Symposium on Microarchitecture, October. https://doi.org/10.1145/3123939.3123983.

Jin, Sian, Sheng Di, Xin Liang, Jiannan Tian, Dingwen Tao, and Franck Cappello. 2019. “DeepSZ.” Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3307681.3326608.

Krolewski, Alex, Khee-Gan Lee, Zarija Lukić, and Martin White. 2017. “Measuring Alignments between Galaxies and the Cosmic Web at z ∼ 2–3 Using IGM Tomography.” The Astrophysical Journal 837 (1): 31. https://doi.org/10.3847/1538-4357/837/1/31.

Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2018. “Improving Performance of Iterative Methods by Lossy Checkponting.” Proceedings of the 27th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3208040.3208050.

Biswas, Ayan, Soumya Dutta, Jesus Pulido, and James Ahrens. 2018. “In Situ Data-Driven Adaptive Sampling for Large-Scale Simulation Data Summarization.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3281464.3281467.

Tao, Dingwen, Sheng Di, Hanqi Guo, Zizhong Chen, and Franck Cappello. 2017. “Z-Checker: A Framework for Assessing Lossy Compression of Scientific Data.” The International Journal of High Performance Computing Applications 33 (2): 285–303. https://doi.org/10.1177/1094342017737147.

Xie, Cong, Wen Zhong, Wei Xu, and Klaus Mueller. 2018. “Visual Analytics of Heterogeneous Data Using Hypergraph Learning.” ACM Transactions on Intelligent Systems and Technology 10 (1): 1–26. https://doi.org/10.1145/3200765.

Cappello, Franck, Sheng Di, Sihuan Li, Xin Liang, Ali Murat Gok, Dingwen Tao, Chun Hong Yoon, Xin-Chuan Wu, Yuri Alexeev, and Frederic T Chong. 2019. “Use Cases of Lossy Compression for Floating-Point Data in Scientific Data Sets.” The International Journal of High Performance Computing Applications 33 (6): 1201–20. https://doi.org/10.1177/1094342019853336.

Hannah, W. M., C. R. Jones, B. R. Hillman, M. R. Norman, D. C. Bader, M. A. Taylor, L. R. Leung, et al. 2020. “Initial Results From the Super‐Parameterized E3SM.” Journal of Advances in Modeling Earth Systems 12 (1). https://doi.org/10.1029/2019ms001863.

Wu, Xingfu, Valerie Taylor, Justin M. Wozniak, Rick Stevens, Thomas Brettin, and Fangfang Xia. 2019. “Performance, Energy, and Scalability Analysis and Improvement of Parallel Cancer Deep Learning CANDLE Benchmarks.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337905.

Park, J., S. S. Bulanov, J. Bin, Q. Ji, S. Steinke, J.-L. Vay, C. G. R. Geddes, et al. 2019. “Ion Acceleration in Laser Generated Megatesla Magnetic Vortex.” Physics of Plasmas 26 (10): 103108. https://doi.org/10.1063/1.5094045.

Plimpton, S. J., S. G. Moore, A. Borner, A. K. Stagg, T. P. Koehler, J. R. Torczynski, and M. A. Gallis. 2019. “Direct Simulation Monte Carlo on Petaflop Supercomputers and Beyond.” Physics of Fluids 31 (8): 086101. https://doi.org/10.1063/1.5108534.

Ye, Jianchao, Saad A. Khairallah, Alexander M. Rubenchik, Michael F. Crumb, Gabe Guss, Jim Belak, and Manyalibo J. Matthews. 2019. “Energy Coupling Mechanisms and Scaling Behavior Associated with Laser Powder Bed Fusion Additive Manufacturing.” Advanced Engineering Materials 21 (7): 1900185. https://doi.org/10.1002/adem.201900185.

Tao, Dingwen, Sheng Di, Zizhong Chen, and Franck Cappello. 2017. “Significantly Improving Lossy Compression for Scientific Data Sets Based on Multidimensional Prediction and Error-Controlled Quantization.” 2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2017.115.

Diaz, Jose Monsalve, Kyle Friedline, Swaroop Pophale, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2019. “Analysis of OpenMP 4.5 Offloading in Implementations: Correctness and Overhead.” Parallel Computing 89 (November): 102546. https://doi.org/10.1016/j.parco.2019.102546.

Jocher, Agnes, Nick M. Vandewiele, Kehang Han, Mengjie Liu, Connie W. Gao, Ryan J. Gillis, and William H. Green. 2019. “Scalability Strategies for Automated Reaction Mechanism Generation.” Computers & Chemical Engineering 131 (December): 106578. https://doi.org/10.1016/j.compchemeng.2019.106578.

Hamilton, Steven P., Stuart R. Slattery, and Thomas M. Evans. 2018. “Multigroup Monte Carlo on GPUs: Comparison of History- and Event-Based Algorithms.” Annals of Nuclear Energy 113 (March): 506–18. https://doi.org/10.1016/j.anucene.2017.11.032.

Keçeli, Murat, Sarah N. Elliott, Yi-Pei Li, Matthew S. Johnson, Carlo Cavallotti, Yuri Georgievskii, William H. Green, et al. 2019. “Automated Computational Thermochemistry for Butane Oxidation: A Prelude to Predictive Automated Combustion Kinetics.” Proceedings of the Combustion Institute 37 (1): 363–71. https://doi.org/10.1016/j.proci.2018.07.113.

Shapoval, Olga, Jean-Luc Vay, and Henri Vincenti. 2019. “Two-Step Perfectly Matched Layer for Arbitrary-Order Pseudo-Spectral Analytical Time-Domain Methods.” Computer Physics Communications 235 (February): 102–10. https://doi.org/10.1016/j.cpc.2018.09.015.

Rodgers, Arthur J., N. Anders Petersson, Arben Pitarka, David B. McCallen, Bjorn Sjogreen, and Norman Abrahamson. 2019. “Broadband (0–5 Hz) Fully Deterministic 3D Ground‐Motion Simulations of a Magnitude 7.0 Hayward Fault Earthquake: Comparison with Empirical Ground‐Motion Models and 3D Path and Site Effects from Source Normalized Intensities.” Seismological Research Letters 90 (3): 1268–84. https://doi.org/10.1785/0220180261.

Liang, Xin, Sheng Di, Dingwen Tao, Zizhong Chen, and Franck Cappello. 2018. “An Efficient Transformation Scheme for Lossy Data Compression with Point-Wise Relative Error Bound.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00036.

Gok, Ali Murat, Sheng Di, Yuri Alexeev, Dingwen Tao, Vladimir Mironov, Xin Liang, and Franck Cappello. 2018. “PaSTRI: Error-Bounded Lossy Compression for Two-Electron Integrals in Quantum Chemistry.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00013.

Fang, Yuanwei, Chen Zou, and Andrew A. Chien. 2019. “Accelerating Raw Data Analysis with the ACCORDA Software and Hardware Architecture.” Proceedings of the VLDB Endowment 12 (11): 1568–82. https://doi.org/10.14778/3342263.3342634.

Di, Sheng, Dingwen Tao, Xin Liang, and Franck Cappello. 2019. “Efficient Lossy Compression for Scientific Data Based on Pointwise Relative Error Bound.” IEEE Transactions on Parallel and Distributed Systems 30 (2): 331–45. https://doi.org/10.1109/tpds.2018.2859932.

Di, Sheng, and Franck Cappello. 2018. “Optimization of Error-Bounded Lossy Compression for Hard-to-Compress HPC Data.” IEEE Transactions on Parallel and Distributed Systems 29 (1): 129–43. https://doi.org/10.1109/tpds.2017.2749300.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, Ananth Kalyanaraman, and Assefaw H. Gebremedhin. 2018. “MiniVite: A Graph Analytics Benchmarking Tool for Massively Parallel Systems.” 2018 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs.2018.8641631.

Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2018. “Fixed-PSNR Lossy Compression for Scientific Data.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00048.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, Ananth Kalyanaraman, Hao Lu, Daniel Chavarria-Miranda, Arif Khan, and Assefaw Gebremedhin. 2018. “Distributed Louvain Algorithm for Graph Community Detection.” 2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2018.00098.

Aaziz, Omar, Jeanine Cook, Jonathan Cook, and Courtenay Vaughan. 2018. “Exploring and Quantifying How Communication Behaviors in Proxies Relate to Real Applications.” 2018 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs.2018.8641569.

Aaziz, Omar, Jeanine Cook, Jonathan Cook, Tanner Juedeman, David Richards, and Courtenay Vaughan. 2018. “A Methodology for Characterizing the Correspondence Between Real and Proxy Applications.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00037.

Xie, Cong, Wei Xu, and Klaus Mueller. 2019. “A Visual Analytics Framework for the Detection of Anomalous Call Stack Trees in High Performance Computing Applications.” IEEE Transactions on Visualization and Computer Graphics 25 (1): 215–24. https://doi.org/10.1109/tvcg.2018.2865026.

Biondo, Elliott D., Thomas M. Evans, Gregory G. Davidson, and Steven P. Hamilton. 2020. “Singular Value Decomposition of Adjoint Flux Distributions for Monte Carlo Variance Reduction.” Annals of Nuclear Energy 141 (June): 107327. https://doi.org/10.1016/j.anucene.2020.107327.

Hamilton, Steven P., and Thomas M. Evans. 2019. “Continuous-Energy Monte Carlo Neutron Transport on GPUs in the Shift Code.” Annals of Nuclear Energy 128 (June): 236–47. https://doi.org/10.1016/j.anucene.2019.01.012.

Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2019. “Optimizing Lossy Compression Rate-Distortion from Automatic Online Selection between SZ and ZFP.” IEEE Transactions on Parallel and Distributed Systems 30 (8): 1857–71. https://doi.org/10.1109/tpds.2019.2894404.

Wilke, Jeremiah J., David S. Hollman, Cannada Lewis, Aram Markosyan, and Nicolas Morals. 2018. “Distributed Memory Futures for Compile-Time, Deterministic-by-Default Concurrency in Distributed C++ Applications.” 2018 IEEE/ACM 4th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), November. https://doi.org/10.1109/espm2.2018.00004.

Cavallotti, C., M. Pelucchi, Y. Georgievskii, and S. J. Klippenstein. 2018. “EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate Constants—A Code for Automatically Predicting the Thermal Kinetics of Reactions.” Journal of Chemical Theory and Computation 15 (2): 1122–45. https://doi.org/10.1021/acs.jctc.8b00701.

Clement, Marjory C., Jinmei Zhang, Cannada A. Lewis, Chao Yang, and Edward F. Valeev. 2018. “Optimized Pair Natural Orbitals for the Coupled Cluster Methods.” Journal of Chemical Theory and Computation 14 (9): 4581–89. https://doi.org/10.1021/acs.jctc.8b00294.

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Jasper, Ahren W., Lawrence B. Harding, Christopher Knight, and Yuri Georgievskii. 2019. “Anharmonic Rovibrational Partition Functions at High Temperatures: Tests of Reduced-Dimensional Models for Systems with up to Three Fluxional Modes.” The Journal of Physical Chemistry A 123 (29): 6210–28. https://doi.org/10.1021/acs.jpca.9b03592.

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Peng, Chong, Marjory C. Clement, and Edward F. Valeev. 2018. “State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-Cluster.” Journal of Chemical Theory and Computation 14 (11): 5597–5607. https://doi.org/10.1021/acs.jctc.8b00171.

Kallala, Haithem, Jean-Luc Vay, and Henri Vincenti. 2019. “A Generalized Massively Parallel Ultra-High Order FFT-Based Maxwell Solver.” Computer Physics Communications 244 (November): 25–34. https://doi.org/10.1016/j.cpc.2019.07.009.

Jasper, Ahren W., Zackery B. Gruey, Lawrence B. Harding, Yuri Georgievskii, Stephen J. Klippenstein, and Albert F. Wagner. 2018. “Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals.” The Journal of Physical Chemistry A 122 (6): 1727–40. https://doi.org/10.1021/acs.jpca.7b11722.

Van de Vijver, Ruben, and Judit Zádor. 2020. “KinBot: Automated Stationary Point Search on Potential Energy Surfaces.” Computer Physics Communications 248 (March): 106947. https://doi.org/10.1016/j.cpc.2019.106947.

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