Publications

Publication

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.

20212.3.3.01 xSDK

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.

20222.3.3.01 xSDK

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.

20222.3.3.01 xSDK

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.

20222.3.3.01 xSDK

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.

20222.3.3.01 xSDK

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.

20222.3.3.01 xSDK

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.

20232.3.3.01 xSDK

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.

20232.3.3.01 xSDK

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.

20222.3.3.12 SUNDIALS/Hypre

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.

20232.3.3.12 SUNDIALS/Hypre

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.

20212.3.3.12 SUNDIALS/Hypre

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20232.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.2.11 SOLLVE

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.

20222.3.4.13 ECP/VTK-m

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.

20212.3.3.01 xSDK

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.

20222.3.3.06 PETSc/TAO

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.

20192.2.6.07 ExaGraph

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.

20182.3.2.06 EXA-PAPI

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.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20232.3.2.10 PROTEAS-TUNE

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.

20222.2.6.06 CEED

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.

20232.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20222.3.4.15 ExaIO

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.

20232.3.4.16 ALPINE

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.

20232.3.1.08 Legion

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.

20222.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20222.3.3.07 STRUMPACK/SuperLU

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.

20212.2.2.04 MFIX-ExaDOE_SC_ASCR

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.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20222.2.4.03 CANDLEDOE_SC_ASCR

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.

20222.2.4.03 CANDLEDOE_SC_ASCR

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.

20222.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20192.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20232.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20202.2.4.02 ExaSGDDOE_SC_ASCR

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.

20202.2.4.02 ExaSGDDOE_SC_ASCR

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20212.2.4.02 ExaSGDDOE_SC_ASCR

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.

20202.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20222.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20192.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20222.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20222.3.1.08 Legion

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.

20202.3.1.08 Legion

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.

20212.2.6.07 ExaGraph

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.

20222.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20222.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20232.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20202.3.1.09 ParSEC

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.

20222.3.1.09 ParSEC

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.

20222.2.6.07 ExaGraph

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.

20222.2.6.07 ExaGraph

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.

20222.2.6.07 ExaGraph

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.

20232.2.6.07 ExaGraph

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.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20222.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20222.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20182.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20182.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20222.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20222.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

Nguyen-Cong, Kien, Jonathan T. Willman, Stan G. Moore, Anatoly B. Belonoshko, Rahulkumar Gayatri, Evan Weinberg, Mitchell A. Wood, Aidan P. Thompson, and Ivan I. Oleynik. 2021. “Billion Atom Molecular Dynamics Simulations of Carbon at Extreme Conditions and Experimental Time and Length Scales.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3487400.

20212.2.6.04 COPA

Li, Yicheng, Joseph Schuchart, and George Bosilca. 2022. “MARs: Memory Access Rearrangements in Open MPI.” 2022 IEEE/ACM Workshop on Latest Advances in Scalable Algorithms for Large-Scale Heterogeneous Systems (ScalAH), November. https://doi.org/10.1109/scalah56622.2022.00009.

20222.3.1.17 OMPI-X

Qiu, Yuxing, Samuel Temple Reeve, Minchen Li, Yin Yang, Stuart Ryan Slattery, and Chenfanfu Jiang. 2023. “A Sparse Distributed Gigascale Resolution Material Point Method.” ACM Transactions on Graphics 42 (2): 1–21. https://doi.org/10.1145/3570160.

20232.2.6.04 COPA

Sturdevant, Benjamin J., S. Ku, L. Chacón, Y. Chen, D. Hatch, M. D. J. Cole, A. Y. Sharma, et al. 2021. “Verification of a Fully Implicit Particle-in-Cell Method for the v ∥-Formalism of Electromagnetic Gyrokinetics in the XGC Code.” Physics of Plasmas 28 (7): 072505. https://doi.org/10.1063/5.0047842.

20212.2.6.04 COPA

Tangtartharakul, Kavin, Guangye Chen, and Alexey Arefiev. 2021. “Particle Integrator for Particle-in-Cell Simulations of Ultra-High Intensity Laser-Plasma Interactions.” Journal of Computational Physics 434 (June): 110233. https://doi.org/10.1016/j.jcp.2021.110233.

20212.2.6.04 COPA

Castain, Ralph H., David Solt, Joshua Hursey, and Aurelien Bouteiller. 2017. “PMIx.” Proceedings of the 24th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3127024.3127027.

20172.3.1.17 OMPI-X

Bouteiller, Aurelien, and George Bosilca. 2022. “Implicit Actions and Non-Blocking Failure Recovery with MPI.” 2022 IEEE/ACM 12th Workshop on Fault Tolerance for HPC at EXtreme Scale (FTXS), November. https://doi.org/10.1109/ftxs56515.2022.00009.

20222.3.1.17 OMPI-X

Zhong, Dong, Qinglei Cao, George Bosilca, and Jack Dongarra. 2020. “Using Advanced Vector Extensions AVX-512 for MPI Reductions.” 27th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3416315.3416316.

20202.3.1.17 OMPI-X

Peng, Ivy, Ian Karlin, Maya Gokhale, Kathleen Shoga, Matthew Legendre, and Todd Gamblin. 2021. “A Holistic View of Memory Utilization on HPC Systems: Current and Future Trends.” The International Symposium on Memory Systems, September. https://doi.org/10.1145/3488423.3519336.

20212.3.6.02 LLNL ATDM ST Projects

Li, Ruipeng, Björn Sjögreen, and Ulrike Meier Yang. 2021. “A New Class of AMG Interpolation Methods Based on Matrix-Matrix Multiplications.” SIAM Journal on Scientific Computing 43 (5): S540–64. https://doi.org/10.1137/20m134931x.

20212.3.3.12 SUNDIALS/Hypre

McInnes, Lois Curfman, Michael A. Heroux, Erik W. Draeger, Andrew Siegel, Susan Coghlan, and Katie Antypas. 2021. “How Community Software Ecosystems Can Unlock the Potential of Exascale Computing.” Nature Computational Science 1 (2): 92–94. https://doi.org/10.1038/s43588-021-00033-y.

20212.1 Project Management

Malakar, Preeti, Todd Munson, Christopher Knight, Venkatram Vishwanath, and Michael E. Papka. 2018. “Topology-Aware Space-Shared Co-Analysis of Large-Scale Molecular Dynamics Simulations.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00027.

20182.3.4.15 ExaIO

Choi, Jong Youl, Michael Churchill, Philip Davis, Sheng Di, Greg Eisenhauer, Stephane Ethier, Ian Foster, et al. 2018. “Coupling Exascale Multiphysics Applications: Methods and Lessons Learned.” 2018 IEEE 14th International Conference on E-Science (e-Science), October. https://doi.org/10.1109/escience.2018.00133.

20182.3.4.14 VeloC-SZ

Choi, Jong Youl, Michael Churchill, Philip Davis, Sheng Di, Greg Eisenhauer, Stephane Ethier, Ian Foster, et al. 2018. “Coupling Exascale Multiphysics Applications: Methods and Lessons Learned.” 2018 IEEE 14th International Conference on E-Science (e-Science), October. https://doi.org/10.1109/escience.2018.00133.

20182.2.6.03 CODAR

Choi, Jong Youl, Michael Churchill, Philip Davis, Sheng Di, Greg Eisenhauer, Stephane Ethier, Ian Foster, et al. 2018. “Coupling Exascale Multiphysics Applications: Methods and Lessons Learned.” 2018 IEEE 14th International Conference on E-Science (e-Science), October. https://doi.org/10.1109/escience.2018.00133.

20182.3.4.09 ADIOS

Choi, Jong Youl, Michael Churchill, Philip Davis, Sheng Di, Greg Eisenhauer, Stephane Ethier, Ian Foster, et al. 2018. “Coupling Exascale Multiphysics Applications: Methods and Lessons Learned.” 2018 IEEE 14th International Conference on E-Science (e-Science), October. https://doi.org/10.1109/escience.2018.00133.

20182.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Welch, Aaron, Oscar Hernandez, and Barbara Chapman. 2021. “Combining Static and Dynamic Analysis to Query Characteristics of HPC Applications.” 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), June. https://doi.org/10.1109/ipdpsw52791.2021.00071.

20212.3.1.16 SICM

Welch, Aaron, Oscar Hernandez, and Barbara Chapman. 2021. “Combining Static and Dynamic Analysis to Query Characteristics of HPC Applications.” 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), June. https://doi.org/10.1109/ipdpsw52791.2021.00071.

20212.3.2.11 SOLLVE

Ward, Logan, Ganesh Sivaraman, J. Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, et al. 2021. “Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing.” 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc54614.2021.00007.

20212.3.5.10 Exaworks

Ward, Logan, Ganesh Sivaraman, J. Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, et al. 2021. “Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing.” 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc54614.2021.00007.

20212.2.6.08 ExaLearn

Selvitopi, Oguz, Benjamin Brock, Israt Nisa, Alok Tripathy, Katherine Yelick, and Aydın Buluç. 2021. “Distributed-Memory Parallel Algorithms for Sparse Times Tall-Skinny-Dense Matrix Multiplication.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3447818.3461472.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

Selvitopi, Oguz, Benjamin Brock, Israt Nisa, Alok Tripathy, Katherine Yelick, and Aydın Buluç. 2021. “Distributed-Memory Parallel Algorithms for Sparse Times Tall-Skinny-Dense Matrix Multiplication.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3447818.3461472.

20212.2.6.07 ExaGraph

Evans, Noah, Jan Ciesko, Stephen L. Olivier, Howard Pritchard, Shintaro Iwasaki, Ken Raffenetti, and Pavan Balaji. 2020. “Implementing Flexible Threading Support in Open MPI.” 2020 Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi52011.2020.00008.

20202.3.1.17 OMPI-X

Evans, Noah, Jan Ciesko, Stephen L. Olivier, Howard Pritchard, Shintaro Iwasaki, Ken Raffenetti, and Pavan Balaji. 2020. “Implementing Flexible Threading Support in Open MPI.” 2020 Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi52011.2020.00008.

20202.3.2.11 SOLLVE

Popovici, Doru Thom, Martin D. Schatz, Franz Franchetti, and Tze Meng Low. 2020. “A Flexible Framework for Multidimensional DFTs.” SIAM Journal on Scientific Computing 42 (5): C245–64. https://doi.org/10.1137/19m1288401.

20202.2.6.04 COPA

Denoyelle, Nicolas, John Tramm, Kazutomo Yoshii, Swann Perarnau, and Pete Beckman. 2021. “NUMA-AWARE DATA MANAGEMENT FOR NEUTRON CROSS SECTION DATA IN CONTINUOUS ENERGY MONTE CARLO NEUTRON TRANSPORT SIMULATION.” Edited by M. Margulis and P. Blaise. EPJ Web of Conferences 247: 04020. https://doi.org/10.1051/epjconf/202124704020.

20212.3.1.19 Argo

Grosset, Pascal, Christopher M. Biwer, Jesus Pulido, Arvind T. Mohan, Ayan Biswas, John Patchett, Terece L. Turton, David H. Rogers, Daniel Livescu, and James Ahrens. 2020. “Foresight: Analysis That Matters for Data Reduction.” SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc41405.2020.00087.

20202.3.4.16 ALPINE

Usher, Will, and Valerio Pascucci. 2020. “Interactive Visualization of Terascale Data in the Browser: Fact or Fiction?” 2020 IEEE 10th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav51489.2020.00010.

20202.3.4.16 ALPINE

Ibrahim, Seif, Cyrus Harrison, and Matthew Larsen. 2020. “JIT’s Complicated: A Comprehensive System For Derived Field Generation.” ISAV’20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3426462.3426467.

20202.3.4.16 ALPINE

Stoyanov, Miroslav. 2018. “Adaptive Sparse Grid Construction in a Context of Local Anisotropy and Multiple Hierarchical Parents.” Sparse Grids and Applications - Miami 2016, 175–99. https://doi.org/10.1007/978-3-319-75426-0_8.

20182.3.3.14 ALExa

Johnson, Seth R., Andrey Prokopenko, and Katherine J. Evans. 2020. “Automated Fortran–C++ Bindings for Large-Scale Scientific Applications.” Computing in Science & Engineering 22 (5): 84–94. https://doi.org/10.1109/mcse.2019.2924204.

20202.3.3.14 ALExa

Tao, Dingwen, Sheng Di, Zizhong Chen, and Franck Cappello. 2017. “In-Depth Exploration of Single-Snapshot Lossy Compression Techniques for N-Body Simulations.” 2017 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata.2017.8257962.

20172.3.4.14 VeloC-SZ

Zou, Xiangyu, Tao Lu, Wen Xia, Xuan Wang, Weizhe Zhang, Sheng Di, Dingwen Tao, and Franck Cappello. 2019. “Accelerating Relative-Error Bounded Lossy Compression for HPC Datasets with Precomputation-Based Mechanisms.” 2019 35th Symposium on Mass Storage Systems and Technologies (MSST), May. https://doi.org/10.1109/msst.2019.00-15.

20192.3.4.14 VeloC-SZ

Reza, Tasmia, Jon Calhoun, Kristopher Keipert, Sheng Di, and Franck Cappello. 2019. “Analyzing the Performance and Accuracy of Lossy Checkpointing on Sub-Iteration of NWChem.” 2019 IEEE/ACM 5th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-5), November. https://doi.org/10.1109/drbsd-549595.2019.00009.

20192.3.4.14 VeloC-SZ

Wu, Xin-Chuan, Sheng Di, Emma Maitreyee Dasgupta, Franck Cappello, Hal Finkel, Yuri Alexeev, and Frederic T. Chong. 2019. “Full-State Quantum Circuit Simulation by Using Data Compression.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356155.

20192.3.4.14 VeloC-SZ

Liang, Xin, Sheng Di, Dingwen Tao, Sihuan Li, Bogdan Nicolae, Zizhong Chen, and Franck Cappello. 2019. “Improving Performance of Data Dumping with Lossy Compression for Scientific Simulation.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891037.

20192.3.4.14 VeloC-SZ

Liang, Xin, Sheng Di, Dingwen Tao, Sihuan Li, Shaomeng Li, Hanqi Guo, Zizhong Chen, and Franck Cappello. 2018. “Error-Controlled Lossy Compression Optimized for High Compression Ratios of Scientific Datasets.” 2018 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata.2018.8622520.

20182.3.4.14 VeloC-SZ

Liang, Xin, Sheng Di, Sihuan Li, Dingwen Tao, Bogdan Nicolae, Zizhong Chen, and Franck Cappello. 2019. “Significantly Improving Lossy Compression Quality Based on an Optimized Hybrid Prediction Model.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356193.

20192.3.4.14 VeloC-SZ

Li, Sihuan, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2018. “Optimizing Lossy Compression with Adjacent Snapshots for N-Body Simulation Data.” 2018 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata.2018.8622101.

20182.3.4.14 VeloC-SZ

Li, Sihuan, Sheng Di, Kai Zhao, Xin Liang, Zizhong Chen, and Franck Cappello. 2020. “Towards End-to-End SDC Detection for HPC Applications Equipped with Lossy Compression.” 2020 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster49012.2020.00043.

20202.3.4.14 VeloC-SZ

Tian, Jiannan, Sheng Di, Kai Zhao, Cody Rivera, Megan Hickman Fulp, Robert Underwood, Sian Jin, et al. 2020. “CuSZ.” Proceedings of the ACM International Conference on Parallel Architectures and Compilation Techniques, September. https://doi.org/10.1145/3410463.3414624.

20202.3.4.14 VeloC-SZ

Tian, Jiannan, Sheng Di, Chengming Zhang, Xin Liang, Sian Jin, Dazhao Cheng, Dingwen Tao, and Franck Cappello. 2020. “WaveSZ.” Proceedings of the 25th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3332466.3374525.

20202.3.4.14 VeloC-SZ

Tian, Jiannan, Cody Rivera, Sheng Di, Jieyang Chen, Xin Liang, Dingwen Tao, and Franck Cappello. 2021. “Revisiting Huffman Coding: Toward Extreme Performance on Modern GPU Architectures.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00097.

20212.3.4.14 VeloC-SZ

Zhao, Kai, Sheng Di, Maxim Dmitriev, Thierry-Laurent D. Tonellot, Zizhong Chen, and Franck Cappello. 2021. “Optimizing Error-Bounded Lossy Compression for Scientific Data by Dynamic Spline Interpolation.” 2021 IEEE 37th International Conference on Data Engineering (ICDE), April. https://doi.org/10.1109/icde51399.2021.00145.

20212.3.4.14 VeloC-SZ

Yu, Xiaodong, Sheng Di, Ali Murat Gok, Dingwen Tao, and Franck Cappello. 2021. “CuZ-Checker: A GPU-Based Ultra-Fast Assessment System for Lossy Compressions.” 2021 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster48925.2021.00065.

20212.3.4.14 VeloC-SZ

Tian, Jiannan, Sheng Di, Xiaodong Yu, Cody Rivera, Kai Zhao, Sian Jin, Yunhe Feng, Xin Liang, Dingwen Tao, and Franck Cappello. 2021. “Optimizing Error-Bounded Lossy Compression for Scientific Data on GPUs.” 2021 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster48925.2021.00047.

20212.3.4.14 VeloC-SZ

Iwasaki, Shintaro, Abdelhalim Amer, Kenjiro Taura, and Pavan Balaji. 2018. “Lessons Learned from Analyzing Dynamic Promotion for User-Level Threading.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00026.

20182.3.2.11 SOLLVE

Doerfert, Johannes, Brian Homerding, and Hal Finkel. 2019. “Performance Exploration Through Optimistic Static Program Annotations.” High Performance Computing, 247–68. https://doi.org/10.1007/978-3-030-20656-7_13.

20192.3.2.11 SOLLVE

Yu, Lechen, Joachim Protze, Oscar Hernandez, and Vivek Sarkar. 2020. “A Study of Memory Anomalies in OpenMP Applications.” Lecture Notes in Computer Science, 328–42. https://doi.org/10.1007/978-3-030-58144-2_21.

20202.3.2.11 SOLLVE

Mishra, Alok, Abid M. Malik, and Barbara Chapman. 2020. “Data Transfer and Reuse Analysis Tool for GPU-Offloading Using OpenMP.” Lecture Notes in Computer Science, 280–94. https://doi.org/10.1007/978-3-030-58144-2_18.

20202.3.2.11 SOLLVE

Kale, Vivek, Wenbin Lu, Anthony Curtis, Abid M. Malik, Barbara Chapman, and Oscar Hernandez. 2020. “Toward Supporting Multi-GPU Targets via Taskloop and User-Defined Schedules.” Lecture Notes in Computer Science, 295–309. https://doi.org/10.1007/978-3-030-58144-2_19.

20202.3.2.11 SOLLVE

Georgakoudis, Giorgis, Johannes Doerfert, Ignacio Laguna, and Thomas R. W. Scogland. 2020. “FAROS: A Framework to Analyze OpenMP Compilation Through Benchmarking and Compiler Optimization Analysis.” Lecture Notes in Computer Science, 3–17. https://doi.org/10.1007/978-3-030-58144-2_1.

20202.3.2.11 SOLLVE

Yu, Lechen, Joachim Protze, Oscar Hernandez, and Vivek Sarkar. 2021. “ARBALEST: Dynamic Detection of Data Mapping Issues in Heterogeneous OpenMP Applications.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00055.

20212.3.2.11 SOLLVE

Tian, Shilei, Jon Chesterfield, Johannes Doerfert, and Barbara Chapman. 2021. “Experience Report: Writing a Portable GPU Runtime with OpenMP 5.1.” Lecture Notes in Computer Science, 159–69. https://doi.org/10.1007/978-3-030-85262-7_11.

20212.3.2.11 SOLLVE

Patel, Atmn, Shilei Tian, Johannes Doerfert, and Barbara Chapman. 2021. “A Virtual GPU as Developer-Friendly OpenMP Offload Target.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473356.

20212.3.2.11 SOLLVE

Luo, Xi, Wei Wu, George Bosilca, Yu Pei, Qinglei Cao, Thananon Patinyasakdikul, Dong Zhong, and Jack Dongarra. 2020. “HAN: A Hierarchical AutotuNed Collective Communication Framework.” 2020 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster49012.2020.00013.

20202.3.1.17 OMPI-X

Guo, Luanzheng, Giorgis Georgakoudis, Konstantinos Parasyris, Ignacio Laguna, and Dong Li. 2020. “MATCH: An MPI Fault Tolerance Benchmark Suite.” 2020 IEEE International Symposium on Workload Characterization (IISWC), October. https://doi.org/10.1109/iiswc50251.2020.00015.

20202.3.1.17 OMPI-X

Beltre, Angel M., Pankaj Saha, Madhusudhan Govindaraju, Andrew Younge, and Ryan E. Grant. 2019. “Enabling HPC Workloads on Cloud Infrastructure Using Kubernetes Container Orchestration Mechanisms.” 2019 IEEE/ACM International Workshop on Containers and New Orchestration Paradigms for Isolated Environments in HPC (CANOPIE-HPC), November. https://doi.org/10.1109/canopie-hpc49598.2019.00007.

20192.3.6 NNSA ST

Raybourn, Elaine M., J. David Moulton, and Aimee Hungerford. 2019. “Scaling Productivity and Innovation on the Path to Exascale with a ‘Team of Teams’ Approach.” Lecture Notes in Computer Science, 408–21. https://doi.org/10.1007/978-3-030-22338-0_33.

20192.4.6 Training and Productivity

Dubey, Anshu, Jared O’Neal, Klaus Weide, and Saurabh Chawdhary. 2020. “Distillation of Best Practices from Refactoring FLASH for Exascale.” SN Computer Science 1 (4). https://doi.org/10.1007/s42979-020-0077-x.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Katz, Daniel S., Lois Curfman McInnes, David E. Bernholdt, Abigail Cabunoc Mayes, Neil P. Chue Hong, Jonah Duckles, Sandra Gesing, et al. 2019. “Community Organizations: Changing the Culture in Which Research Software Is Developed and Sustained.” Computing in Science & Engineering 21 (2): 8–24. https://doi.org/10.1109/mcse.2018.2883051.

20192.4.6 Training and Productivity

Marques, Osni, and Ashley Barker. 2020. “Training Efforts in the Exascale Computing Project.” Computing in Science & Engineering 22 (5): 103–7. https://doi.org/10.1109/mcse.2020.3010596.

20202.4.6 Training and Productivity

Jagode, Heike, Anthony Danalis, Hartwig Anzt, and Jack Dongarra. 2019. “PAPI Software-Defined Events for in-Depth Performance Analysis.” The International Journal of High Performance Computing Applications 33 (6): 1113–27. https://doi.org/10.1177/1094342019846287.

20192.3.2.06 EXA-PAPI

Bertoni, Colleen, JaeHyuk Kwack, Thomas Applencourt, Yasaman Ghadar, Brian Homerding, Christopher Knight, Brice Videau, Huihuo Zheng, Vitali Morozov, and Scott Parker. 2020. “Performance Portability Evaluation of OpenCL Benchmarks across Intel and NVIDIA Platforms.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00067.

20202.4.3 Application Integration at Facilities

Heroux, Michael A., Elsa Gonsiorowski, Rinku Gupta, Reed Milewicz, J. David Moulton, Gregory R. Watson, Jim Willenbring, Richard J. Zamora, and Elaine M. Raybourn. 2020. “Lightweight Software Process Improvement Using Productivity and Sustainability Improvement Planning (PSIP).” Tools and Techniques for High Performance Computing, 98–110. https://doi.org/10.1007/978-3-030-44728-1_6.

20202.4.6 Training and Productivity

Gutiérrez, Samuel K., Dorian C. Arnold, Kei Davis, and Patrick McCormick. 2019. “On the Memory Attribution Problem: A Solution and Case Study Using MPI.” Concurrency and Computation: Practice and Experience 32 (3). https://doi.org/10.1002/cpe.5159.

20192.3.6 NNSA ST

Wang, Xinying, Lipeng Wan, Jieyang Chen, Qian Gong, Ben Whitney, Jinzhen Wang, Ana Gainaru, et al. 2021. “Unbalanced Parallel I/O: An Often-Neglected Side Effect of Lossy Scientific Data Compression.” 2021 7th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-7), November. https://doi.org/10.1109/drbsd754563.2021.00008.

20212.3.4.09 ADIOS

Pugmire, David, James Kress, Jieyang Chen, Hank Childs, Jong Choi, Dmitry Ganyushin, Berk Geveci, et al. 2020. “Visualization as a Service for Scientific Data.” Driving Scientific and Engineering Discoveries Through the Convergence of HPC, Big Data and AI, 157–74. https://doi.org/10.1007/978-3-030-63393-6_11.

20202.3.4 Data and Visualization

Parker, Jeffrey B., Lynda L. LoDestro, Daniel Told, Gabriele Merlo, Lee F. Ricketson, Alejandro Campos, Frank Jenko, and Jeffrey A.F. Hittinger. 2018. “Bringing Global Gyrokinetic Turbulence Simulations to the Transport Timescale Using a Multiscale Approach.” Nuclear Fusion 58 (5): 054004. https://doi.org/10.1088/1741-4326/aab5c8.

20182.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Dominski, Julien, Seung-Hoe Ku, and Choong-Seock Chang. 2018. “Gyroaveraging Operations Using Adaptive Matrix Operators.” Physics of Plasmas 25 (5): 052304. https://doi.org/10.1063/1.5026767.

20182.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Merlo, G., J. Dominski, A. Bhattacharjee, C. S. Chang, F. Jenko, S. Ku, E. Lanti, and S. Parker. 2018. “Cross-Verification of the Global Gyrokinetic Codes GENE and XGC.” Physics of Plasmas 25 (6): 062308. https://doi.org/10.1063/1.5036563.

20182.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Evans, Noah. 2018. “Verifying Qthreads: Is Model Checking Viable for User Level Tasking Runtimes?” 2018 IEEE/ACM 2nd International Workshop on Software Correctness for HPC Applications (Correctness), November. https://doi.org/10.1109/correctness.2018.00008.

20182.3.6.03 SNL ATDM ST Projects

Canon, Richard S., and Andrew Younge. 2019. “A Case for Portability and Reproducibility of HPC Containers.” 2019 IEEE/ACM International Workshop on Containers and New Orchestration Paradigms for Isolated Environments in HPC (CANOPIE-HPC), November. https://doi.org/10.1109/canopie-hpc49598.2019.00012.

20192.3.6.03 SNL ATDM ST Projects

Rowan, Michael E., Kevin N. Gott, Jack Deslippe, Axel Huebl, Maxence Thévenet, Remi Lehe, and Jean-Luc Vay. 2021. “In-Situ Assessment of Device-Side Compute Work for Dynamic Load Balancing in a GPU-Accelerated PIC Code.” Proceedings of the Platform for Advanced Scientific Computing Conference, July. https://doi.org/10.1145/3468267.3470614.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Park, Byung H., H M Abdul Aziz, April Morton, and Robert Stewart. 2018. “High Performance Data Driven Agent-Based Modeling Framework for Simulation of Commute Mode Choices in Metropolitan Area.” 2018 21st International Conference on Intelligent Transportation Systems (ITSC), November. https://doi.org/10.1109/itsc.2018.8569232.

20182.2.4.01 Urban

Deng, Hang, Sergi Molins, David Trebotich, Carl Steefel, and Donald DePaolo. 2018. “Pore-Scale Numerical Investigation of the Impacts of Surface Roughness: Upscaling of Reaction Rates in Rough Fractures.” Geochimica et Cosmochimica Acta 239 (October): 374–89. https://doi.org/10.1016/j.gca.2018.08.005.

20182.2.3.04 SubsurfaceDOE_SC_ASCR, DOE_SC_BES

Molins, Sergi, David Trebotich, Bhavna Arora, Carl I. Steefel, and Hang Deng. 2019. “Multi-Scale Model of Reactive Transport in Fractured Media: Diffusion Limitations on Rates.” Transport in Porous Media 128 (2): 701–21. https://doi.org/10.1007/s11242-019-01266-2.

20192.2.3.04 SubsurfaceDOE_SC_ASCR, DOE_SC_BES

Gorman, Christopher, Gustavo Chávez, Pieter Ghysels, Théo Mary, François-Henry Rouet, and Xiaoye Sherry Li. 2019. “Robust and Accurate Stopping Criteria for Adaptive Randomized Sampling in Matrix-Free Hierarchically Semiseparable Construction.” SIAM Journal on Scientific Computing 41 (5): S61–85. https://doi.org/10.1137/18m1194961.

20192.3.3.07 STRUMPACK/SuperLU

Liu, Yang, Pieter Ghysels, Lisa Claus, and Xiaoye Sherry Li. 2021. “Sparse Approximate Multifrontal Factorization with Butterfly Compression for High-Frequency Wave Equations.” SIAM Journal on Scientific Computing 43 (5): S367–91. https://doi.org/10.1137/20m1349667.

20212.3.3.07 STRUMPACK/SuperLU

Patil, Onkar, Latchesar Ionkov, Jason Lee, Frank Mueller, and Michael Lang. 2019. “Performance Characterization of a DRAM-NVM Hybrid Memory Architecture for HPC Applications Using Intel Optane DC Persistent Memory Modules.” Proceedings of the International Symposium on Memory Systems, September. https://doi.org/10.1145/3357526.3357541.

20192.3.1.16 SICM

Mathuriya, Amrita, Ye Luo, Raymond C. Clay, Anouar Benali, Luke Shulenburger, and Jeongnim Kim. 2017. “Embracing a New Era of Highly Efficient and Productive Quantum Monte Carlo Simulations.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3126908.3126952.

20172.2.1.06 QMCPACKDOE_SC_ASCR, DOE_SC_BES

Kim, Jeongnim, Andrew D Baczewski, Todd D Beaudet, Anouar Benali, M Chandler Bennett, Mark A Berrill, Nick S Blunt, et al. 2018. “QMCPACK: An Open SourceAb InitioQuantum Monte Carlo Package for the Electronic Structure of Atoms, Molecules and Solids.” Journal of Physics: Condensed Matter 30 (19): 195901. https://doi.org/10.1088/1361-648x/aab9c3.

20182.2.1.06 QMCPACKDOE_SC_ASCR, DOE_SC_BES

Archibald, R., J. T. Krogel, and P. R. C. Kent. 2018. “Gaussian Process Based Optimization of Molecular Geometries Using Statistically Sampled Energy Surfaces from Quantum Monte Carlo.” The Journal of Chemical Physics 149 (16): 164116. https://doi.org/10.1063/1.5040584.

20182.2.1.06 QMCPACKDOE_SC_ASCR, DOE_SC_BES

Choi, Jaemin, David F. Richards, Laxmikant V. Kale, and Abhinav Bhatele. 2020. “End-to-End Performance Modeling of Distributed GPU Applications.” Proceedings of the 34th ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3392717.3392737.

20202.2.6.01 Proxy Apps

Choi, Jaemin, David F. Richards, and Laxmikant V. Kale. 2020. “Achieving Computation-Communication Overlap with Overdecomposition on GPU Systems.” 2020 IEEE/ACM Fifth International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), November. https://doi.org/10.1109/espm251964.2020.00006.

20202.2.6.01 Proxy Apps

Kim, Jungwon, Seyong Lee, and Jeffrey S. Vetter. 2017. “PapyrusKV.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3126908.3126943.

20172.3.2.10 PROTEAS-TUNE

Wolfe, Michael, Seyong Lee, Jungwon Kim, Xiaonan Tian, Rengan Xu, Barbara Chapman, and Sunita Chandrasekaran. 2018. “The OpenACC Data Model: Preliminary Study on Its Major Challenges and Implementations.” Parallel Computing 78 (October): 15–27. https://doi.org/10.1016/j.parco.2018.07.003.

20182.3.2.10 PROTEAS-TUNE

Belviranli, Mehmet E., Seyong Lee, Jeffrey S. Vetter, and Laxmi N. Bhuyan. 2018. “Juggler.” Proceedings of the 23rd ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3178487.3178492.

20182.3.2.10 PROTEAS-TUNE

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.

20182.3.2.10 PROTEAS-TUNE

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.

20192.3.2.10 PROTEAS-TUNE

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.

20182.3.2.10 PROTEAS-TUNE

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.

20192.3.2.10 PROTEAS-TUNE

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.

20182.3.2.10 PROTEAS-TUNE

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.

20192.3.2.10 PROTEAS-TUNE

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.

20192.3.2.10 PROTEAS-TUNE

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.

20202.3.2.10 PROTEAS-TUNE

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.

20202.3.2.10 PROTEAS-TUNE

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.

20202.3.2.10 PROTEAS-TUNE

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.

20202.3.2.10 PROTEAS-TUNE

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.

20172.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20172.3.1.09 ParSEC

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.

20192.3.1.14 UPC++ & GASNet

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.

20192.3.1.14 UPC++ & GASNet

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.

20192.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20182.3.1.07 Exascale MPI

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.

20182.3.1.07 Exascale MPI

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.

20182.3.1.07 Exascale MPI

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.

20212.3.1.07 Exascale MPI

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.

20182.3.1.08 Legion

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.

20182.3.1.08 Legion

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.

20212.3.1.08 Legion

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.

20182.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20192.3.2.08 HPCToolkit

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.

20202.3.2.08 HPCToolkit

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.

20192.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.2.01 ExaWindDOE_SC_ASCR

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.

20212.2.2.01 ExaWindDOE_SC_ASCR

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.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20192.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20192.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20172.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20182.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20182.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20212.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20212.2.4.02 ExaSGDDOE_SC_ASCR

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.

20212.2.6.08 ExaLearn

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.

20192.2.6.08 ExaLearn

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.

20202.2.6.08 ExaLearn

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.

20202.2.6.08 ExaLearn

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.

20212.2.6.07 ExaGraph

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.

20202.2.6.07 ExaGraph

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.

20202.2.6.07 ExaGraph

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.

20202.2.6.07 ExaGraph

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.

20172.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

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.

20182.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20192.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20182.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20182.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20182.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20192.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20192.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.3.03 EQSIMDOE_SC_ASCR

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.

20212.2.3.03 EQSIMDOE_SC_ASCR

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.

20202.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Hou, Kaiyuan, Reda Al-Bahrani, Esteban Rangel, Ankit Agrawal, Robert Latham, Robert Ross, Alok Choudhary, and Wei-keng Liao. 2018. “Integration of Burst Buffer in High-Level Parallel I/O Library for Exa-Scale Computing Era.” 2018 IEEE/ACM 3rd International Workshop on Parallel Data Storage & Data Intensive Scalable Computing Systems (PDSW-DISCS), November. https://doi.org/10.1109/pdsw-discs.2018.000-1.

20182.3.4.10 DataLib

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.

20202.3.4.10 DataLib

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.

20182.2.6.04 COPA

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.

20182.2.6.04 COPA

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.

20182.2.6.04 COPA

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.

20172.2.6.03 CODAR

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.

20172.2.6.03 CODAR

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.

20182.2.6.03 CODAR

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.

20182.2.6.03 CODAR

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.

20192.2.6.03 CODAR

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.

20192.2.6.03 CODAR

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.

20192.2.6.03 CODAR

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.

20192.2.6.03 CODAR

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.

20192.2.6.03 CODAR

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.

20202.2.6.03 CODAR

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.

20202.2.6.03 CODAR

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.

20202.2.6.03 CODAR

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.

20202.2.6.03 CODAR

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.

20202.2.6.03 CODAR

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.

20212.2.6.03 CODAR

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.

20172.3.3.13 CLOVER

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.

20172.3.3.13 CLOVER

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.

20172.3.3.13 CLOVER

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.

20172.3.3.13 CLOVER

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.

20172.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20182.3.3.13 CLOVER

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.

20192.3.3.13 CLOVER

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.

20192.3.3.13 CLOVER

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.

20202.3.3.13 CLOVER

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.

20202.2.6.06 CEED

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.

20212.2.6.06 CEED

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.

20182.2.4.03 CANDLEDOE_SC_ASCR

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.

20172.2.4.03 CANDLEDOE_SC_ASCR

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20182.2.4.03 CANDLEDOE_SC_ASCR

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.

20202.2.4.03 CANDLEDOE_SC_ASCR

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.

20212.2.4.03 CANDLEDOE_SC_ASCR

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.

20182.2.6.02 Application Assessment

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.

20202.2.6.05 AMREX

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.

20202.3.4.09 ADIOS

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.

20212.2.6.06 CEED

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.

20212.2.4.02 ExaSGDDOE_SC_ASCR

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.

20202.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20222.3.1.07 Exascale MPI

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.

20222.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20222.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20222.2.4.02 ExaSGDDOE_SC_ASCR

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.

20222.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20222.2.2.04 MFIX-ExaDOE_SC_ASCR

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.

20222.2.6.01 Proxy Apps

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.

20222.3.1.16 SICM

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.

20222.3.1.16 SICM

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.

20212.3.3.01 xSDK

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.

20212.3.4.14 VeloC-SZ

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.

20212.3.4.14 VeloC-SZ

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.

20212.3.4.14 VeloC-SZ

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.

20212.3.4.14 VeloC-SZ

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.

20212.3.4.09 ADIOS

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.

20212.3.4.14 VeloC-SZ

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.

20212.2.6.08 ExaLearn

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.

20212.3.6.02 LLNL ATDM ST Projects

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.

20212.4.3 Application Integration at Facilities

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.

20212.3.2.11 SOLLVE

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.

20212.3.4.14 VeloC-SZ

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.

20212.3.2.10 PROTEAS-TUNE

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.

20212.3.4.15 ExaIO

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.

20212.3.1.14 UPC++ & GASNet

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.

20212.3.2.11 SOLLVE

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20212.3.2.11 SOLLVE

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.

20212.3.2.11 SOLLVE

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.

20212.3.4.16 ALPINE

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.

20212.3.1.17 OMPI-X

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.

20212.3.4.16 ALPINE

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.

20212.3.1.09 ParSEC

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.

20212.4.3 Application Integration at Facilities

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

20212.2.6.03 CODAR

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

Giannakou, Anna, Johannes P. Blaschke, Deborah Bard, and Lavanya Ramakrishnan. 2021. “Experiences with Cross-Facility Real-Time Light Source Data Analysis Workflows.” 2021 IEEE/ACM HPC for Urgent Decision Making (UrgentHPC), November. https://doi.org/10.1109/urgenthpc54802.2021.00011.

20212.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

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.

20212.3.3.13 CLOVER

Gilbert, Michael S., Seher Acer, Erik G. Boman, Kamesh Madduri, and Sivasankaran Rajamanickam. 2021. “Performance-Portable Graph Coarsening for Efficient Multilevel Graph Analysis.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00030.

20212.2.6.07 ExaGraph

Ghosh, Sayan, Nathan R. Tallent, Marco Minutoli, Mahantesh Halappanavar, Ramesh Peri, and Ananth Kalyanaraman. 2021. “Single-Node Partitioned-Memory for Huge Graph Analytics.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476156.

20212.2.6.07 ExaGraph

Eberius, David, David Boehme, and Olga Pearce. 2021. “Did the GPU Obfuscate the Load Imbalance in My MPI Simulation?” 2021 IEEE/ACM International Workshop on Hierarchical Parallelism for Exascale Computing (HiPar), November. https://doi.org/10.1109/hipar54615.2021.00008.

20212.2.6.01 Proxy Apps

Doerfert, Johannes, Joseph Huber, and Melanie Cornelius. 2021. “Advancing OpenMP Offload Debugging Capabilities in LLVM.” 50th International Conference on Parallel Processing Workshop, August. https://doi.org/10.1145/3458744.3473358.

20212.3.2.11 SOLLVE

Di, Zichao, Esteban Rangel, Shinjae Yoo, and Stefan M. Wild. 2021. “Hierarchical Analysis of Halo Center in Cosmology.” Lecture Notes in Computer Science, 671–84. https://doi.org/10.1007/978-3-030-77961-0_53.

20212.2.6.03 CODAR

David, Chloe, Wenjun Ge, Somesh P. Roy, Michael F. Modest, and Ramanan Sankaran. 2021. “Comparison of Radiation Models for a Turbulent Piloted Methane/Air Jet Flame: A Frozen-Field Study.” ASME 2021 Heat Transfer Summer Conference, June. https://doi.org/10.1115/ht2021-62417.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Silva, Rafael Ferreira da, Henri Casanova, Kyle Chard, Ilkay Altintas, Rosa M Badia, Bartosz Balis, Taina Coleman, et al. 2021. “A Community Roadmap for Scientific Workflows Research and Development.” 2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS), November. https://doi.org/10.1109/works54523.2021.00016.

20212.3.5.10 Exaworks

Clement, Valentin, and Jeffrey S. Vetter. 2021. “Flacc: Towards OpenACC Support for Fortran in the LLVM Ecosystem.” 2021 IEEE/ACM 7th Workshop on the LLVM Compiler Infrastructure in HPC (LLVM-HPC), November. https://doi.org/10.1109/llvmhpc54804.2021.00007.

20212.3.2.10 PROTEAS-TUNE

Choi, Jong, Ruonan Wang, R. Michael Churchill, Ralph Kube, Minjun Choi, Jinseop Park, Jeremy Logan, et al. 2020. “Data Federation Challenges in Remote Near-Real-Time Fusion Experiment Data Processing.” Driving Scientific and Engineering Discoveries Through the Convergence of HPC, Big Data and AI, 285–99. https://doi.org/10.1007/978-3-030-63393-6_19.

20202.3.4.09 ADIOS

Choi, Jaemin, David F. Richards, and Laxmikant V. Kale. 2021. “CharminG.” Proceedings of the 30th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3431379.3464454.

20212.2.6.01 Proxy Apps

Choi, Jaemin, Zane Fink, Sam White, Nitin Bhat, David F. Richards, and Laxmikant V. Kale. 2021. “GPU-Aware Communication with UCX in Parallel Programming Models: Charm++, MPI, and Python.” 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), June. https://doi.org/10.1109/ipdpsw52791.2021.00079.

20212.2.6.01 Proxy Apps

Cho, Younghyun, James W. Demmel, Xiaoye S. Li, Yang Liu, and Hengrui Luo. 2021. “Enhancing Autotuning Capability with a History Database.” 2021 IEEE 14th International Symposium on Embedded Multicore/Many-Core Systems-on-Chip (MCSoC), December. https://doi.org/10.1109/mcsoc51149.2021.00044.

20212.3.3.01 xSDK

Cherian, Aaron Thomas, Keren Zhou, Dejan Grubisic, Xiaozhu Meng, and John Mellor-Crummey. 2021. “Measurement and Analysis of GPU-Accelerated OpenCL Computations on Intel GPUs.” 2021 IEEE/ACM International Workshop on Programming and Performance Visualization Tools (ProTools), November. https://doi.org/10.1109/protools54808.2021.00009.

20212.3.2.08 HPCToolkit

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.

20212.2.4.03 CANDLEDOE_SC_ASCR

Cerf, Sophie, Raphaël Bleuse, Valentin Reis, Swann Perarnau, and Éric Rutten. 2021. “Sustaining Performance While Reducing Energy Consumption: A Control Theory Approach.” Lecture Notes in Computer Science, 334–49. https://doi.org/10.1007/978-3-030-85665-6_21.

20212.3.1.19 Argo

Cappello, Franck, Sheng Di, and Ali Murat Gok. 2020. “Fulfilling the Promises of Lossy Compression for Scientific Applications.” Driving Scientific and Engineering Discoveries Through the Convergence of HPC, Big Data and AI, 99–116. https://doi.org/10.1007/978-3-030-63393-6_7.

20202.3.4.14 VeloC-SZ

Cao, Qinglei, Yu Pei, Kadir Akbudak, George Bosilca, Hatem Ltaief, David Keyes, and Jack Dongarra. 2021. “Leveraging PaRSEC Runtime Support to Tackle Challenging 3D Data-Sparse Matrix Problems.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00017.

20212.3.1.09 ParSEC

Brunhart-Lupo, Nicholas, Shashank Yellapantula, Kenny Gruchalla, and Ray Grout. 2021. “Visualization of Jet Impingement and Ignition in a Piston-Cylinder Chamber.” Proceedings of the Twelfth ACM International Conference on Future Energy Systems, June. https://doi.org/10.1145/3447555.3466595.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Brace, Alexander, Michael Salim, Vishal Subbiah, Heng Ma, Murali Emani, Anda Trifa, Austin R. Clyde, et al. 2021. “Stream-AI-MD.” Proceedings of the Platform for Advanced Scientific Computing Conference, July. https://doi.org/10.1145/3468267.3470578.

20212.2.4.03 CANDLEDOE_SC_ASCR

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.

20212.3.1.09 ParSEC

Barca, Giuseppe M. J., Jorge L. Galvez Vallejo, David L. Poole, Melisa Alkan, Ryan Stocks, Alistair P. Rendell, and Mark S. Gordon. 2021. “Enabling Large-Scale Correlated Electronic Structure Calculations.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476222.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Bak, Seonmyeong, Oscar Hernandez, Mark Gates, Piotr Luszczek, and Vivek Sarkar. 2021. “Task-Graph Scheduling Extensions for Efficient Synchronization and Communication.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3447818.3461616.

20212.3.3.13 CLOVER

Ayala, Alan, Stan Tomov, Miroslav Stoyanov, Azzam Haidar, and Jack Dongarra. 2021. “Accelerating Multi - Process Communication for Parallel 3-D FFT.” 2021 Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi54564.2021.00011.

20212.3.3.13 CLOVER

Ayala, Alan, Stanimire Tomov, Miroslav Stoyanov, and Jack Dongarra. 2021. “Scalability Issues in FFT Computation.” Parallel Computing Technologies, 279–87. https://doi.org/10.1007/978-3-030-86359-3_21.

20212.3.3.13 CLOVER

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.

20212.3.4.16 ALPINE

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.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

Al-Saadi, Aymen, Dong H. Ahn, Yadu Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, et al. 2021. “ExaWorks: Workflows for Exascale.” 2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS), November. https://doi.org/10.1109/works54523.2021.00012.

20212.3.5.10 Exaworks

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.

20212.3.3.13 CLOVER

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.

20212.2.4.02 ExaSGDDOE_SC_ASCR

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.

20212.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Negre, Christian F. A., Anders M. N. Niklasson, and Antonio Redondo. 2021. “Quantum-Based Molecular Dynamics Simulations with Applications to Industrial Problems.” Springer Series in Materials Science, 289–314. https://doi.org/10.1007/978-3-030-18778-1_15.

20212.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Shen, Ken J., Samuel J. Boos, Dean M. Townsley, and Daniel Kasen. 2021. “Multidimensional Radiative Transfer Calculations of Double Detonations of Sub-Chandrasekhar-Mass White Dwarfs.” The Astrophysical Journal 922 (1): 68. https://doi.org/10.3847/1538-4357/ac2304.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20212.2.6.08 ExaLearn

Hodge, N.E. 2021. “Towards Improved Speed and Accuracy of Laser Powder Bed Fusion Simulations via Representation of Multiple Time Scales.” Additive Manufacturing 37 (January): 101600. https://doi.org/10.1016/j.addma.2020.101600.

20212.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Flegar, Goran, Hartwig Anzt, Terry Cojean, and Enrique S. Quintana-Ortí. 2021. “Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software.” ACM Transactions on Mathematical Software 47 (2): 1–28. https://doi.org/10.1145/3441850.

20212.3.3.13 CLOVER

Bhati, Agastya P., Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, et al. 2021. “Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-Based Simulations on High-Performance Computers.” Interface Focus 11 (6). https://doi.org/10.1098/rsfs.2021.0018.

20212.2.4.03 CANDLEDOE_SC_ASCR

Zhang, Lu, Siyang Wang, and N. Anders Petersson. 2021. “Elastic Wave Propagation in Curvilinear Coordinates with Mesh Refinement Interfaces by a Fourth Order Finite Difference Method.” SIAM Journal on Scientific Computing 43 (2): A1472–96. https://doi.org/10.1137/20m1339702.

20212.2.3.03 EQSIMDOE_SC_ASCR

Westheimer, Bryce M., and Mark S. Gordon. 2021. “Scalable Ab Initio Fragmentation Methods Based on a Truncated Expansion of the Non-Orthogonal Molecular Orbital Model.” The Journal of Chemical Physics 155 (15): 154101. https://doi.org/10.1063/5.0064864.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Sitaraman, Hariswaran, Nicholas Brunhart-Lupo, Marc Henry de Frahan, Shashank Yellapantula, Bruce Perry, Jon Rood, Ray Grout, Marc Day, Roba Binyahib, and Kenny Gruchalla. 2021. “Visualizations of Direct Fuel Injection Effects in a Supersonic Cavity Flameholder.” Physical Review Fluids 6 (11). https://doi.org/10.1103/physrevfluids.6.110504.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Ross, Hannah E, Sambit K Giri, Garrelt Mellema, Keri L Dixon, Raghunath Ghara, and Ilian T Iliev. 2021. “Redshift-Space Distortions in Simulations of the 21-Cm Signal from the Cosmic Dawn.” Monthly Notices of the Royal Astronomical Society 506 (3): 3717–33. https://doi.org/10.1093/mnras/stab1822.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Ridley, Gavin, and Benoit Forget. 2021. “A Simple Method for Rejection Sampling Efficiency Improvement on SIMT Architectures.” Statistics and Computing 31 (3). https://doi.org/10.1007/s11222-021-10003-z.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Rasmussen, Elizabeth, Shashank Yellapantula, and Michael James Martin. 2021. “How Equation of State Selection Impacts Accuracy near the Critical Point: Forced Convection Supercritical CO2 Flow over a Cylinder.” The Journal of Supercritical Fluids 171 (May): 105141. https://doi.org/10.1016/j.supflu.2020.105141.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Ozik, Jonathan, Justin M Wozniak, Nicholson Collier, Charles M Macal, and Mickaël Binois. 2021. “A Population Data-Driven Workflow for COVID-19 Modeling and Learning.” The International Journal of High Performance Computing Applications 35 (5): 483–99. https://doi.org/10.1177/10943420211035164.

20212.2.4.03 CANDLEDOE_SC_ASCR

Neches, Russell Y., Nikos C. Kyrpides, and Christos A. Ouzounis. 2021. “Atypical Divergence of SARS-CoV-2 Orf8 from Orf7a within the Coronavirus Lineage Suggests Potential Stealthy Viral Strategies in Immune Evasion.” Edited by Diane E. Griffin. MBio 12 (1). https://doi.org/10.1128/mbio.03014-20.

20212.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

Moberg, Daniel R., and Ahren W. Jasper. 2021. “Permutationally Invariant Polynomial Expansions with Unrestricted Complexity.” Journal of Chemical Theory and Computation 17 (9): 5440–55. https://doi.org/10.1021/acs.jctc.1c00352.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Merzari, Elia, Haomin Yuan, Misun Min, Dillon Shaver, Ronald Rahaman, Patrick Shriwise, Paul Romano, et al. 2021. “Cardinal: A Lower-Length-Scale Multiphysics Simulator for Pebble-Bed Reactors.” Nuclear Technology 207 (7): 1118–41. https://doi.org/10.1080/00295450.2020.1824471.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Merzari, Elia, Haomin Yuan, Misun Min, Dillon Shaver, Ronald Rahaman, Patrick Shriwise, Paul Romano, et al. 2021. “Cardinal: A Lower-Length-Scale Multiphysics Simulator for Pebble-Bed Reactors.” Nuclear Technology 207 (7): 1118–41. https://doi.org/10.1080/00295450.2020.1824471.

20212.2.6.06 CEED

McDonald, Torin, Will Usher, Nate Morrical, Attila Gyulassy, Steve Petruzza, Frederick Federer, Alessandra Angelucci, and Valerio Pascucci. 2021. “Improving the Usability of Virtual Reality Neuron Tracing with Topological Elements.” IEEE Transactions on Visualization and Computer Graphics 27 (2): 744–54. https://doi.org/10.1109/tvcg.2020.3030363.

20212.3.4.16 ALPINE

Liu, Mengjie, Alon Grinberg Dana, Matthew S. Johnson, Mark J. Goldman, Agnes Jocher, A. Mark Payne, Colin A. Grambow, et al. 2021. “Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.” Journal of Chemical Information and Modeling 61 (6): 2686–96. https://doi.org/10.1021/acs.jcim.0c01480.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Johnson, Christopher T., and Jozef J. Dudek. 2021. “Excited J Meson Resonances at the SU(3) Flavor Point from Lattice QCD.” Physical Review D 103 (7)">http://Www.W3.Org/1998/Math/MathML" Display="inline">J Meson Resonances at the SU(3) Flavor Point from Lattice QCD.” Physical Review D 103 (7). https://doi.org/10.1103/physrevd.103.074502.

20212.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20212.2.4.03 CANDLEDOE_SC_ASCR

Dubey, Anshu, Lois Curfman McInnes, Rajeev Thakur, Erik W. Draeger, Thomas Evans, Timothy C. Germann, and William E. Hart. 2021. “Performance Portability in the Exascale Computing Project: Exploration Through a Panel Series.” Computing in Science & Engineering 23 (5): 46–54. https://doi.org/10.1109/mcse.2021.3098231.

20212.4.6 Training and Productivity

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.

20212.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Blanchard, Andrew E., Christopher Stanley, and Debsindhu Bhowmik. 2021. “Using GANs with Adaptive Training Data to Search for New Molecules.” Journal of Cheminformatics 13 (1). https://doi.org/10.1186/s13321-021-00494-3.

20212.2.4.03 CANDLEDOE_SC_ASCR

Austin, Anthony P., Noel Chalmers, and Tim Warburton. 2021. “Initial Guesses for Sequences of Linear Systems in a GPU-Accelerated Incompressible Flow Solver.” SIAM Journal on Scientific Computing 43 (4): C259–89. https://doi.org/10.1137/20m1368677.

20212.2.6.06 CEED

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.

20202.2.6.07 ExaGraph

Acer, Seher, Erik G. Boman, Christian A. Glusa, and Sivasankaran Rajamanickam. 2021. “Sphynx: A Parallel Multi-GPU Graph Partitioner for Distributed-Memory Systems.” Parallel Computing 106 (September): 102769. https://doi.org/10.1016/j.parco.2021.102769.

20212.2.6.07 ExaGraph

Zhou, Keren, Jonathon Anderson, Xiaozhu Meng, and John Mellor-Crummey. 2022. “Low Overhead and Context Sensitive Profiling of GPU-Accelerated Applications.” Proceedings of the 36th ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3524059.3532388.

20222.3.2.08 HPCToolkit

Yu, Xiaodong, Sheng Di, Kai Zhao, Jiannan Tian, Dingwen Tao, Xin Liang, and Franck Cappello. 2022. “Ultrafast Error-Bounded Lossy Compression for Scientific Datasets.” Proceedings of the 31st International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3502181.3531473.

20222.3.4.14 VeloC-SZ

Wang, Daoce, Jesus Pulido, Pascal Grosset, Sian Jin, Jiannan Tian, James Ahrens, and Dingwen Tao. 2022. “TAC.” Proceedings of the 31st International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3502181.3531458.

20222.3.4.16 ALPINE

Tian, Shilei, Johannes Doerfert, and Barbara Chapman. 2022. “Concurrent Execution of Deferred OpenMP Target Tasks with Hidden Helper Threads.” Lecture Notes in Computer Science, 41–56. https://doi.org/10.1007/978-3-030-95953-1_4.

20222.3.2.11 SOLLVE

Raybourn, Elaine M. 2022. “Strategies for Working Remotely: Responding to Pandemic-Driven Change with Cross-Organizational Community Dialog.” Lecture Notes in Computer Science, 407–16. https://doi.org/10.1007/978-3-031-05544-7_30.

20222.4.6 Training and Productivity

Patel, Atmn, and Johannes Doerfert. 2022. “Remote OpenMP Offloading.” High Performance Computing, 315–33. https://doi.org/10.1007/978-3-031-07312-0_16.

20222.3.2.11 SOLLVE

O’Neal, Jared, Mohamed Wahib, Anshu Dubey, Klaus Weide, Tom Klosterman, and Johann Rudi. 2022. “Domain-Specific Runtime to Orchestrate Computation on Heterogeneous Platforms.” Lecture Notes in Computer Science, 154–65. https://doi.org/10.1007/978-3-031-06156-1_13.

20222.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20222.3.2.11 SOLLVE

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.

20222.3.4.09 ADIOS

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.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

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.

20222.3.1.19 Argo

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.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

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.

20222.3.4.15 ExaIO

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.

20222.3.2.08 HPCToolkit

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.

20212.3.3.01 xSDK

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.

20222.3.4.16 ALPINE

Rogers, David H., Soumya Dutta, Divya Banesh, Terece L. Turton, Ethan Stam, and James Ahrens. 2022. “In Situ Solutions with CinemaScience.” In Situ Visualization for Computational Science, 307–28. https://doi.org/10.1007/978-3-030-81627-8_14.

20222.3.6 NNSA ST

Pugmire, David, Norbert Podhorszki, Scott Klasky, Matthew Wolf, James Kress, Mark Kim, Nicholas Thompson, et al. 2022. “The Adaptable IO System (ADIOS).” In Situ Visualization for Computational Science, 233–54. https://doi.org/10.1007/978-3-030-81627-8_11.

20222.3.4.09 ADIOS

Moreland, Kenneth, Andrew C. Bauer, Berk Geveci, Patrick O’Leary, and Brad Whitlock. 2022. “Leveraging Production Visualization Tools In Situ.” In Situ Visualization for Computational Science, 205–31. https://doi.org/10.1007/978-3-030-81627-8_10.

20222.3.4.16 ALPINE

Childs, Hank, Janine C. Bennett, and Christoph Garth. 2022. “In Situ Visualization for Computational Science: Background and Foundational Topics.” In Situ Visualization for Computational Science, 1–8. https://doi.org/10.1007/978-3-030-81627-8_1.

20222.3.4 Data and Visualization

Larsen, Matthew, Eric Brugger, Hank Childs, and Cyrus Harrison. 2022. “Ascent: A Flyweight In Situ Library for Exascale Simulations.” In Situ Visualization for Computational Science, 255–79. https://doi.org/10.1007/978-3-030-81627-8_12.

20222.3.4.16 ALPINE

Biswas, Ayan, Soumya Dutta, Terece L. Turton, and James Ahrens. 2022. “Sampling for Scientific Data Analysis and Reduction.” In Situ Visualization for Computational Science, 11–36. https://doi.org/10.1007/978-3-030-81627-8_2.

20222.3.4 Data and Visualization

De Angeli, Kevin, Shang Gao, Ioana Danciu, Eric B. Durbin, Xiao-Cheng Wu, Antoinette Stroup, Jennifer Doherty, et al. 2022. “Class Imbalance in Out-of-Distribution Datasets: Improving the Robustness of the TextCNN for the Classification of Rare Cancer Types.” Journal of Biomedical Informatics 125 (January): 103957. https://doi.org/10.1016/j.jbi.2021.103957.

20222.2.4.03 CANDLEDOE_SC_ASCR

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.

20222.2.3.04 SubsurfaceDOE_SC_ASCR, DOE_SC_BES

Norman, Matthew R, David C Bader, Christopher Eldred, Walter M Hannah, Benjamin R Hillman, Christopher R Jones, Jungmin M Lee, et al. 2021. “Unprecedented Cloud Resolution in a GPU-Enabled Full-Physics Atmospheric Climate Simulation on OLCF’s Summit Supercomputer.” The International Journal of High Performance Computing Applications 36 (1): 93–105. https://doi.org/10.1177/10943420211027539.

20212.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Lin, Guangxing, Christopher R. Jones, L. Ruby Leung, Zhe Feng, and Mikhail Ovchinnikov. 2021. “Mesoscale Convective Systems in a Superparameterized E3SM Simulation at High Resolution.” Journal of Advances in Modeling Earth Systems 14 (1). https://doi.org/10.1029/2021ms002660.

20212.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Gulizzi, Vincenzo, Ann S. Almgren, and John B. Bell. 2022. “A Coupled Discontinuous Galerkin-Finite Volume Framework for Solving Gas Dynamics over Embedded Geometries.” Journal of Computational Physics 450 (February): 110861. https://doi.org/10.1016/j.jcp.2021.110861.

20222.2.6.05 AMREX

Buschmann, Malte, Joshua W. Foster, Anson Hook, Adam Peterson, Don E. Willcox, Weiqun Zhang, and Benjamin R. Safdi. 2022. “Dark Matter from Axion Strings with Adaptive Mesh Refinement.” Nature Communications 13 (1). https://doi.org/10.1038/s41467-022-28669-y.

20222.2.6.05 AMREX

Bak, Seonmyeong, Colleen Bertoni, Swen Boehm, Reuben Budiardja, Barbara M. Chapman, Johannes Doerfert, Markus Eisenbach, et al. 2022. “OpenMP Application Experiences: Porting to Accelerated Nodes.” Parallel Computing 109 (March): 102856. https://doi.org/10.1016/j.parco.2021.102856.

20222.3.2.11 SOLLVE

Yoon, Hong-Jun, Christopher Stanley, J. Blair Christian, Hilda B. Klasky, Andrew E. Blanchard, Eric B. Durbin, Xiao-Cheng Wu, et al. 2022. “Optimal Vocabulary Selection Approaches for Privacy-Preserving Deep NLP Model Training for Information Extraction and Cancer Epidemiology.” Edited by Karin D. Rodland. Cancer Biomarkers 33 (2): 185–98. https://doi.org/10.3233/cbm-210306.

20222.2.4.03 CANDLEDOE_SC_ASCR

Turner, John A, James Belak, Nathan Barton, Matthew Bement, Neil Carlson, Robert Carson, Stephen DeWitt, et al. 2022. “ExaAM: Metal Additive Manufacturing Simulation at the Fidelity of the Microstructure.” The International Journal of High Performance Computing Applications 36 (1): 13–39. https://doi.org/10.1177/10943420211042558.

20222.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Sivaraman, Ganesh, Gabor Csanyi, Alvaro Vazquez-Mayagoitia, Ian T. Foster, Stephen K. Wilke, Richard Weber, and Chris J. Benmore. 2022. “A Combined Machine Learning and High-Energy X-Ray Diffraction Approach to Understanding Liquid and Amorphous Metal Oxides.” Journal of the Physical Society of Japan 91 (9). https://doi.org/10.7566/jpsj.91.091009.

20222.2.6.08 ExaLearn

Rolchigo, Matthew, Robert Carson, and James Belak. 2022. “Understanding Uncertainty in Microstructure Evolution and Constitutive Properties in Additive Process Modeling.” Metals 12 (2): 324. https://doi.org/10.3390/met12020324.

20222.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Pitarka, Arben, Robert Graves, Kojiro Irikura, Ken Miyakoshi, Changjiang Wu, Hiroshi Kawase, Arthur Rodgers, and David McCallen. 2021. “Refinements to the Graves–Pitarka Kinematic Rupture Generator, Including a Dynamically Consistent Slip-Rate Function, Applied to the 2019 Mw 7.1 Ridgecrest Earthquake.” Bulletin of the Seismological Society of America, October. https://doi.org/10.1785/0120210138.

20212.2.3.03 EQSIMDOE_SC_ASCR

Oktay, Eda, and Erin Carson. 2022. “Multistage Mixed Precision Iterative Refinement.” Numerical Linear Algebra with Applications 29 (4). https://doi.org/10.1002/nla.2434.

20222.3.3.01 xSDK

Konrad, Julia, Ionuţ-Gabriel Farcaş, Benjamin Peherstorfer, Alessandro Di Siena, Frank Jenko, Tobias Neckel, and Hans-Joachim Bungartz. 2022. “Data-Driven Low-Fidelity Models for Multi-Fidelity Monte Carlo Sampling in Plasma Micro-Turbulence Analysis.” Journal of Computational Physics 451 (February): 110898. https://doi.org/10.1016/j.jcp.2021.110898.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Hu, Jonathan J., Christopher M. Siefert, and Raymond S. Tuminaro. 2022. “Smoothed Aggregation for Difficult Stretched Mesh and Coefficient Variation Problems.” Numerical Linear Algebra with Applications 29 (6). https://doi.org/10.1002/nla.2442.

20222.2.2.01 ExaWindDOE_SC_ASCR

Haering, Sigfried W., Todd A. Oliver, and Robert D. Moser. 2022. “Active Model Split Hybrid RANS/LES.” Physical Review Fluids 7 (1). https://doi.org/10.1103/physrevfluids.7.014603.

20222.2.2.01 ExaWindDOE_SC_ASCR

Evans, Thomas M, Andrew Siegel, Erik W Draeger, Jack Deslippe, Marianne M Francois, Timothy C Germann, William E Hart, and Daniel F Martin. 2021. “A Survey of Software Implementations Used by Application Codes in the Exascale Computing Project.” The International Journal of High Performance Computing Applications 36 (1): 5–12. https://doi.org/10.1177/10943420211028940.

20212.2 Application Development

Cao, Qinglei, George Bosilca, Nuria Losada, Wei Wu, Dong Zhong, and Jack Dongarra. 2022. “Evaluating Data Redistribution in PaRSEC.” IEEE Transactions on Parallel and Distributed Systems 33 (8): 1856–72. https://doi.org/10.1109/tpds.2021.3131657.

20222.3.1.09 ParSEC

Bielich, Daniel, Julien Langou, Stephen Thomas, Kasia Świrydowicz, Ichitaro Yamazaki, and Erik G. Boman. 2022. “Low-Synch Gram–Schmidt with Delayed Reorthogonalization for Krylov Solvers.” Parallel Computing 112 (September): 102940. https://doi.org/10.1016/j.parco.2022.102940.

20222.2.2.01 ExaWindDOE_SC_ASCR

Godoy, William F, Jenna Delozier, and Gregory R Watson. 2022. “Modeling Pre-Exascale AMR Parallel I/O Workloads via Proxy Applications.” 2022 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw55747.2022.00153.

20222.2.6.01 Proxy Apps

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.

20222.3.4.09 ADIOS

Poeschel, Franz, Juncheng E, William F. Godoy, Norbert Podhorszki, Scott Klasky, Greg Eisenhauer, Philip E. Davis, et al. 2022. “Transitioning from File-Based HPC Workflows to Streaming Data Pipelines with OpenPMD and ADIOS2.” Communications in Computer and Information Science, 99–118. https://doi.org/10.1007/978-3-030-96498-6_6.

20222.3.4.09 ADIOS

Underwood, Robert, Jon C. Calhoun, Sheng Di, Amy Apon, and Franck Cappello. 2022. “OptZConfig: Efficient Parallel Optimization of Lossy Compression Configuration.” IEEE Transactions on Parallel and Distributed Systems 33 (12): 3505–19. https://doi.org/10.1109/tpds.2022.3154096.

20222.3.4.14 VeloC-SZ

Zoni, Edoardo, Remi Lehe, Olga Shapoval, Daniel Belkin, Neil Zaïm, Luca Fedeli, Henri Vincenti, and Jean-Luc Vay. 2022. “A Hybrid Nodal-Staggered Pseudo-Spectral Electromagnetic Particle-in-Cell Method with Finite-Order Centering.” Computer Physics Communications 279 (October): 108457. https://doi.org/10.1016/j.cpc.2022.108457.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Siboni, Morteza H., and Mark S. Shephard. 2022. “Adaptive Workflow for Simulation of RF Heaters.” Computer Physics Communications 279 (October): 108434. https://doi.org/10.1016/j.cpc.2022.108434.

20222.2.6.06 CEED

Natarajan, Mahesh, Ray Grout, Weiqun Zhang, and Marc Day. 2022. “A Moving Embedded Boundary Approach for the Compressible Navier-Stokes Equations in a Block-Structured Adaptive Refinement Framework.” Journal of Computational Physics 465 (September): 111315. https://doi.org/10.1016/j.jcp.2022.111315.

20222.2.6.05 AMREX

Natarajan, Mahesh, Ray Grout, Weiqun Zhang, and Marc Day. 2022. “A Moving Embedded Boundary Approach for the Compressible Navier-Stokes Equations in a Block-Structured Adaptive Refinement Framework.” Journal of Computational Physics 465 (September): 111315. https://doi.org/10.1016/j.jcp.2022.111315.

20222.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Giuliani, A., A.S. Almgren, J.B. Bell, M.J. Berger, M.T. Henry de Frahan, and D. Rangarajan. 2022. “A Weighted State Redistribution Algorithm for Embedded Boundary Grids.” Journal of Computational Physics 464 (September): 111305. https://doi.org/10.1016/j.jcp.2022.111305.

20222.2.6.05 AMREX

Sturdevant, Benjamin J., and Luis Chacón. 2022. “Eliminating Finite-Grid Instabilities in Gyrokinetic Particle-in-Cell Simulations.” Journal of Computational Physics 464 (September): 111330. https://doi.org/10.1016/j.jcp.2022.111330.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Diederichs, S., C. Benedetti, A. Huebl, R. Lehe, A. Myers, A. Sinn, J.-L. Vay, W. Zhang, and M. Thévenet. 2022. “HiPACE++: A Portable, 3D Quasi-Static Particle-in-Cell Code.” Computer Physics Communications 278 (September): 108421. https://doi.org/10.1016/j.cpc.2022.108421.

20222.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Ahrens, James. 2022. “Technology Trends and Challenges for Large-Scale Scientific Visualization.” IEEE Computer Graphics and Applications 42 (4): 114–19. https://doi.org/10.1109/mcg.2022.3176325.

20222.3.4 Data and Visualization

Barker, Brandon L., Chelsea E. Harris, MacKenzie L. Warren, Evan P. O’Connor, and Sean M. Couch. 2022. “Connecting the Light Curves of Type IIP Supernovae to the Properties of Their Progenitors.” The Astrophysical Journal 934 (1): 67. https://doi.org/10.3847/1538-4357/ac77f3.

20222.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Chen, Yang, Junyi Cheng, and Scott E. Parker. 2022. “Evolution of the Marker Distribution in Gyrokinetic Δf Particle-in-Cell Simulations.” Physics of Plasmas 29 (7): 073901. https://doi.org/10.1063/5.0097207.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Liang, Xin, Ben Whitney, Jieyang Chen, Lipeng Wan, Qing Liu, Dingwen Tao, James Kress, et al. 2022. “MGARD+: Optimizing Multilevel Methods for Error-Bounded Scientific Data Reduction.” IEEE Transactions on Computers 71 (7): 1522–36. https://doi.org/10.1109/tc.2021.3092201.

20222.3.4.09 ADIOS

Seidl, Christopher, and Giuseppe M. J. Barca. 2022. “Q-Next: A Fast, Parallel, and Diagonalization-Free Alternative to Direct Inversion of the Iterative Subspace.” Journal of Chemical Theory and Computation 18 (7): 4164–76. https://doi.org/10.1021/acs.jctc.2c00073.

20222.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Wang, Qihan, Zhen Peng, Bin Ren, Jie Chen, and Robert G. Edwards. 2022. “MemHC: An Optimized GPU Memory Management Framework for Accelerating Many-Body Correlation.” ACM Transactions on Architecture and Code Optimization 19 (2): 1–26. https://doi.org/10.1145/3506705.

20222.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Higham, Nicholas J., and Theo Mary. 2022. “Mixed Precision Algorithms in Numerical Linear Algebra.” Acta Numerica 31 (May): 347–414. https://doi.org/10.1017/s0962492922000022.

20222.3.3.01 xSDK

Desai, Swapnil, Yujie Tao, Raghu Sivaramakrishnan, Yunchao Wu, Tianfeng Lu, and Jacqueline H. Chen. 2022. “Effects of Non-Thermal Termolecular Reactions on Detonation Development in Hydrogen (H2)/Methane (CH4) - Air Mixtures.” Combustion and Flame 244 (October): 112277">http://Www.W3.Org/1998/Math/MathML" Altimg="si18.Svg">2)/Methane (CH4) - Air Mixtures.” Combustion and Flame 244 (October): 112277. https://doi.org/10.1016/j.combustflame.2022.112277.

20222.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Zhou, Keren, Yueming Hao, John Mellor-Crummey, Xiaozhu Meng, and Xu Liu. 2022. “ValueExpert: Exploring Value Patterns in GPU-Accelerated Applications.” Proceedings of the 27th ACM International Conference on Architectural Support for Programming Languages and Operating Systems, February. https://doi.org/10.1145/3503222.3507708.

20222.3.2.08 HPCToolkit

Trivedi, P., J. Dominski, C. S. Chang, and S. Ku. 2022. “Toward the Core-Edge Coupling of Delta-f and Total-f Gyrokinetic Models.” Physics of Plasmas 29 (3): 032301. https://doi.org/10.1063/5.0077557.

20222.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Fullmer, William D., Roberto Porcu, Jordan Musser, Ann S. Almgren, and Ishan Srivastava. 2022. “The Divergence of Nearby Trajectories in Soft-Sphere DEM.” Particuology 63 (April): 1–8. https://doi.org/10.1016/j.partic.2021.06.008.

20222.2.6.05 AMREX

Fullmer, William D., Roberto Porcu, Jordan Musser, Ann S. Almgren, and Ishan Srivastava. 2022. “The Divergence of Nearby Trajectories in Soft-Sphere DEM.” Particuology 63 (April): 1–8. https://doi.org/10.1016/j.partic.2021.06.008.

20222.2.2.04 MFIX-ExaDOE_SC_ASCR

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.

20222.3.3.07 STRUMPACK/SuperLU

Garmon, Andrew, Vinay Ramakrishnaiah, and Danny Perez. 2022. “Resource Allocation for Task-Level Speculative Scientific Applications: A Proof of Concept Using Parallel Trajectory Splicing.” Parallel Computing 112 (September): 102936. https://doi.org/10.1016/j.parco.2022.102936.

20222.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Cojean, Terry, Yu-Hsiang Mike Tsai, and Hartwig Anzt. 2022. “Ginkgo—A Math Library Designed for Platform Portability.” Parallel Computing 111 (July): 102902. https://doi.org/10.1016/j.parco.2022.102902.

20222.3.3.07 STRUMPACK/SuperLU

Yu, Jiankai, and Benoit Forget. 2022. “Verification of Depletion Capability of OpenMC Using VERA Depletion Benchmark.” Annals of Nuclear Energy 170 (June): 108973. https://doi.org/10.1016/j.anucene.2022.108973.

20222.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Ghysels, Pieter, and Ryan Synk. 2022. “High Performance Sparse Multifrontal Solvers on Modern GPUs.” Parallel Computing 110 (May): 102897. https://doi.org/10.1016/j.parco.2022.102897.

20222.3.3.07 STRUMPACK/SuperLU

Poole, David, Jorge L. Galvez Vallejo, and Mark S. Gordon. 2022. “A Task-Based Approach to Parallel Restricted Hartree–Fock Calculations.” Journal of Chemical Theory and Computation 18 (4): 2144–61. https://doi.org/10.1021/acs.jctc.1c00820.

20222.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Carson, Erin, Kathryn Lund, Miroslav Rozložník, and Stephen Thomas. 2022. “Block Gram-Schmidt Algorithms and Their Stability Properties.” Linear Algebra and Its Applications 638 (April): 150–95. https://doi.org/10.1016/j.laa.2021.12.017.

20222.3.3.01 xSDK

Zhou, Keren, Mark W. Krentel, and John Mellor-Crummey. 2020. “Tools for Top-down Performance Analysis of GPU-Accelerated Applications.” Proceedings of the 34th ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3392717.3392752.

20202.3.2.08 HPCToolkit

Zhou, Keren, Xiaozhu Meng, Ryuichi Sai, and John Mellor-Crummey. 2021. “GPA: A GPU Performance Advisor Based on Instruction Sampling.” 2021 IEEE/ACM International Symposium on Code Generation and Optimization (CGO), February. https://doi.org/10.1109/cgo51591.2021.9370339.

20212.3.2.08 HPCToolkit

Meng, Xiaozhu, Jonathon M. Anderson, John Mellor-Crummey, Mark W. Krentel, Barton P. Miller, and Srđan Milaković. 2021. “Parallel Binary Code Analysis.” Proceedings of the 26th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3437801.3441604.

20212.3.2.08 HPCToolkit

Underwood, Robert, Victoriana Malvoso, Jon C. Calhoun, Sheng Di, and Franck Cappello. 2021. “Productive and Performant Generic Lossy Data Compression with LibPressio.” 2021 7th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-7), November. https://doi.org/10.1109/drbsd754563.2021.00005.

20212.3.4.14 VeloC-SZ

Underwood, Robert, Jon C. Calhoun, Sheng Di, Amy Apon, and Franck Cappello. 2022. “OptZConfig: Efficient Parallel Optimization of Lossy Compression Configuration.” IEEE Transactions on Parallel and Distributed Systems 33 (12): 3505–19. https://doi.org/10.1109/tpds.2022.3154096.

20222.3.4.14 VeloC-SZ

Germaschewski, K., B. Allen, T. Dannert, M. Hrywniak, J. Donaghy, G. Merlo, S. Ethier, E. D’Azevedo, F. Jenko, and A. Bhattacharjee. 2021. “Toward Exascale Whole-Device Modeling of Fusion Devices: Porting the GENE Gyrokinetic Microturbulence Code to GPU.” Physics of Plasmas 28 (6): 062501. https://doi.org/10.1063/5.0046327.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Zhong, Dong, Qinglei Cao, George Bosilca, and Jack Dongarra. 2022. “Using Long Vector Extensions for MPI Reductions.” Parallel Computing 109 (March): 102871. https://doi.org/10.1016/j.parco.2021.102871.

20222.3.3.13 CLOVER

Anzt, Hartwig, Terry Cojean, Goran Flegar, Fritz Göbel, Thomas Grützmacher, Pratik Nayak, Tobias Ribizel, Yuhsiang Mike Tsai, and Enrique S. Quintana-Ortí. 2022. “Ginkgo  : A Modern Linear Operator Algebra Framework for High Performance Computing.” ACM Transactions on Mathematical Software 48 (1): 1–33. https://doi.org/10.1145/3480935.

20222.3.3.07 STRUMPACK/SuperLU

Yang, Carl, Aydın Buluç, and John D. Owens. 2022. “GraphBLAST: A High-Performance Linear Algebra-Based Graph Framework on the GPU.” ACM Transactions on Mathematical Software 48 (1): 1–51. https://doi.org/10.1145/3466795.

20222.2.6.07 ExaGraph

Frontiere, Nicholas, Katrin Heitmann, Esteban Rangel, Patricia Larsen, Adrian Pope, Imran Sultan, Thomas Uram, Salman Habib, Silvio Rizzi, and Joe Insley. 2022. “Farpoint: A High-Resolution Cosmology Simulation at the Gigaparsec Scale.” The Astrophysical Journal Supplement Series 259 (1): 15. https://doi.org/10.3847/1538-4365/ac43b9.

20222.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

Bogle, Ian, George M. Slota, Erik G. Boman, Karen D. Devine, and Sivasankaran Rajamanickam. 2022. “Parallel Graph Coloring Algorithms for Distributed GPU Environments.” Parallel Computing 110 (May): 102896. https://doi.org/10.1016/j.parco.2022.102896.

20222.3.3.15 Sake

Knaus, Robert. 2022. “A Fast Matrix-Free Approach to the High-Order Control Volume Finite Element Method with Application to Low-Mach Flow.” Computers & Fluids 239 (May): 105408. https://doi.org/10.1016/j.compfluid.2022.105408.

20222.2.2.01 ExaWindDOE_SC_ASCR

Gawande, Nitin, Sayan Ghosh, Mahantesh Halappanavar, Antonino Tumeo, and Ananth Kalyanaraman. 2022. “Towards Scaling Community Detection on Distributed-Memory Heterogeneous Systems.” Parallel Computing 111 (July): 102898. https://doi.org/10.1016/j.parco.2022.102898.

20222.2.6.07 ExaGraph

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.

20222.3.1.16 SICM

Slattery, Stuart, Samuel Temple Reeve, Christoph Junghans, Damien Lebrun-Grandié, Robert Bird, Guangye Chen, Shane Fogerty, et al. 2022. “Cabana: A Performance Portable Library for Particle-Based Simulations.” Journal of Open Source Software 7 (72): 4115. https://doi.org/10.21105/joss.04115.

20222.2.6.04 COPA

Shudler, Sergei, Steve Petruzza, Valerio Pascucci, and Peer-Timo Bremer. 2021. “Portable and Composable Flow Graphs for In Situ Analytics.” 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav53230.2021.00014.

20212.3.4.16 ALPINE

Marsaglia, Nicole, Yuya Kawakami, Samuel D. Schwartz, Stefan Fields, and Hank Childs. 2021. “An Entropy-Based Approach for Identifying User-Preferred Camera Positions.” 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav53230.2021.00015.

20212.3.4.16 ALPINE

Larsen, Matthew, Cyrus Harrison, Terece L. Turton, Sudhanshu Sane, Stephanie Brink, and Hank Childs. 2021. “Trigger Happy: Assessing the Viability of Trigger-Based In Situ Analysis.” 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav53230.2021.00010.

20212.3.4.16 ALPINE

Sane, Sudhanshu, Chris R. Johnson, and Hank Childs. 2022. “Demonstrating the Viability of Lagrangian in Situ Reduction on Supercomputers.” Journal of Computational Science 61 (May): 101615. https://doi.org/10.1016/j.jocs.2022.101615.

20222.3.4.16 ALPINE

Dutta, Soumya, Humayra Tasnim, Terece L. Turton, and James Ahrens. 2021. “In Situ Adaptive Spatio-Temporal Data Summarization.” 2021 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata52589.2021.9671581.

20212.3.4.16 ALPINE

Priedhorsky, Reid, R. Shane Canon, Timothy Randles, and Andrew J. Younge. 2021. “Minimizing Privilege for Building HPC Containers.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3458817.3476187.

20212.3.5.09 Packaging

Choi, Jong Youl, Jeremy Logan, Kshitij Mehta, Eric Suchyta, William Godoy, Nick Thompson, Lipeng Wan, et al. 2019. “A Co-Design Study Of Fusion Whole Device Modeling Using Code Coupling.” 2019 IEEE/ACM 5th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-5), November. https://doi.org/10.1109/drbsd-549595.2019.00011.

20192.3.4.09 ADIOS

Chen, Jieyang, Lipeng Wan, Xin Liang, Ben Whitney, Qing Liu, David Pugmire, Nicholas Thompson, et al. 2021. “Accelerating Multigrid-Based Hierarchical Scientific Data Refactoring on GPUs.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00095.

20212.3.4.09 ADIOS

Chen, Jieyang, Lipeng Wan, Xin Liang, Ben Whitney, Qing Liu, David Pugmire, Nicholas Thompson, et al. 2021. “Accelerating Multigrid-Based Hierarchical Scientific Data Refactoring on GPUs.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps49936.2021.00095.

20212.2.6.03 CODAR

Kelly, Christopher, Sungsoo Ha, Kevin Huck, Hubertus Van Dam, Line Pouchard, Gyorgy Matyasfalvi, Li Tang, et al. 2020. “Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool.” ISAV’20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3426462.3426465.

20202.2.6.03 CODAR

Ravi, John, Suren Byna, and Quincey Koziol. 2020. “GPU Direct I/O with HDF5.” 2020 IEEE/ACM Fifth International Parallel Data Systems Workshop (PDSW), November. https://doi.org/10.1109/pdsw51947.2020.00010.

20202.3.4.15 ExaIO

Brown, Cade, Ahmad Abdelfattah, Stanimire Tomov, and Jack Dongarra. 2020. “Design, Optimization, and Benchmarking of Dense Linear Algebra Algorithms on AMD GPUs.” 2020 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec43674.2020.9286214.

20202.3.3.13 CLOVER

Bhatia, Harsh, Robert M. Kirby, Valerio Pascucci, and Peer-Timo Bremer. 2021. “Vector Field Decompositions Using Multiscale Poisson Kernel.” IEEE Transactions on Visualization and Computer Graphics 27 (9): 3781–93. https://doi.org/10.1109/tvcg.2020.2984413.

20212.3.4.16 ALPINE

Petrone, Floriana, Norman Abrahamson, David McCallen, Arben Pitarka, and Arthur Rodgers. 2021. “Engineering Evaluation of the EQSIM Simulated Ground‐motion Database: The San Francisco Bay Area Region.” Earthquake Engineering & Structural Dynamics 50 (15): 3939–61. https://doi.org/10.1002/eqe.3540.

20212.2.3.03 EQSIMDOE_SC_ASCR

Trott, Christian, Luc Berger-Vergiat, David Poliakoff, Sivasankaran Rajamanickam, Damien Lebrun-Grandie, Jonathan Madsen, Nader Al Awar, Milos Gligoric, Galen Shipman, and Geoff Womeldorff. 2021. “The Kokkos EcoSystem: Comprehensive Performance Portability for High Performance Computing.” Computing in Science & Engineering 23 (5): 10–18. https://doi.org/10.1109/mcse.2021.3098509.

20212.3.1.18 RAJA/Kokkos

Fedeli, L., A. Sainte-Marie, N. Zaim, M. Thévenet, J. L. Vay, A. Myers, F. Quéré, and H. Vincenti. 2021. “Probing Strong-Field QED with Doppler-Boosted Petawatt-Class Lasers.” Physical Review Letters 127 (11). https://doi.org/10.1103/physrevlett.127.114801.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Alexander, Francis J, James Ang, Jenna A Bilbrey, Jan Balewski, Tiernan Casey, Ryan Chard, Jong Choi, et al. 2021. “Co-Design Center for Exascale Machine Learning Technologies (ExaLearn).” The International Journal of High Performance Computing Applications 35 (6): 598–616. https://doi.org/10.1177/10943420211029302.

20212.2.6.08 ExaLearn

Acer, Seher, Ariful Azad, Erik G Boman, Aydın Buluç, Karen D. Devine, SM Ferdous, Nitin Gawande, et al. 2021. “EXAGRAPH: Graph and Combinatorial Methods for Enabling Exascale Applications.” The International Journal of High Performance Computing Applications 35 (6): 553–71. https://doi.org/10.1177/10943420211029299.

20212.2.6.07 ExaGraph

Sitaraman, Hariswaran, Shashank Yellapantula, Marc T. Henry de Frahan, Bruce Perry, Jon Rood, Ray Grout, and Marc Day. 2021. “Adaptive Mesh Based Combustion Simulations of Direct Fuel Injection Effects in a Supersonic Cavity Flame-Holder.” Combustion and Flame 232 (October): 111531. https://doi.org/10.1016/j.combustflame.2021.111531.

20212.2.6.05 AMREX

Sitaraman, Hariswaran, Shashank Yellapantula, Marc T. Henry de Frahan, Bruce Perry, Jon Rood, Ray Grout, and Marc Day. 2021. “Adaptive Mesh Based Combustion Simulations of Direct Fuel Injection Effects in a Supersonic Cavity Flame-Holder.” Combustion and Flame 232 (October): 111531. https://doi.org/10.1016/j.combustflame.2021.111531.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Vay, J.-L., A. Huebl, R. Lehe, N.M. Cook, R.J. England, U. Niedermayer, P. Piot, F. Tsung, and D. Winklehner. 2021. “Modeling of Advanced Accelerator Concepts.” Journal of Instrumentation 16 (10): T10003. https://doi.org/10.1088/1748-0221/16/10/t10003.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Sagan, D., M. Berz, N.M. Cook, Y. Hao, G. Hoffstaetter, A. Huebl, C.-K. Huang, et al. 2021. “Simulations of Future Particle Accelerators: Issues and Mitigations.” Journal of Instrumentation 16 (10): T10002. https://doi.org/10.1088/1748-0221/16/10/t10002.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Lyngaas, Isaac, Matthew Norman, and Youngsung Kim. 2021. “SAM++: Porting the E3SM-MMF Cloud Resolving Model Using a C++ Portability Library.” The International Journal of High Performance Computing Applications 36 (2): 214–30. https://doi.org/10.1177/10943420211044495.

20212.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Grützmacher, Thomas, Hartwig Anzt, and Enrique S. Quintana‐Ortí. 2021. “Using Ginkgo’s Memory Accessor for Improving the Accuracy of Memory‐bound Low Precision BLAS.” Software: Practice and Experience 53 (1): 81–98. https://doi.org/10.1002/spe.3041.

20212.3.3.01 xSDK

Harville, Taylor, and Mark S. Gordon. 2021. “Electronic Structure Theory Calculations Using Modern Architectures: KNL vs Haswell.” Journal of Chemical Theory and Computation 17 (11): 6910–17. https://doi.org/10.1021/acs.jctc.1c00705.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Pandey, Santosh, Zhibin Wang, Sheng Zhong, Chen Tian, Bolong Zheng, Xiaoye Li, Lingda Li, et al. 2021. “Trust: Triangle Counting Reloaded on GPUs.” IEEE Transactions on Parallel and Distributed Systems 32 (11): 2646–60. https://doi.org/10.1109/tpds.2021.3064892.

20212.2.6.07 ExaGraph

Witt, M., A. Psaltis, H. Yasin, C. Horn, M. Reichert, T. Kuroda, M. Obergaulinger, S. M. Couch, and A. Arcones. 2021. “Post-Explosion Evolution of Core-Collapse Supernovae.” The Astrophysical Journal 921 (1): 19. https://doi.org/10.3847/1538-4357/ac1a6d.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Fields, C. E., and Sean M. Couch. 2021. “Three-Dimensional Hydrodynamic Simulations of Convective Nuclear Burning in Massive Stars Near Iron Core Collapse.” The Astrophysical Journal 921 (1): 28. https://doi.org/10.3847/1538-4357/ac24fb.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Sandoval, Michael A., W. Raphael Hix, O. E. Bronson Messer, Eric J. Lentz, and J. Austin Harris. 2021. “Three-Dimensional Core-Collapse Supernova Simulations with 160 Isotopic Species Evolved to Shock Breakout.” The Astrophysical Journal 921 (2): 113. https://doi.org/10.3847/1538-4357/ac1d49.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Germann, Timothy C. 2021. “Co-Design in the Exascale Computing Project.” The International Journal of High Performance Computing Applications 35 (6): 503–7. https://doi.org/10.1177/10943420211059380.

20212.2.6 Co-Design

Sitaraman, Hariswaran, Nicholas Brunhart-Lupo, Marc Henry de Frahan, Shashank Yellapantula, Bruce Perry, Jon Rood, Ray Grout, Marc Day, Roba Binyahib, and Kenny Gruchalla. 2020. “Video: Direct Fuel Injection Effects in a Supersonic Cavity Flameholder.” 73th Annual Meeting of the APS Division of Fluid Dynamics - Gallery of Fluid Motion, November. https://doi.org/10.1103/aps.dfd.2020.gfm.v0026.

20202.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Richers, Sherwood, Donald Willcox, and Nicole Ford. 2021. “Neutrino Fast Flavor Instability in Three Dimensions.” Physical Review D 104 (10). https://doi.org/10.1103/physrevd.104.103023.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Clyde, Austin, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu Babuji, Ben Blaiszik, Alexander Brace, et al. 2021. “High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.” Journal of Chemical Information and Modeling 62 (1): 116–28. https://doi.org/10.1021/acs.jcim.1c00851.

20212.2.4.03 CANDLEDOE_SC_ASCR

Carson, Erin, Tomáš Gergelits, and Ichitaro Yamazaki. 2021. “Mixed Precision s ‐step Lanczos and Conjugate Gradient Algorithms.” Numerical Linear Algebra with Applications 29 (3). https://doi.org/10.1002/nla.2425.

20212.3.3.01 xSDK

Shapoval, Olga, Remi Lehe, Maxence Thévenet, Edoardo Zoni, Yinjian Zhao, and Jean-Luc Vay. 2021. “Overcoming Timestep Limitations in Boosted-Frame Particle-in-Cell Simulations of Plasma-Based Acceleration.” Physical Review E 104 (5). https://doi.org/10.1103/physreve.104.055311.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Eggenberger Andersen, Oliver, Shuai Zha, André da Silva Schneider, Aurore Betranhandy, Sean M. Couch, and Evan P. O’Connor. 2021. “Equation-of-State Dependence of Gravitational Waves in Core-Collapse Supernovae.” The Astrophysical Journal 923 (2): 201. https://doi.org/10.3847/1538-4357/ac294c.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Zhou, Keren, Laksono Adhianto, Jonathon Anderson, Aaron Cherian, Dejan Grubisic, Mark Krentel, Yumeng Liu, Xiaozhu Meng, and John Mellor-Crummey. 2021. “Measurement and Analysis of GPU-Accelerated Applications with HPCToolkit.” Parallel Computing 108 (December): 102837. https://doi.org/10.1016/j.parco.2021.102837.

20212.3.2.08 HPCToolkit

Tramm, John R., and Andrew R. Siegel. 2021. “Immortal Rays: Rethinking Random Ray Neutron Transport on GPU Architectures.” Parallel Computing 108 (December): 102832. https://doi.org/10.1016/j.parco.2021.102832.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Myers, A., A. Almgren, L.D. Amorim, J. Bell, L. Fedeli, L. Ge, K. Gott, et al. 2021. “Porting WarpX to GPU-Accelerated Platforms.” Parallel Computing 108 (December): 102833. https://doi.org/10.1016/j.parco.2021.102833.

20212.2.6.05 AMREX

Myers, A., A. Almgren, L.D. Amorim, J. Bell, L. Fedeli, L. Ge, K. Gott, et al. 2021. “Porting WarpX to GPU-Accelerated Platforms.” Parallel Computing 108 (December): 102833. https://doi.org/10.1016/j.parco.2021.102833.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Moreland, Kenneth, Robert Maynard, David Pugmire, Abhishek Yenpure, Allison Vacanti, Matthew Larsen, and Hank Childs. 2021. “Minimizing Development Costs for Efficient Many-Core Visualization Using MCD3.” Parallel Computing 108 (December): 102834. https://doi.org/10.1016/j.parco.2021.102834.

20212.3.4.13 ECP/VTK-m

Mills, Richard Tran, Mark F. Adams, Satish Balay, Jed Brown, Alp Dener, Matthew Knepley, Scott E. Kruger, et al. 2021. “Toward Performance-Portable PETSc for GPU-Based Exascale Systems.” Parallel Computing 108 (December): 102831. https://doi.org/10.1016/j.parco.2021.102831.

20212.3.3.06 PETSc/TAO

Dosanjh, Matthew G.F., Andrew Worley, Derek Schafer, Prema Soundararajan, Sheikh Ghafoor, Anthony Skjellum, Purushotham V. Bangalore, and Ryan E. Grant. 2021. “Implementation and Evaluation of MPI 4.0 Partitioned Communication Libraries.” Parallel Computing 108 (December): 102827. https://doi.org/10.1016/j.parco.2021.102827.

20212.3.1.17 OMPI-X

Couch, Sean M., Jared Carlson, Michael Pajkos, Brian W. O’Shea, Anshu Dubey, and Tom Klosterman. 2021. “Towards Performance Portability in the Spark Astrophysical Magnetohydrodynamics Solver in the Flash-X Simulation Framework.” Parallel Computing 108 (December): 102830. https://doi.org/10.1016/j.parco.2021.102830.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Balos, Cody J., David J. Gardner, Carol S. Woodward, and Daniel R. Reynolds. 2021. “Enabling GPU Accelerated Computing in the SUNDIALS Time Integration Library.” Parallel Computing 108 (December): 102836. https://doi.org/10.1016/j.parco.2021.102836.

20212.3.3.12 SUNDIALS/Hypre

Abdelfattah, Ahmad, Valeria Barra, Natalie Beams, Ryan Bleile, Jed Brown, Jean-Sylvain Camier, Robert Carson, et al. 2021. “GPU Algorithms for Efficient Exascale Discretizations.” Parallel Computing 108 (December): 102841. https://doi.org/10.1016/j.parco.2021.102841.

20212.2.6.06 CEED

Desai, Saaketh, Samuel Temple Reeve, and James F. Belak. 2022. “Implementing a Neural Network Interatomic Model with Performance Portability for Emerging Exascale Architectures.” Computer Physics Communications 270 (January): 108156. https://doi.org/10.1016/j.cpc.2021.108156.

20222.2.6.04 COPA

Harper, S.M., K. Smith, and B. Forget. 2022. “Efficient MC–CMFD Multiphysics.” Annals of Nuclear Energy 165 (January): 108773. https://doi.org/10.1016/j.anucene.2021.108773.

20222.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Peng, Ivy B., Maya B. Gokhale, Karim Youssef, Keita Iwabuchi, and Roger Pearce. 2022. “Enabling Scalable and Extensible Memory-Mapped Datastores in Userspace.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 866–77. https://doi.org/10.1109/tpds.2021.3086302.

20222.3.1.19 Argo

Ghosh, Supriyo, Christopher K. Newman, and Marianne M. Francois. 2022. “Tusas: A Fully Implicit Parallel Approach for Coupled Phase-Field Equations.” Journal of Computational Physics 448 (January): 110734. https://doi.org/10.1016/j.jcp.2021.110734.

20222.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Hamilton, Steven P., Thomas M. Evans, Katherine E. Royston, and Elliott D. Biondo. 2022. “Domain Decomposition in the GPU-Accelerated Shift Monte Carlo Code.” Annals of Nuclear Energy 166 (February): 108687. https://doi.org/10.1016/j.anucene.2021.108687.

20222.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Thompson, Aidan P., H. Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in ’t Veld, et al. 2022. “LAMMPS - a Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales.” Computer Physics Communications 271 (February): 108171. https://doi.org/10.1016/j.cpc.2021.108171.

20222.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Azad, Ariful, Oguz Selvitopi, Md Taufique Hussain, John R. Gilbert, and Aydn Buluc. 2022. “Combinatorial BLAS 2.0: Scaling Combinatorial Algorithms on Distributed-Memory Systems.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 989–1001. https://doi.org/10.1109/tpds.2021.3094091.

20222.2.6.07 ExaGraph

Hudson, Stephen, Jeffrey Larson, John-Luke Navarro, and Stefan M. Wild. 2022. “LibEnsemble: A Library to Coordinate the Concurrent Evaluation of Dynamic Ensembles of Calculations.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 977–88. https://doi.org/10.1109/tpds.2021.3082815.

20222.3.3.06 PETSc/TAO

Wan, Lipeng, Axel Huebl, Junmin Gu, Franz Poeschel, Ana Gainaru, Ruonan Wang, Jieyang Chen, et al. 2022. “Improving I/O Performance for Exascale Applications Through Online Data Layout Reorganization.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 878–90. https://doi.org/10.1109/tpds.2021.3100784.

20222.3.4.09 ADIOS

Ghosh, Sayan, Nathan Tallent, and Mahantesh Halappanavar. 2021. “Characterizing Performance of Graph Neighborhood Communication Patterns.” IEEE Transactions on Parallel and Distributed Systems, 1–1. https://doi.org/10.1109/tpds.2021.3101425.

20212.2.6.07 ExaGraph

Tang, Houjun, Quincey Koziol, John Ravi, and Suren Byna. 2022. “Transparent Asynchronous Parallel I/O Using Background Threads.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 891–902. https://doi.org/10.1109/tpds.2021.3090322.

20222.3.4.15 ExaIO

Zhou, Keren, Xiaozhu Meng, Ryuichi Sai, Dejan Grubisic, and John Mellor-Crummey. 2022. “An Automated Tool for Analysis and Tuning of GPU-Accelerated Code in HPC Applications.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 854–65. https://doi.org/10.1109/tpds.2021.3094169.

20222.3.2.08 HPCToolkit

Zhang, Junchao, Jed Brown, Satish Balay, Jacob Faibussowitsch, Matthew Knepley, Oana Marin, Richard Tran Mills, Todd Munson, Barry F. Smith, and Stefano Zampini. 2022. “The PetscSF Scalable Communication Layer.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 842–53. https://doi.org/10.1109/tpds.2021.3084070.

20222.3.3.06 PETSc/TAO

Trott, Christian R., Damien Lebrun-Grandie, Daniel Arndt, Jan Ciesko, Vinh Dang, Nathan Ellingwood, Rahulkumar Gayatri, et al. 2022. “Kokkos 3: Programming Model Extensions for the Exascale Era.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 805–17. https://doi.org/10.1109/tpds.2021.3097283.

20222.3.1.18 RAJA/Kokkos

Gaihre, Anil, Xiaoye Sherry Li, and Hang Liu. 2022. “GSoFa: Scalable Sparse Symbolic LU Factorization on GPUs.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 1015–26. https://doi.org/10.1109/tpds.2021.3090316.

20222.3.3.07 STRUMPACK/SuperLU

Thavappiragasam, Mathialakan, Vivek Kale, Oscar Hernandez, and Ada Sedova. 2021. “Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs.” 2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM), December. https://doi.org/10.1109/bibm52615.2021.9669317.

20212.3.2.11 SOLLVE

Williams-Young, David B., Abhishek Bagusetty, Wibe A. de Jong, Douglas Doerfler, Hubertus J.J. van Dam, Álvaro Vázquez-Mayagoitia, Theresa L. Windus, and Chao Yang. 2021. “Achieving Performance Portability in Gaussian Basis Set Density Functional Theory on Accelerator Based Architectures in NWChemEx.” Parallel Computing 108 (December): 102829. https://doi.org/10.1016/j.parco.2021.102829.

20212.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Sane, Sudhanshu, Abhishek Yenpure, Roxana Bujack, Matthew Larsen, Kenneth Moreland, Christoph Garth, Chris R. Johnson, and Hank Childs. 2021. “Scalable In Situ Computation of Lagrangian Representations via Local Flow Maps.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20211040.

20212.3.4.16 ALPINE

Binyahib, Roba, David Pugmire, and Hank Childs. 2021. “HyLiPoD: Parallel Particle Advection Via a Hybrid of Lifeline Scheduling and Parallelization-Over-Data.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20211038.

20212.3.4.16 ALPINE

Bauer, Michael, Wonchan Lee, Elliott Slaughter, Zhihao Jia, Mario Di Renzo, Manolis Papadakis, Galen Shipman, Patrick McCormick, Michael Garland, and Alex Aiken. 2021. “Scaling Implicit Parallelism via Dynamic Control Replication.” Proceedings of the 26th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3437801.3441587.

20212.3.1.08 Legion

Eldred, Christopher, and François Gay-Balmaz. 2021. “Thermodynamically Consistent Semi-Compressible Fluids: A Variational Perspective.” Journal of Physics A: Mathematical and Theoretical 54 (34): 345701. https://doi.org/10.1088/1751-8121/ac1384.

20212.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Mehta, Kshitij, Bryce Allen, Matthew Wolf, Jeremy Logan, Eric Suchyta, Swati Singhal, Jong Y. Choi, et al. 2021. “A Codesign Framework for Online Data Analysis and Reduction.” Concurrency and Computation: Practice and Experience 34 (14). https://doi.org/10.1002/cpe.6519.

20212.2.6.03 CODAR

Kommera, Pranay Reddy, Vinay Ramakrishnaiah, Christine Sweeney, Jeffrey Donatelli, and Petrus H. Zwart. 2021. “GPU-Accelerated Multitiered Iterative Phasing Algorithm for Fluctuation X-Ray Scattering.” Journal of Applied Crystallography 54 (4): 1179–88. https://doi.org/10.1107/s1600576721005744.

20212.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

Guo, Hanqi, David Lenz, Jiayi Xu, Xin Liang, Wenbin He, Iulian R. Grindeanu, Han-Wei Shen, Tom Peterka, Todd Munson, and Ian Foster. 2021. “FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking.” IEEE Transactions on Visualization and Computer Graphics 27 (8): 3463–80. https://doi.org/10.1109/tvcg.2021.3073399.

20212.2.6.03 CODAR

Harris, J. Austin, Ran Chu, Sean M Couch, Anshu Dubey, Eirik Endeve, Antigoni Georgiadou, Rajeev Jain, et al. 2021. “Exascale Models of Stellar Explosions: Quintessential Multi-Physics Simulation.” The International Journal of High Performance Computing Applications 36 (1): 59–77. https://doi.org/10.1177/10943420211027937.

20212.2.6.05 AMREX

Harris, J. Austin, Ran Chu, Sean M Couch, Anshu Dubey, Eirik Endeve, Antigoni Georgiadou, Rajeev Jain, et al. 2021. “Exascale Models of Stellar Explosions: Quintessential Multi-Physics Simulation.” The International Journal of High Performance Computing Applications 36 (1): 59–77. https://doi.org/10.1177/10943420211027937.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Hannah, Walter M., Andrew M. Bradley, Oksana Guba, Qi Tang, Jean‐Christophe Golaz, and Jon Wolfe. 2021. “Separating Physics and Dynamics Grids for Improved Computational Efficiency in Spectral Element Earth System Models.” Journal of Advances in Modeling Earth Systems 13 (7). https://doi.org/10.1029/2020ms002419.

20212.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

Mniszewski, Susan M, James Belak, Jean-Luc Fattebert, Christian FA Negre, Stuart R Slattery, Adetokunbo A Adedoyin, Robert F Bird, et al. 2021. “Enabling Particle Applications for Exascale Computing Platforms.” The International Journal of High Performance Computing Applications 35 (6): 572–97. https://doi.org/10.1177/10943420211022829.

20212.2.6.04 COPA

Fang, Jun, Dillon R. Shaver, Ananias Tomboulides, Misun Min, Paul Fischer, Yu-Hsiang Lan, Ronald Rahaman, et al. 2021. “Feasibility of Full-Core Pin Resolved CFD Simulations of Small Modular Reactor with Momentum Sources.” Nuclear Engineering and Design 378 (July): 111143. https://doi.org/10.1016/j.nucengdes.2021.111143.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Wang, Sophie, and Tianfeng Lu. 2021. “A Spectral Method for Fast Sensitivity Analysis: Perfectly Stirred Reactors.” Combustion and Flame 229 (July): 111414. https://doi.org/10.1016/j.combustflame.2021.111414.

20212.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Lambert, Jacob, Seyong Lee, Jeffrey S. Vetter, and Allen D. Malony. 2021. “Optimization with the OpenACC-to-FPGA Framework on the Arria 10 and Stratix 10 FPGAs.” Parallel Computing 104–105 (July): 102784. https://doi.org/10.1016/j.parco.2021.102784.

20212.3.2.10 PROTEAS-TUNE

Cho, Eunice, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, et al. 2021. “Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.” Journal of Chemical Information and Modeling 61 (6): 3058–73. https://doi.org/10.1021/acs.jcim.1c00449.

20212.2.4.03 CANDLEDOE_SC_ASCR

Zahariev, F., and M. S. Gordon. 2021. “Combined Quantum Monte Carlo – Effective Fragment Molecular Orbital Method: Fragmentation across Covalent Bonds.” Physical Chemistry Chemical Physics 23 (26): 14308–14. https://doi.org/10.1039/d0cp06528e.

20212.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Foster, Ian, Mark Ainsworth, Julie Bessac, Franck Cappello, Jong Choi, Sheng Di, Zichao Di, et al. 2021. “Online Data Analysis and Reduction: An Important Co-Design Motif for Extreme-Scale Computers.” The International Journal of High Performance Computing Applications 35 (6): 617–35. https://doi.org/10.1177/10943420211023549.

20212.2.6.03 CODAR

Zhang, Weiqun, Andrew Myers, Kevin Gott, Ann Almgren, and John Bell. 2021. “AMReX: Block-Structured Adaptive Mesh Refinement for Multiphysics Applications.” The International Journal of High Performance Computing Applications 35 (6): 508–26. https://doi.org/10.1177/10943420211022811.

20212.2.6.05 AMREX

Kolev, Tzanio, Paul Fischer, Misun Min, Jack Dongarra, Jed Brown, Veselin Dobrev, Tim Warburton, et al. 2021. “Efficient Exascale Discretizations: High-Order Finite Element Methods.” The International Journal of High Performance Computing Applications 35 (6): 527–52. https://doi.org/10.1177/10943420211020803.

20212.2.6.06 CEED

Xu, Jiayi, Hanqi Guo, Han-Wei Shen, Mukund Raj, Xueyun Wang, Xueqiao Xu, Zhehui Wang, and Tom Peterka. 2021. “Asynchronous and Load-Balanced Union-Find for Distributed and Parallel Scientific Data Visualization and Analysis.” IEEE Transactions on Visualization and Computer Graphics 27 (6): 2808–20. https://doi.org/10.1109/tvcg.2021.3074584.

20212.2.6.03 CODAR

Sivaraman, Ganesh, Jicheng Guo, Logan Ward, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, and Nicholas Jackson. 2021. “Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl.” The Journal of Physical Chemistry Letters 12 (17): 4278–85. https://doi.org/10.1021/acs.jpclett.1c00901.

20212.2.6.08 ExaLearn

Gropp, William, Rajeev Thakur, and Pavan Balaji. 2021. “Translational Research in the MPICH Project.” Journal of Computational Science 52 (May): 101203. https://doi.org/10.1016/j.jocs.2020.101203.

20212.3.1.07 Exascale MPI

Harpole, A., N. M. Ford, K. Eiden, M. Zingale, D. E. Willcox, Y. Cavecchi, and M. P. Katz. 2021. “Dynamics of Laterally Propagating Flames in X-Ray Bursts. II. Realistic Burning and Rotation.” The Astrophysical Journal 912 (1): 36. https://doi.org/10.3847/1538-4357/abee87.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Waldrop, Jonathan M., Theresa L. Windus, and Niranjan Govind. 2021. “Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning Approaches.” The Journal of Physical Chemistry A 125 (29): 6384–93. https://doi.org/10.1021/acs.jpca.1c03821.

20212.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Wells, Scott, Alex Plotkowski, and Matthew John M. Krane. 2021. “Propagation of Input Uncertainties in Numerical Simulations of Laser Powder Bed Fusion.” Metallurgical and Materials Transactions B 52 (5): 3016–31. https://doi.org/10.1007/s11663-021-02218-2.

20212.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Boudwin, Kathlyn, Douglas Collins, Cathleen Lavelle, and Julia White. 2020. “Navigating the Road to Successfully Manage a Large-Scale Research and Development Project: The Exascale Computing Project (ECP) Experience.” Driving Scientific and Engineering Discoveries Through the Convergence of HPC, Big Data and AI, 381–93. https://doi.org/10.1007/978-3-030-63393-6_25.

20202.1 Project Management

Sane, Sudhanshu, Chris R. Johnson, and Hank Childs. 2021. “Investigating In Situ Reduction via Lagrangian Representations for Cosmology and Seismology Applications.” Lecture Notes in Computer Science, 436–50. https://doi.org/10.1007/978-3-030-77961-0_36.

20212.3.4.16 ALPINE

Romero, Eloy, Andreas Stathopoulos, and Kostas Orginos. 2020. “Multigrid Deflation for Lattice QCD.” Journal of Computational Physics 409 (May): 109356. https://doi.org/10.1016/j.jcp.2020.109356.

20202.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Joó, Bálint, Joseph Karpie, Kostas Orginos, Anatoly V. Radyushkin, David G. Richards, and Savvas Zafeiropoulos. 2020. “Parton Distribution Functions from Ioffe Time Pseudodistributions from Lattice Calculations: Approaching the Physical Point.” Physical Review Letters 125 (23). https://doi.org/10.1103/physrevlett.125.232003.

20202.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Wilson, David J., Raúl A. Briceño, Jozef J. Dudek, Robert G. Edwards, and Christopher E. Thomas. 2019. “Quark-Mass Dependence of Elastic πK Scattering from QCD.” Physical Review Letters 123 (4)">http://Www.W3.Org/1998/Math/MathML" Display="inline">πK Scattering from QCD.” Physical Review Letters 123 (4). https://doi.org/10.1103/physrevlett.123.042002.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Woss, Antoni J., Christopher E. Thomas, Jozef J. Dudek, Robert G. Edwards, and David J. Wilson. 2019. “b1 Resonance in Coupled πω, πϕ Scattering from Lattice QCD.” Physical Review D 100 (5)">http://Www.W3.Org/1998/Math/MathML" Display="inline">πϕ Scattering from Lattice QCD.” Physical Review D 100 (5). https://doi.org/10.1103/physrevd.100.054506.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Sufian, Raza Sabbir, Colin Egerer, Joseph Karpie, Robert G. Edwards, Bálint Joó, Yan-Qing Ma, Kostas Orginos, Jian-Wei Qiu, and David G. Richards. 2020. “Pion Valence Quark Distribution from Current-Current Correlation in Lattice QCD.” Physical Review D 102 (5). https://doi.org/10.1103/physrevd.102.054508.

20202.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Hansen, Maxwell T., Raul A. Briceño, Robert G. Edwards, Christopher E. Thomas, and David J. Wilson. 2021. “Energy-Dependent π+π+π+ Scattering Amplitude from QCD.” Physical Review Letters 126 (1)">http://Www.W3.Org/1998/Math/MathML" Display="inline">π+π+π+ Scattering Amplitude from QCD.” Physical Review Letters 126 (1). https://doi.org/10.1103/physrevlett.126.012001.

20212.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Woss, Antoni J., Jozef J. Dudek, Robert G. Edwards, Christopher E. Thomas, and David J. Wilson. 2021. “Decays of an Exotic 1+ Hybrid Meson Resonance in QCD.” Physical Review D 103 (5)">http://Www.W3.Org/1998/Math/MathML" Display="inline">1+ Hybrid Meson Resonance in QCD.” Physical Review D 103 (5). https://doi.org/10.1103/physrevd.103.054502.

20212.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Egerer, Colin, Robert G. Edwards, Kostas Orginos, and David G. Richards. 2021. “Distillation at High Momentum.” Physical Review D 103 (3). https://doi.org/10.1103/physrevd.103.034502.

20212.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Hoang, Duong, Brian Summa, Harsh Bhatia, Peter Lindstrom, Pavol Klacansky, Will Usher, Peer-Timo Bremer, and Valerio Pascucci. 2021. “Efficient and Flexible Hierarchical Data Layouts for a Unified Encoding of Scalar Field Precision and Resolution.” IEEE Transactions on Visualization and Computer Graphics 27 (2): 603–13. https://doi.org/10.1109/tvcg.2020.3030381.

20212.3.4.16 ALPINE

Huang, Xinyi, Suphanut Jamonnak, Ye Zhao, Boyu Wang, Minh Hoai, Kevin Yager, and Wei Xu. 2021. “Interactive Visual Study of Multiple Attributes Learning Model of X-Ray Scattering Images.” IEEE Transactions on Visualization and Computer Graphics 27 (2): 1312–21. https://doi.org/10.1109/tvcg.2020.3030384.

20212.2.6.03 CODAR

Chen, Haotian, Stefan Tirkas, and Scott E. Parker. 2021. “Excitation of Zonal Flow by Intermediate-Scale Toroidal Electron Temperature Gradient Turbulence.” Nuclear Fusion 61 (6): 066017. https://doi.org/10.1088/1741-4326/abf81a.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

McCallen, David, Houjun Tang, Suiwen Wu, Eric Eckert, Junfei Huang, and N Anders Petersson. 2021. “Coupling of Regional Geophysics and Local Soil-Structure Models in the EQSIM Fault-to-Structure Earthquake Simulation Framework.” The International Journal of High Performance Computing Applications 36 (1): 78–92. https://doi.org/10.1177/10943420211019118.

20212.2.3.03 EQSIMDOE_SC_ASCR

Suchyta, Eric, Scott Klasky, Norbert Podhorszki, Matthew Wolf, Abolaji Adesoji, CS Chang, Jong Choi, et al. 2021. “The Exascale Framework for High Fidelity Coupled Simulations (EFFIS): Enabling Whole Device Modeling in Fusion Science.” The International Journal of High Performance Computing Applications 36 (1): 106–28. https://doi.org/10.1177/10943420211019119.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Suchyta, Eric, Scott Klasky, Norbert Podhorszki, Matthew Wolf, Abolaji Adesoji, CS Chang, Jong Choi, et al. 2021. “The Exascale Framework for High Fidelity Coupled Simulations (EFFIS): Enabling Whole Device Modeling in Fusion Science.” The International Journal of High Performance Computing Applications 36 (1): 106–28. https://doi.org/10.1177/10943420211019119.

20212.3.4.09 ADIOS

Song, Y., B. Radhakrishnan, S. Gorti, and R. Acharya. 2021. “Precipitate Growth Kinetics under Inhomogeneous Concentration Fields Using a Phase-Field Model.” Physical Review Materials 5 (5). https://doi.org/10.1103/physrevmaterials.5.053401.

20212.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Mollén, Albert, M. F. Adams, M. G. Knepley, R. Hager, and C. S. Chang. 2021. “Implementation of Higher-Order Velocity Mapping between Marker Particles and Grid in the Particle-in-Cell Code XGC.” Journal of Plasma Physics 87 (2). https://doi.org/10.1017/s0022377821000441.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Yang, L., D. Perez, and B.D. Wirth. 2021. “Stability and Mobility of Tungsten Clusters on Tungsten (110) Surface: Ab Initio and Atomistic Simulations.” Surface Science 707 (May): 121806. https://doi.org/10.1016/j.susc.2021.121806.

20212.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Richers, Sherwood, Don E. Willcox, Nicole M. Ford, and Andrew Myers. 2021. “Particle-in-Cell Simulation of the Neutrino Fast Flavor Instability.” Physical Review D 103 (8). https://doi.org/10.1103/physrevd.103.083013.

20212.2.6.05 AMREX

Casalino, Lorenzo, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, et al. 2021. “AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.” The International Journal of High Performance Computing Applications 35 (5): 432–51. https://doi.org/10.1177/10943420211006452.

20212.2.6.04 COPA

Musser, Jordan, Ann S Almgren, William D Fullmer, Oscar Antepara, John B Bell, Johannes Blaschke, Kevin Gott, et al. 2021. “MFIX-Exa: A Path toward Exascale CFD-DEM Simulations.” The International Journal of High Performance Computing Applications 36 (1): 40–58. https://doi.org/10.1177/10943420211009293.

20212.2.2.04 MFIX-ExaDOE_SC_ASCR

Cusentino, M.A., M.A. Wood, and A.P. Thompson. 2021. “Beryllium-Driven Structural Evolution at the Divertor Surface.” Nuclear Fusion 61 (4): 046049. https://doi.org/10.1088/1741-4326/abe7bd.

20212.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Woss, Antoni J., Jozef J. Dudek, Robert G. Edwards, Christopher E. Thomas, and David J. Wilson. 2021. “Decays of an Exotic 1+ Hybrid Meson Resonance in QCD.” Physical Review D 103 (5)">http://Www.W3.Org/1998/Math/MathML" Display="inline">1+ Hybrid Meson Resonance in QCD.” Physical Review D 103 (5). https://doi.org/10.1103/physrevd.103.054502.

20212.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

De Angeli, Kevin, Shang Gao, Mohammed Alawad, Hong-Jun Yoon, Noah Schaefferkoetter, Xiao-Cheng Wu, Eric B. Durbin, et al. 2021. “Deep Active Learning for Classifying Cancer Pathology Reports.” BMC Bioinformatics 22 (1). https://doi.org/10.1186/s12859-021-04047-1.

20212.2.4.03 CANDLEDOE_SC_ASCR

Klion, Hannah, Paul C Duffell, Daniel Kasen, and Eliot Quataert. 2021. “The Effect of Jet–Ejecta Interaction on the Viewing Angle Dependence of Kilonova Light Curves.” Monthly Notices of the Royal Astronomical Society 502 (1): 865–75. https://doi.org/10.1093/mnras/stab042.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Shen, Ken J., Stéphane Blondin, Daniel Kasen, Luc Dessart, Dean M. Townsley, Samuel Boos, and D. John Hillier. 2021. “Non-Local Thermodynamic Equilibrium Radiative Transfer Simulations of Sub-Chandrasekhar-Mass White Dwarf Detonations.” The Astrophysical Journal Letters 909 (2): L18. https://doi.org/10.3847/2041-8213/abe69b.

20212.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Calvin, Justus A., Chong Peng, Varun Rishi, Ashutosh Kumar, and Edward F. Valeev. 2020. “Many-Body Quantum Chemistry on Massively Parallel Computers.” Chemical Reviews 121 (3): 1203–31. https://doi.org/10.1021/acs.chemrev.0c00006.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Dominski, J., J. Cheng, G. Merlo, V. Carey, R. Hager, L. Ricketson, J. Choi, et al. 2021. “Spatial Coupling of Gyrokinetic Simulations, a Generalized Scheme Based on First-Principles.” Physics of Plasmas 28 (2): 022301. https://doi.org/10.1063/5.0027160.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Liu, Yang, Xin Xing, Han Guo, Eric Michielssen, Pieter Ghysels, and Xiaoye Sherry Li. 2021. “Butterfly Factorization Via Randomized Matrix-Vector Multiplications.” SIAM Journal on Scientific Computing 43 (2): A883–907. https://doi.org/10.1137/20m1315853.

20212.3.3.07 STRUMPACK/SuperLU

Ricketson, L.F., and L. Chacón. 2020. “An Energy-Conserving and Asymptotic-Preserving Charged-Particle Orbit Implicit Time Integrator for Arbitrary Electromagnetic Fields.” Journal of Computational Physics 418 (October): 109639. https://doi.org/10.1016/j.jcp.2020.109639.

20202.2.6.04 COPA

Tangtartharakul, Kavin, Guangye Chen, and Alexey Arefiev. 2021. “Particle Integrator for Particle-in-Cell Simulations of Ultra-High Intensity Laser-Plasma Interactions.” Journal of Computational Physics 434 (June): 110233. https://doi.org/10.1016/j.jcp.2021.110233.

20212.2.6.04 COPA

Iwabuchi, Keita, Lance Lebanoff, Maya Gokhale, and Roger Pearce. 2019. “Metall: A Persistent Memory Allocator Enabling Graph Processing.” 2019 IEEE/ACM 9th Workshop on Irregular Applications: Architectures and Algorithms (IA3), November. https://doi.org/10.1109/ia349570.2019.00012.

20192.3.1.16 SICM

Patil, Onkar, Frank Mueller, Latchesar Ionkov, Jason Lee, and Michael Lang. 2020. “Symbiotic HW Cache and SW DTLB Prefetching for DRAM/NVM Hybrid Memory.” 2020 28th International Symposium on Modeling, Analysis, and Simulation of Computer and Telecommunication Systems (MASCOTS), November. https://doi.org/10.1109/mascots50786.2020.9285963.

20202.3.1.16 SICM

Effler, T. Chad, Brandon Kammerdiener, Michael R. Jantz, Saikat Sengupta, Prasad A. Kulkarni, Kshitij A. Doshi, and Terry Jones. 2019. “Evaluating the Effectiveness of Program Data Features for Guiding Memory Management.” Proceedings of the International Symposium on Memory Systems, September. https://doi.org/10.1145/3357526.3357537.

20192.3.1.16 SICM

Williams, Sean, Latchesar Ionkov, Michael Lang, and Jason Lee. 2018. “Heterogeneous Memory and Arena-Based Heap Allocation.” Proceedings of the Workshop on Memory Centric High Performance Computing, November. https://doi.org/10.1145/3286475.3286568.

20182.3.1.16 SICM

Olson, M. Ben, Brandon Kammerdiener, Michael R. Jantz, Kshitij A. Doshi, and Terry Jones. 2019. “Portable Application Guidance for Complex Memory Systems.” Proceedings of the International Symposium on Memory Systems, September. https://doi.org/10.1145/3357526.3357575.

20192.3.1.16 SICM

Effler, T. Chad, Michael R. Jantz, and Terry Jones. 2020. “Performance Potential of Mixed Data Management Modes for Heterogeneous Memory Systems.” 2020 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), November. https://doi.org/10.1109/mchpc51950.2020.00007.

20202.3.1.16 SICM

McCallen, David, Floriana Petrone, Mamun Miah, Arben Pitarka, Arthur Rodgers, and Norman Abrahamson. 2020. “EQSIM—A Multidisciplinary Framework for Fault-to-Structure Earthquake Simulations on Exascale Computers, Part II: Regional Simulations of Building Response.” Earthquake Spectra 37 (2): 736–61. https://doi.org/10.1177/8755293020970980.

20202.2.3.03 EQSIMDOE_SC_ASCR

McCallen, David, Anders Petersson, Arthur Rodgers, Arben Pitarka, Mamun Miah, Floriana Petrone, Bjorn Sjogreen, Norman Abrahamson, and Houjun Tang. 2020. “EQSIM—A Multidisciplinary Framework for Fault-to-Structure Earthquake Simulations on Exascale Computers Part I: Computational Models and Workflow.” Earthquake Spectra 37 (2): 707–35. https://doi.org/10.1177/8755293020970982.

20202.2.3.03 EQSIMDOE_SC_ASCR

Kowalski, Karol, Raymond Bair, Nicholas P. Bauman, Jeffery S. Boschen, Eric J. Bylaska, Jeff Daily, Wibe A. de Jong, et al. 2021. “From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.” Chemical Reviews 121 (8): 4962–98. https://doi.org/10.1021/acs.chemrev.0c00998.

20212.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Carr, Hamish A., Oliver Rubel, Gunther H. Weber, and James P. Ahrens. 2022. “Optimization and Augmentation for Data Parallel Contour Trees.” IEEE Transactions on Visualization and Computer Graphics 28 (10): 3471–85. https://doi.org/10.1109/tvcg.2021.3064385.

20212.3.4.16 ALPINE

Hristov, Petar, Gunther H. Weber, Hamish A. Carr, Oliver Rubel, and James P. Ahrens. 2020. “Data Parallel Hypersweeps for in Situ Topological Analysis.” 2020 IEEE 10th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav51489.2020.00008.

20202.3.4.16 ALPINE

Dutta, Soumya, Terece L. Turton, and James P. Ahrens. 2021. “A Confidence-Guided Technique for Tracking Time-Varying Features.” Computing in Science & Engineering 23 (2): 84–92. https://doi.org/10.1109/mcse.2020.3047979.

20212.3.4.16 ALPINE

Wu, Hui, Randolph R. Settgast, Pengcheng Fu, and Joseph P. Morris. 2021. “An Enhanced Virtual Crack Closure Technique for Stress Intensity Factor Calculation along Arbitrary Crack Fronts and the Application in Hydraulic Fracturing Simulation.” Rock Mechanics and Rock Engineering 54 (6): 2943–57. https://doi.org/10.1007/s00603-021-02428-9.

20212.2.3.04 SubsurfaceDOE_SC_ASCR, DOE_SC_BES

Abdelfattah, Ahmad, Hartwig Anzt, Erik G Boman, Erin Carson, Terry Cojean, Jack Dongarra, Alyson Fox, et al. 2021. “A Survey of Numerical Linear Algebra Methods Utilizing Mixed-Precision Arithmetic.” The International Journal of High Performance Computing Applications 35 (4): 344–69. https://doi.org/10.1177/10943420211003313.

20212.3.3.01 xSDK

Bylaska, Eric J., Duo Song, Nicholas P. Bauman, Karol Kowalski, Daniel Claudino, and Travis S. Humble. 2021. “Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations.” Frontiers in Chemistry 9 (March). https://doi.org/10.3389/fchem.2021.603019.

20212.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Świrydowicz, Katarzyna, Julien Langou, Shreyas Ananthan, Ulrike Yang, and Stephen Thomas. 2020. “Low Synchronization Gram–Schmidt and Generalized Minimal Residual Algorithms.” Numerical Linear Algebra with Applications 28 (2). https://doi.org/10.1002/nla.2343.

20202.2.2.01 ExaWindDOE_SC_ASCR

Ricketson, L.F., and L. Chacón. 2020. “An Energy-Conserving and Asymptotic-Preserving Charged-Particle Orbit Implicit Time Integrator for Arbitrary Electromagnetic Fields.” Journal of Computational Physics 418 (October): 109639. https://doi.org/10.1016/j.jcp.2020.109639.

20202.2.6.04 COPA

Allen-Dumas, Melissa R., Amy N. Rose, Joshua R. New, Olufemi A. Omitaomu, Jiangye Yuan, Marcia L. Branstetter, Linda M. Sylvester, et al. 2020. “Impacts of the Morphology of New Neighborhoods on Microclimate and Building Energy.” Renewable and Sustainable Energy Reviews 133 (November): 110030. https://doi.org/10.1016/j.rser.2020.110030.

20202.2.4.01 Urban

Morgan, Hannah, Patrick Sanan, Matthew Knepley, and Richard Tran Mills. 2020. “Understanding Performance Variability in Standard and Pipelined Parallel Krylov Solvers.” The International Journal of High Performance Computing Applications 35 (1): 47–59. https://doi.org/10.1177/1094342020966835.

20202.3.3.06 PETSc/TAO

Yoon, Hong-Jun, Hilda B. Klasky, John P. Gounley, Mohammed Alawad, Shang Gao, Eric B. Durbin, Xiao-Cheng Wu, et al. 2020. “Accelerated Training of Bootstrap Aggregation-Based Deep Information Extraction Systems from Cancer Pathology Reports.” Journal of Biomedical Informatics 110 (October): 103564. https://doi.org/10.1016/j.jbi.2020.103564.

20202.2.4.03 CANDLEDOE_SC_ASCR

Zhao, Y., R. Lehe, A. Myers, M. Thévenet, A. Huebl, C. B. Schroeder, and J.-L. Vay. 2020. “Modeling of Emittance Growth Due to Coulomb Collisions in Plasma-Based Accelerators.” Physics of Plasmas 27 (11): 113105. https://doi.org/10.1063/5.0023776.

20202.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Mendez, Derek, Robert Bolotovsky, Asmit Bhowmick, Aaron S. Brewster, Jan Kern, Junko Yano, James M. Holton, and Nicholas K. Sauter. 2020. “Beyond Integration: Modeling Every Pixel to Obtain Better Structure Factors from Stills.” IUCrJ 7 (6): 1151–67. https://doi.org/10.1107/s2052252520013007.

20202.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

Marin, Oana, Emil Constantinescu, and Barry Smith. 2020. “A Scalable Matrix-Free Spectral Element Approach for Unsteady PDE Constrained Optimization Using PETSc/TAO.” Journal of Computational Science 47 (November): 101207. https://doi.org/10.1016/j.jocs.2020.101207.

20202.3.3.06 PETSc/TAO

Ricketson, L., A. Hakim, and J. Hittinger. 2021. “Consistent Coupling Algorithms for Coupled Core-Edge Simulations of Plasma Turbulence.” Physics of Plasmas 28 (1): 012301. https://doi.org/10.1063/5.0027670.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Lebrun-Grandié, D., A. Prokopenko, B. Turcksin, and S. R. Slattery. 2020. “ArborX.” ACM Transactions on Mathematical Software 47 (1): 1–15. https://doi.org/10.1145/3412558.

20212.3.3.14 ALExa

Moser, Robert D., Sigfried W. Haering, and Gopal R. Yalla. 2021. “Statistical Properties of Subgrid-Scale Turbulence Models.” Annual Review of Fluid Mechanics 53 (1): 255–86. https://doi.org/10.1146/annurev-fluid-060420-023735.

20212.2.2.01 ExaWindDOE_SC_ASCR

Silva, Sam J., Susannah M. Burrows, Mathew J. Evans, and Mahantesh Halappanavar. 2021. “A Graph Theoretical Intercomparison of Atmospheric Chemical Mechanisms.” Geophysical Research Letters 48 (1). https://doi.org/10.1029/2020gl090481.

20212.2.6.07 ExaGraph

Sharma, Ashesh, Shreyas Ananthan, Jayanarayanan Sitaraman, Stephen Thomas, and Michael A. Sprague. 2021. “Overset Meshes for Incompressible Flows: On Preserving Accuracy of Underlying Discretizations.” Journal of Computational Physics 428 (March): 109987. https://doi.org/10.1016/j.jcp.2020.109987.

20212.2.2.01 ExaWindDOE_SC_ASCR

Bachan, John, Dan Bonachea, Paul H. Hargrove, Steve Hofmeyr, Mathias Jacquelin, Amir Kamil, Brian van Straalen, and Scott B. Baden. 2017. “The UPC++ PGAS Library for Exascale Computing.” Proceedings of the Second Annual PGAS Applications Workshop, November. https://doi.org/10.1145/3144779.3169108.

20172.3.1.14 UPC++ & GASNet

Glaws, Andrew, Ryan King, and Michael Sprague. 2020. “Deep Learning for in Situ Data Compression of Large Turbulent Flow Simulations.” Physical Review Fluids 5 (11). https://doi.org/10.1103/physrevfluids.5.114602.

20202.2.2.01 ExaWindDOE_SC_ASCR

Romano, Paul K., Steven P. Hamilton, Ronald O. Rahaman, April Novak, Elia Merzari, Sterling M. Harper, Patrick C. Shriwise, and Thomas M. Evans. 2020. “A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations.” Nuclear Science and Engineering 195 (4): 391–411. https://doi.org/10.1080/00295639.2020.1830620.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

Cusentino, M.A., M.A. Wood, and A.P. Thompson. 2020. “Suppression of Helium Bubble Nucleation in Beryllium Exposed Tungsten Surfaces.” Nuclear Fusion 60 (12): 126018. https://doi.org/10.1088/1741-4326/abb148.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Park, J., J. H. Bin, S. Steinke, Q. Ji, S. S. Bulanov, M. Thévenet, J.-L. Vay, et al. 2020. “Target Normal Sheath Acceleration with a Large Laser Focal Diameter.” Physics of Plasmas 27 (12): 123104. https://doi.org/10.1063/5.0020609.

20202.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Cheng, Junyi, Julien Dominski, Yang Chen, Haotian Chen, Gabriele Merlo, Seung-Hoe Ku, Robert Hager, et al. 2020. “Spatial Core-Edge Coupling of the Particle-in-Cell Gyrokinetic Codes GEM and XGC.” Physics of Plasmas 27 (12): 122510. https://doi.org/10.1063/5.0026043.

20202.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Barca, Giuseppe M. J., Jorge L. Galvez-Vallejo, David L. Poole, Alistair P. Rendell, and Mark S. Gordon. 2020. “High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm.” Journal of Chemical Theory and Computation 16 (12): 7232–38. https://doi.org/10.1021/acs.jctc.0c00768.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Yang, Chao, Jiri Brabec, Libor Veis, David B. Williams-Young, and Karol Kowalski. 2020. “Solving Coupled Cluster Equations by the Newton Krylov Method.” Frontiers in Chemistry 8 (December). https://doi.org/10.3389/fchem.2020.590184.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Williams-Young, David B., Wibe A. de Jong, Hubertus J. J. van Dam, and Chao Yang. 2020. “On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.” Frontiers in Chemistry 8 (December). https://doi.org/10.3389/fchem.2020.581058.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Romano, Paul K., Colin J. Josey, Andrew E. Johnson, and Jingang Liang. 2021. “Depletion Capabilities in the OpenMC Monte Carlo Particle Transport Code.” Annals of Nuclear Energy 152 (March): 107989. https://doi.org/10.1016/j.anucene.2020.107989.

20212.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20212.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20212.2.3.03 EQSIMDOE_SC_ASCR

Merlo, G., S. Janhunen, F. Jenko, A. Bhattacharjee, C. S. Chang, J. Cheng, P. Davis, et al. 2021. “First Coupled GENE–XGC Microturbulence Simulations.” Physics of Plasmas 28 (1): 012303. https://doi.org/10.1063/5.0026661.

20212.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

Plimpton, Steven J., and Christopher Knight. 2021. “Rendezvous Algorithms for Large-Scale Modeling and Simulation.” Journal of Parallel and Distributed Computing 147 (January): 184–95. https://doi.org/10.1016/j.jpdc.2020.09.001.

20212.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

Sao, Piyush, Ramakrishnan Kannan, Xiaoye Sherry Li, and Richard Vuduc. 2019. “A Communication-Avoiding 3D Sparse Triangular Solver.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3330345.3330357.

20192.3.3.07 STRUMPACK/SuperLU

Azad, Ariful, Aydin Buluç, Xiaoye S. Li, Xinliang Wang, and Johannes Langguth. 2020. “A Distributed-Memory Algorithm for Computing a Heavy-Weight Perfect Matching on Bipartite Graphs.” SIAM Journal on Scientific Computing 42 (4): C143–68. https://doi.org/10.1137/18m1189348.

20202.3.3.07 STRUMPACK/SuperLU

Vay, J.-L., A. Huebl, A. Almgren, L. D. Amorim, J. Bell, L. Fedeli, L. Ge, et al. 2021. “Modeling of a Chain of Three Plasma Accelerator Stages with the WarpX Electromagnetic PIC Code on GPUs.” Physics of Plasmas 28 (2): 023105. https://doi.org/10.1063/5.0028512.

20212.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Binyahib, Roba, David Pugmire, Abhishek Yenpure, and Hank Childs. 2020. “Parallel Particle Advection Bake-Off for Scientific Visualization Workloads.” 2020 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster49012.2020.00048.

20202.3.4.16 ALPINE

Kawakami, Yuya, Nicole Marsaglia, Matthew Larsen, and Hank Childs. 2020. “Benchmarking In Situ Triggers Via Reconstruction Error.” ISAV’20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3426462.3426469.

20202.3.4.16 ALPINE

Liu, Yang, Mathias Jacquelin, Pieter Ghysels, and Xiaoye S. Li. 2018. “Highly Scalable Distributed-Memory Sparse Triangular Solution Algorithms.” 2018 Proceedings of the Seventh SIAM Workshop on Combinatorial Scientific Computing, January, 87–96. https://doi.org/10.1137/1.9781611975215.9.

20182.3.3.07 STRUMPACK/SuperLU

Vay, J.-L., A. Almgren, L. D. Amorim, J. Bell, L. Ge, K. Gott, D. P. Grote, et al. 2020. “Toward the Modeling of Chains of Plasma Accelerator Stages with WarpX.” Journal of Physics: Conference Series 1596 (1): 012059. https://doi.org/10.1088/1742-6596/1596/1/012059.

20202.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Williams-Young, David B., and Chao Yang. 2020. “Parallel Shift-Invert Spectrum Slicing on Distributed Architectures with GPU Accelerators.” 49th International Conference on Parallel Processing - ICPP, August. https://doi.org/10.1145/3404397.3404416.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Gordon, Mark S., and Theresa L. Windus. 2020. “Editorial: Modern Architectures and Their Impact on Electronic Structure Theory.” Chemical Reviews 120 (17): 9015–20. https://doi.org/10.1021/acs.chemrev.0c00700.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

Robinson, Michael C., and Michael A. Sprague. 2019. “Looking Forward: The Promise and Challenge of Exascale Computing.” Wind Energy Modeling and Simulation - Volume 1: Atmosphere and Plant, November, 1–22. https://doi.org/10.1049/pbpo125f_ch1.

20192.2.2.01 ExaWindDOE_SC_ASCR

Haering, Sigfried W., Myoungkyu Lee, and Robert D. Moser. 2019. “Resolution-Induced Anisotropy in Large-Eddy Simulations.” Physical Review Fluids 4 (11). https://doi.org/10.1103/physrevfluids.4.114605.

20192.2.2.01 ExaWindDOE_SC_ASCR

Świrydowicz, Kasia, Noel Chalmers, Ali Karakus, and Tim Warburton. 2019. “Acceleration of Tensor-Product Operations for High-Order Finite Element Methods.” The International Journal of High Performance Computing Applications 33 (4): 735–57. https://doi.org/10.1177/1094342018816368.

20192.2.2.01 ExaWindDOE_SC_ASCR

Domino, Stefan P., Philip Sakievich, and Matthew Barone. 2019. “An Assessment of Atypical Mesh Topologies for Low-Mach Large-Eddy Simulation.” Computers & Fluids 179 (January): 655–69. https://doi.org/10.1016/j.compfluid.2018.12.002.

20192.2.2.01 ExaWindDOE_SC_ASCR

Thomas, S. J., S. Ananthan, S. Yellapantula, J. J. Hu, M. Lawson, and M. A. Sprague. 2019. “A Comparison of Classical and Aggregation-Based Algebraic Multigrid Preconditioners for High-Fidelity Simulation of Wind Turbine Incompressible Flows.” SIAM Journal on Scientific Computing 41 (5): S196–219. https://doi.org/10.1137/18m1179018.

20192.2.2.01 ExaWindDOE_SC_ASCR

Domino, Stefan P. 2018. “Design-Order, Non-Conformal Low-Mach Fluid Algorithms Using a Hybrid CVFEM/DG Approach.” Journal of Computational Physics 359 (April): 331–51. https://doi.org/10.1016/j.jcp.2018.01.007.

20182.2.2.01 ExaWindDOE_SC_ASCR

Awan, Muaaz G., Jack Deslippe, Aydin Buluc, Oguz Selvitopi, Steven Hofmeyr, Leonid Oliker, and Katherine Yelick. 2020. “ADEPT: A Domain Independent Sequence Alignment Strategy for Gpu Architectures.” BMC Bioinformatics 21 (1). https://doi.org/10.1186/s12859-020-03720-1.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

Beckingsale, D. A., M. J. McFadden, J. P. S. Dahm, R. Pankajakshan, and R. D. Hornung. 2020. “Umpire: Application-Focused Management and Coordination of Complex Hierarchical Memory.” IBM Journal of Research and Development 64 (3/4): 00:1-00:10. https://doi.org/10.1147/jrd.2019.2954403.

20202.3.6.02 LLNL ATDM ST Projects

Zhang, Weiqun, Ann Almgren, Vince Beckner, John Bell, Johannes Blaschke, Cy Chan, Marcus Day, et al. 2019. “AMReX: A Framework for Block-Structured Adaptive Mesh Refinement.” Journal of Open Source Software 4 (37): 1370. https://doi.org/10.21105/joss.01370.

20192.2.6.05 AMREX

Gordon, Mark S., and Theresa L. Windus. 2020. “Editorial: Modern Architectures and Their Impact on Electronic Structure Theory.” Chemical Reviews 120 (17): 9015–20. https://doi.org/10.1021/acs.chemrev.0c00700.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Binyahib, Roba, David Pugmire, Boyana Norris, and Hank Childs. 2019. “A Lifeline-Based Approach for Work Requesting and Parallel Particle Advection.” 2019 IEEE 9th Symposium on Large Data Analysis and Visualization (LDAV), October. https://doi.org/10.1109/ldav48142.2019.8944355.

20192.3.4.16 ALPINE

Ellsworth, Daniel, Tapasya Patki, Martin Schulz, Barry Rountree, and Allen Malony. 2016. “A Unified Platform for Exploring Power Management Strategies.” 2016 4th International Workshop on Energy Efficient Supercomputing (E2SC), November. https://doi.org/10.1109/e2sc.2016.009.

20162.3.1.19 Argo

Ellsworth, Daniel, Tapasya Patki, Martin Schulz, Barry Rountree, and Allen Malony. 2017. “Simulating Power Scheduling at Scale.” Proceedings of the 5th International Workshop on Energy Efficient Supercomputing, November. https://doi.org/10.1145/3149412.3149414.

20172.3.1.19 Argo

Peng, Ivy, Marty McFadden, Eric Green, Keita Iwabuchi, Kai Wu, Dong Li, Roger Pearce, and Maya Gokhale. 2019. “UMap: Enabling Application-Driven Optimizations for Page Management.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), November. https://doi.org/10.1109/mchpc49590.2019.00017.

20192.3.1.19 Argo

Beckingsale, David A., Thomas RW Scogland, Jason Burmark, Rich Hornung, Holger Jones, William Killian, Adam J. Kunen, Olga Pearce, Peter Robinson, and Brian S. Ryujin. 2019. “RAJA: Portable Performance for Large-Scale Scientific Applications.” 2019 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), November. https://doi.org/10.1109/p3hpc49587.2019.00012.

20192.3.1.18 RAJA/Kokkos

Perarnau, Swann, Brice Videau, Nicolas Denoyelle, Florence Monna, Kamil Iskra, and Pete Beckman. 2019. “Explicit Data Layout Management for Autotuning Exploration on Complex Memory Topologies.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), November. https://doi.org/10.1109/mchpc49590.2019.00015.

20192.3.1.19 Argo

Ramesh, Srinivasan, Swann Perarnau, Sridutt Bhalachandra, Allen D. Malony, and Pete Beckman. 2019. “Understanding the Impact of Dynamic Power Capping on Application Progress.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00088.

20192.3.1.19 Argo

Benoit, Anne, Swann Perarnau, Loïc Pottier, and Yves Robert. 2018. “A Performance Model to Execute Workflows on High-Bandwidth-Memory Architectures.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225110.

20182.3.1.19 Argo

Dreher, Matthieu, Swann Perarnau, Tom Peterka, Kamil Iskra, and Pete Beckman. 2017. “In Situ Workflows at Exascale.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3144769.3144774.

20172.3.1.19 Argo

Bernholdt, David E., Swen Boehm, George Bosilca, Manjunath Gorentla Venkata, Ryan E. Grant, Thomas J. Naughton, III, Howard P. Pritchard, Martin Schulz, and Geoffroy R. Vallee. 2018. “A Survey of MPI Usage in the U.S. Exascale Computing Project,” June. https://doi.org/10.2172/1462877.

20182.3.1.17 OMPI-X

Sultana, Nawrin, Anthony Skjellum, Ignacio Laguna, Matthew Shane Farmer, Kathryn Mohror, and Murali Emani. 2018. “MPI Stages.” Proceedings of the 25th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3236367.3236385.

20182.3.1.17 OMPI-X

Dosanjh, Matthew G. F., S. Mahdieh Ghazimirsaeed, Ryan E. Grant, Whit Schonbein, Michael J. Levenhagen, Patrick G. Bridges, and Ahmad Afsahi. 2018. “The Case for Semi-Permanent Cache Occupancy.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225130.

20182.3.1.17 OMPI-X

Hjelm, Nathan, Matthew G. F. Dosanjh, Ryan E. Grant, Taylor Groves, Patrick Bridges, and Dorian Arnold. 2018. “Improving MPI Multi-Threaded RMA Communication Performance.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225114.

20182.3.1.17 OMPI-X

Herault, Thomas, Yves Robert, Aurelien Bouteiller, Dorian Arnold, Kurt Ferreira, George Bosilca, and Jack Dongarra. 2018. “Optimal Cooperative Checkpointing for Shared High-Performance Computing Platforms.” 2018 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw.2018.00127.

20182.3.1.17 OMPI-X

Schonbein, Whit, Matthew G. F. Dosanjh, Ryan E. Grant, and Patrick G. Bridges. 2018. “Measuring Multithreaded Message Matching Misery.” Lecture Notes in Computer Science, 480–91. https://doi.org/10.1007/978-3-319-96983-1_34.

20182.3.1.17 OMPI-X

Eberius, David, Thananon Patinyasakdikul, and George Bosilca. 2017. “Using Software-Based Performance Counters to Expose Low-Level Open MPI Performance Information.” Proceedings of the 24th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3127024.3127039.

20172.3.1.17 OMPI-X

Castain, Ralph H., David Solt, Joshua Hursey, and Aurelien Bouteiller. 2017. “PMIx.” Proceedings of the 24th European MPI Users’ Group Meeting, September. https://doi.org/10.1145/3127024.3127027.

20172.3.1.17 OMPI-X

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.

20192.3.3.13 CLOVER

Anzt, Hartwig, Jack Dongarra, Goran Flegar, Nicholas J. Higham, and Enrique S. Quintana-Ortí. 2018. “Adaptive Precision in Block-Jacobi Preconditioning for Iterative Sparse Linear System Solvers.” Concurrency and Computation: Practice and Experience 31 (6): e4460. https://doi.org/10.1002/cpe.4460.

20182.3.3.13 CLOVER

Sao, Piyush, Xiaoye Sherry Li, and Richard Vuduc. 2018. “A Communication-Avoiding 3D LU Factorization Algorithm for Sparse Matrices.” 2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2018.00100.

20182.3.3.07 STRUMPACK/SuperLU

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.

20202.3.3.07 STRUMPACK/SuperLU

Sao, Piyush, Xiaoye S. Li, and Richard Vuduc. 2019. “A Communication-Avoiding 3D Algorithm for Sparse LU Factorization on Heterogeneous Systems.” Journal of Parallel and Distributed Computing 131 (September): 218–34. https://doi.org/10.1016/j.jpdc.2019.03.004.

20192.3.3.07 STRUMPACK/SuperLU

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.

20192.2.3.03 EQSIMDOE_SC_ASCR

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.

20172.2.3.03 EQSIMDOE_SC_ASCR

Rodgers, Arthur J., Arben Pitarka, N. Anders Petersson, Björn Sjögreen, and David B. McCallen. 2018. “Broadband (0–4 Hz) Ground Motions for a Magnitude 7.0 Hayward Fault Earthquake With Three‐Dimensional Structure and Topography.” Geophysical Research Letters 45 (2): 739–47. https://doi.org/10.1002/2017gl076505.

20182.2.3.03 EQSIMDOE_SC_ASCR

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2020. “Matrix Multiplication on Batches of Small Matrices in Half and Half-Complex Precisions.” Journal of Parallel and Distributed Computing 145 (November): 188–201. https://doi.org/10.1016/j.jpdc.2020.07.001.

20202.2.6.06 CEED

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.

20182.2.6.07 ExaGraph

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.

20192.2.6.07 ExaGraph

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.

20192.2.6.07 ExaGraph

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.

20192.2.6.07 ExaGraph

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.

20202.2.6.07 ExaGraph

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Ricker, Richard E., Jarred C. Heigel, Brandon M. Lane, Ivan Zhirnov, and Lyle E. Levine. 2019. “Topographic Measurement of Individual Laser Tracks in Alloy 625 Bare Plates.” Integrating Materials and Manufacturing Innovation 8 (4): 521–36. https://doi.org/10.1007/s40192-019-00157-0.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Phan, Thien Q., Maria Strantza, Michael R. Hill, Thomas H. Gnaupel-Herold, Jarred Heigel, Christopher R. D’Elia, Adrian T. DeWald, et al. 2019. “Elastic Residual Strain and Stress Measurements and Corresponding Part Deflections of 3D Additive Manufacturing Builds of IN625 AM-Bench Artifacts Using Neutron Diffraction, Synchrotron X-Ray Diffraction, and Contour Method.” Integrating Materials and Manufacturing Innovation 8 (3): 318–34. https://doi.org/10.1007/s40192-019-00149-0.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Radhakrishnan, Balasubramaniam, Sarma B Gorti, John A Turner, Ranadip Acharya, John A Sharon, Alexander Staroselsky, and Tahany El-Wardany. 2018. “Phase Field Simulations of Microstructure Evolution in IN718 Using a Surrogate Ni–Fe–Nb Alloy during Laser Powder Bed Fusion.” Metals 9 (1): 14. https://doi.org/10.3390/met9010014.

20182.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Roehling, John D., Aurélien Perron, Jean-Luc Fattebert, Tomorr Haxhimali, Gabe Guss, Tian T. Li, David Bober, et al. 2018. “Rapid Solidification in Bulk Ti-Nb Alloys by Single-Track Laser Melting.” JOM 70 (8): 1589–97. https://doi.org/10.1007/s11837-018-2920-2.

20182.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

Francois, M.M., A. Sun, W.E. King, N.J. Henson, D. Tourret, C.A. Bronkhorst, N.N. Carlson, et al. 2017. “Modeling of Additive Manufacturing Processes for Metals: Challenges and Opportunities.” Current Opinion in Solid State and Materials Science 21 (4): 198–206. https://doi.org/10.1016/j.cossms.2016.12.001.

20172.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.6.01 Proxy Apps

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.

20182.3.1.17 OMPI-X

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.

20182.2.6.06 CEED

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.

20182.2.6.06 CEED

Raffenetti, Ken, Abdelhalim Amer, Lena Oden, Charles Archer, Wesley Bland, Hajime Fujita, Yanfei Guo, et al. 2017. “Why Is MPI so Slow?” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3126908.3126963.

20172.2.6.06 CEED

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.

20182.2.4.03 CANDLEDOE_SC_ASCR

Wozniak, Justin M., Philip E. Davis, Tong Shu, Jonathan Ozik, Nicholson Collier, Manish Parashar, Ian Foster, Thomas Brettin, and Rick Stevens. 2018. “Scaling Deep Learning for Cancer with Advanced Workflow Storage Integration.” 2018 IEEE/ACM Machine Learning in HPC Environments (MLHPC), November. https://doi.org/10.1109/mlhpc.2018.8638629.

20182.2.4.03 CANDLEDOE_SC_ASCR

Wozniak, Justin M., Rajeev Jain, Prasanna Balaprakash, Jonathan Ozik, Nicholson T. Collier, John Bauer, Fangfang Xia, et al. 2018. “CANDLE/Supervisor: A Workflow Framework for Machine Learning Applied to Cancer Research.” BMC Bioinformatics 19 (S18). https://doi.org/10.1186/s12859-018-2508-4.

20182.2.4.03 CANDLEDOE_SC_ASCR

Hamilton, Stephen, Randal Burns, Charles Meneveau, Perry Johnson, Peter Lindstrom, John Patchett, and Alexander S. Szalay. 2017. “Extreme Event Analysis in Next Generation Simulation Architectures.” High Performance Computing, 277–93. https://doi.org/10.1007/978-3-319-58667-0_15.

20172.3.4.16 ALPINE

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.

20192.3.3.13 CLOVER

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.

20192.3.3.13 CLOVER

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.

20192.3.3.13 CLOVER

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.

20202.3.4.16 ALPINE

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.

20172.3.4.16 ALPINE

Marsaglia, Nicole J., Shaomeng Li, Kristi Belcher, Matthew Larsen, and Hank Childs. 2019. “Dynamic I/O Budget Reallocation For In Situ Wavelet Compression.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20191104.

20192.3.4.16 ALPINE

Sane, Sudhanshu, Roxana Bujack, and Hank Childs. 2018. “Revisiting the Evaluation of In Situ Lagrangian Analysis.” Eurographics Symposium on Parallel Graphics and Visualization. The Eurographics Association. https://doi.org/10.2312/PGV.20181096.

20182.3.4.16 ALPINE

Sane, Sudhanshu, Hank Childs, and Roxana Bujack. 2019. “An Interpolation Scheme for VDVP Lagrangian Basis Flows.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20191115.

20192.3.4.16 ALPINE

Larsen, Matthew, Amy Woods, Nicole Marsaglia, Ayan Biswas, Soumya Dutta, Cyrus Harrison, and Hank Childs. 2018. “A Flexible System for in Situ Triggers.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3281464.3281468.

20182.3.4.16 ALPINE

Larsen, Matthew, James Ahrens, Utkarsh Ayachit, Eric Brugger, Hank Childs, Berk Geveci, and Cyrus Harrison. 2017. “The ALPINE In Situ Infrastructure.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3144769.3144778.

20172.3.4.16 ALPINE

Dutta, Soumya, Ayan Biswas, and James Ahrens. 2019. “Multivariate Pointwise Information-Driven Data Sampling and Visualization.” Entropy 21 (7): 699. https://doi.org/10.3390/e21070699.

20192.3.4.16 ALPINE

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.

20202.3.4.16 ALPINE

Biswas, Ayan, Soumya Dutta, Earl Lawrence, John Patchett, Jon C. Calhoun, and James Ahrens. 2021. “Probabilistic Data-Driven Sampling via Multi-Criteria Importance Analysis.” IEEE Transactions on Visualization and Computer Graphics 27 (12): 4439–54. https://doi.org/10.1109/tvcg.2020.3006426.

20202.3.4.16 ALPINE

Anderson, Robert, Julian Andrej, Andrew Barker, Jamie Bramwell, Jean-Sylvain Camier, Jakub Cerveny, Veselin Dobrev, et al. 2021. “MFEM: A Modular Finite Element Methods Library.” Computers & Mathematics with Applications 81 (January): 42–74. https://doi.org/10.1016/j.camwa.2020.06.009.

20202.2.6.06 CEED

Dobrev, Veselin, Patrick Knupp, Tzanio Kolev, Ketan Mittal, and Vladimir Tomov. 2019. “The Target-Matrix Optimization Paradigm for High-Order Meshes.” SIAM Journal on Scientific Computing 41 (1): B50–68. https://doi.org/10.1137/18m1167206.

20192.2.6.06 CEED

Chalmers, Noel, and T. Warburton. 2018. “Low-Order Preconditioning of High-Order Triangular Finite Elements.” SIAM Journal on Scientific Computing 40 (6): A4040–59. https://doi.org/10.1137/17m1149444.

20182.2.6.06 CEED

Świrydowicz, Kasia, Noel Chalmers, Ali Karakus, and Tim Warburton. 2019. “Acceleration of Tensor-Product Operations for High-Order Finite Element Methods.” The International Journal of High Performance Computing Applications 33 (4): 735–57. https://doi.org/10.1177/1094342018816368.

20192.2.6.06 CEED

Karakus, A., N. Chalmers, J.S. Hesthaven, and T. Warburton. 2019. “Discontinuous Galerkin Discretizations of the Boltzmann–BGK Equations for Nearly Incompressible Flows: Semi-Analytic Time Stepping and Absorbing Boundary Layers.” Journal of Computational Physics 390 (August): 175–202. https://doi.org/10.1016/j.jcp.2019.03.050.

20192.2.6.06 CEED

Karakus, A., N. Chalmers, K. Świrydowicz, and T. Warburton. 2019. “A GPU Accelerated Discontinuous Galerkin Incompressible Flow Solver.” Journal of Computational Physics 390 (August): 380–404. https://doi.org/10.1016/j.jcp.2019.04.010.

20192.2.6.06 CEED

Azad, Ariful, Aydin Buluç, Xiaoye S. Li, Xinliang Wang, and Johannes Langguth. 2020. “A Distributed-Memory Algorithm for Computing a Heavy-Weight Perfect Matching on Bipartite Graphs.” SIAM Journal on Scientific Computing 42 (4): C143–68. https://doi.org/10.1137/18m1189348.

20202.2.6.07 ExaGraph

Jung, Chulwoo, and Yong-Chull Jang. 2019. “Split Grid and Block Lanczos Algorithm for Efficient Eigenpair Generation.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0309.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Zhao, Yidi. 2019. “Numerical Implementation of Gauge-Fixed FourierAcceleration.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0026.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Christ, Norman H., and Evan W. Wickenden. 2019. “Fourier Acceleration, the HMC Algorithm and Renormalizability.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0025.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Clark, M. A., Chulwoo Jung, and Christoph Lehner. 2018. “Multi-Grid Lanczos.” Edited by M. Della Morte, P. Fritzsch, E. Gámiz Sánchez, and C. Pena Ruano. EPJ Web of Conferences 175: 14023. https://doi.org/10.1051/epjconf/201817514023.

20182.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20182.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Jin, Xiao-yong, and James C. Osborn. 2019. “Ensemble Quasi-Newton HMC.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0027.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20202.3.3.13 CLOVER

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.

20192.3.2.11 SOLLVE

DeFreez, Daniel, Antara Bhowmick, Ignacio Laguna, and Cindy Rubio-González. 2020. “Detecting and Reproducing Error-Code Propagation Bugs in MPI Implementations.” Proceedings of the 25th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3332466.3374515.

20202.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

Losada, Nuria, Aurelien Bouteiller, and George Bosilca. 2019. “Asynchronous Receiver-Driven Replay for Local Rollback of MPI Applications.” 2019 IEEE/ACM 9th Workshop on Fault Tolerance for HPC at EXtreme Scale (FTXS), November. https://doi.org/10.1109/ftxs49593.2019.00006.

20192.3.1.17 OMPI-X

Georgakoudis, Giorgis, Luanzheng Guo, and Ignacio Laguna. 2020. “Reinit$$^{++}$$: Evaluating the Performance of Global-Restart Recovery Methods for MPI Fault Tolerance.” High Performance Computing, 536–54. https://doi.org/10.1007/978-3-030-50743-5_27.

20202.3.1.17 OMPI-X

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.

20202.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

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.

20192.3.1.17 OMPI-X

Dosanjh, Matthew G. F., Whit Schonbein, Ryan E. Grant, Patrick G. Bridges, S. Mahdieh Gazimirsaeed, and Ahmad Afsahi. 2019. “Fuzzy Matching: Hardware Accelerated MPI Communication Middleware.” 2019 19th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID), May. https://doi.org/10.1109/ccgrid.2019.00035.

20192.3.1.17 OMPI-X

Sultana, Nawrin, Martin Rüfenacht, Anthony Skjellum, Ignacio Laguna, and Kathryn Mohror. 2019. “Failure Recovery for Bulk Synchronous Applications with MPI Stages.” Parallel Computing 84 (May): 1–14. https://doi.org/10.1016/j.parco.2019.02.007.

20192.3.1.17 OMPI-X

Hermanns, Marc-André, Nathan T. Hjelm, Michael Knobloch, Kathryn Mohror, and Martin Schulz. 2019. “The MPI_T Events Interface: An Early Evaluation and Overview of the Interface.” Parallel Computing 85 (July): 119–30. https://doi.org/10.1016/j.parco.2018.12.006.

20192.3.1.17 OMPI-X

Grant, Ryan E., Matthew G. F. Dosanjh, Michael J. Levenhagen, Ron Brightwell, and Anthony Skjellum. 2019. “Finepoints: Partitioned Multithreaded MPI Communication.” High Performance Computing, 330–50. https://doi.org/10.1007/978-3-030-20656-7_17.

20192.3.1.17 OMPI-X

Kilic, Ozgur O., Nathan R. Tallent, and Ryan D. Friese. 2019. “Rapidly Measuring Loop Footprints.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891025.

20192.4.2 Hardware Evaluation

Zingale, M., K. Eiden, Y. Cavecchi, A. Harpole, J. B. Bell, M. Chang, I. Hawke, et al. 2019. “Toward Resolved Simulations of Burning Fronts in Thermonuclear X-Ray Bursts.” Journal of Physics: Conference Series 1225 (1): 012005. https://doi.org/10.1088/1742-6596/1225/1/012005.

20192.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

Pajkos, Michael A., Sean M. Couch, Kuo-Chuan Pan, and Evan P. O’Connor. 2019. “Features of Accretion-Phase Gravitational-Wave Emission from Two-Dimensional Rotating Core-Collapse Supernovae.” The Astrophysical Journal 878 (1): 13. https://doi.org/10.3847/1538-4357/ab1de2.

20192.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20192.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20192.4.2 Hardware Evaluation

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.

20202.4.2 Hardware Evaluation

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.

20192.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

Woss, Antoni J., David J. Wilson, and Jozef J. Dudek. 2020. “Efficient Solution of the Multichannel Lüscher Determinant Condition through Eigenvalue Decomposition.” Physical Review D 101 (11). https://doi.org/10.1103/physrevd.101.114505.

20202.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Wilson, David J., Raúl A. Briceño, Jozef J. Dudek, Robert G. Edwards, and Christopher E. Thomas. 2019. “Quark-Mass Dependence of Elastic πK Scattering from QCD.” Physical Review Letters 123 (4)">http://Www.W3.Org/1998/Math/MathML" Display="inline">πK Scattering from QCD.” Physical Review Letters 123 (4). https://doi.org/10.1103/physrevlett.123.042002.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Woss, Antoni J., Christopher E. Thomas, Jozef J. Dudek, Robert G. Edwards, and David J. Wilson. 2019. “b1 Resonance in Coupled πω, πϕ Scattering from Lattice QCD.” Physical Review D 100 (5)">http://Www.W3.Org/1998/Math/MathML" Display="inline">πϕ Scattering from Lattice QCD.” Physical Review D 100 (5). https://doi.org/10.1103/physrevd.100.054506.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

Butko, Anastasiia, Albert Chen, David Donofrio, Farzad Fatollahi-Fard, and John Shalf. 2018. “Open2C.” Proceedings of the International Symposium on Memory Systems, October. https://doi.org/10.1145/3240302.3270314.

20182.4.2 Hardware Evaluation

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.

20202.2.6.06 CEED

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.

20192.2.6.08 ExaLearn

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.

20202.3.1.09 ParSEC

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.

20202.3.1.09 ParSEC

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.

20192.3.1.09 ParSEC

Kruse, Michael, and Hal Finkel. 2018. “A Proposal for Loop-Transformation Pragmas.” Lecture Notes in Computer Science, 37–52. https://doi.org/10.1007/978-3-319-98521-3_3.

20182.3.2.11 SOLLVE

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.

20182.3.2.11 SOLLVE

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.

20192.4.2 Hardware Evaluation

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.

20182.4.2 Hardware Evaluation

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.

20192.4.2 Hardware Evaluation

Wu, Kai, Ivy Peng, Jie Ren, and Dong Li. 2020. “Ribbon.” Proceedings of the ACM International Conference on Parallel Architectures and Compilation Techniques, September. https://doi.org/10.1145/3410463.3414625.

20202.4.2 Hardware Evaluation

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.

20202.4.2 Hardware Evaluation

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.

20202.4.2 Hardware Evaluation

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.

20192.3.2.11 SOLLVE

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.

20182.3.2.11 SOLLVE

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.

20172.3.2.11 SOLLVE

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.

20182.3.2.11 SOLLVE

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.

20192.3.2.11 SOLLVE

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.

20182.3.2.11 SOLLVE

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.

20192.3.2.11 SOLLVE

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20192.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20182.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

Vay, J.-L., A. Almgren, J. Bell, R. Lehe, A. Myers, J. Park, O. Shapoval, et al. 2018. “Toward Plasma Wakefield Simulations at Exascale.” 2018 IEEE Advanced Accelerator Concepts Workshop (AAC), August. https://doi.org/10.1109/aac.2018.8659392.

20182.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20202.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20182.3.1.14 UPC++ & GASNet

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.

2019None

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.

20202.3.3.13 CLOVER

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.

20202.3.3.13 CLOVER

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.

20192.3.2.11 SOLLVE

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.

20192.3.2.11 SOLLVE

Doerfert, Johannes, Jose Manuel Monsalve Diaz, and Hal Finkel. 2019. “The TRegion Interface and Compiler Optimizations for OpenMP Target Regions.” Lecture Notes in Computer Science, 153–67. https://doi.org/10.1007/978-3-030-28596-8_11.

20192.3.2.11 SOLLVE

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.

20192.3.2.11 SOLLVE

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.

20192.3.2.11 SOLLVE

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.

20192.3.4.14 VeloC-SZ

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.

20192.3.4.14 VeloC-SZ

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.

20192.3.4.14 VeloC-SZ

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.

20202.3.4.14 VeloC-SZ

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.

20202.3.4.10 DataLib

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.

20192.3.1.08 Legion

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.

20192.3.4.16 ALPINE

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.

20192.2.6.03 CODAR

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.

20202.3.4.15 ExaIO

Ross, Robert B., George Amvrosiadis, Philip Carns, Charles D. Cranor, Matthieu Dorier, Kevin Harms, Greg Ganger, et al. 2020. “Mochi: Composing Data Services for High-Performance Computing Environments.” Journal of Computer Science and Technology 35 (1): 121–44. https://doi.org/10.1007/s11390-020-9802-0.

20202.3.4.10 DataLib

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.

20182.2.4.01 Urban

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.

20202.2.6.02 Application Assessment

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.

20202.2 Application Development

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.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2 Application Development

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20202.2.4.03 CANDLEDOE_SC_ASCR

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.

20202.3.1.17 OMPI-X

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.

20202.2.3.01 ExaStarDOE_SC_ASCR, DOE_SC_NP

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.

20202.3.2.11 SOLLVE

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.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.6.07 ExaGraph

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.

20202.3.3 Mathematical Libraries

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.

20192.2.6.07 ExaGraph

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.

20192.2.6.07 ExaGraph

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.

20202.2.6.07 ExaGraph

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.

20182.2.6.06 CEED

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.

20192.2.6.06 CEED

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.

20192.2.6.06 CEED

Otero, Evelyn, Jing Gong, Misun Min, Paul Fischer, Philipp Schlatter, and Erwin Laure. 2019. “OpenACC Acceleration for the PNPN-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">PNPN-2 Algorithm in Nek5000.” Journal of Parallel and Distributed Computing 132 (October): 69–78. https://doi.org/10.1016/j.jpdc.2019.05.010.

20192.2.6.06 CEED

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.

20192.2.6.06 CEED

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.

20192.2.6.06 CEED

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.

20192.2.6.06 CEED

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.

20202.2.6.06 CEED

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.

20202.2.6.06 CEED

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.

20202.2.6.06 CEED

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.

20192.2.6.03 CODAR

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.

20192.2.6.01 Proxy Apps

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.

20192.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20202.2.4.02 ExaSGDDOE_SC_ASCR

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.

20192.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20202.2.2.05 WDMAppDOE_SC_ASCR, DOE_SC_FES

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

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20202.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.06 QMCPACKDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.04 EXAALTDOE_SC_ASCR, DOE_SC_FES, DOE_SC_BES

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.

20192.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20202.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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.

20192.3.4.16 ALPINE

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.

20192.3.4.16 ALPINE

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.

20192.3.4.16 ALPINE

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.

20202.3.4.16 ALPINE

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.

20202.3.3.13 CLOVER

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.

20202.3.3.07 STRUMPACK/SuperLU

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.

20202.3.3.07 STRUMPACK/SuperLU

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.

20192.3.3.06 PETSc/TAO

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.

20192.3.3.01 xSDK

Shende, Sameer, Nicholas Chaimov, Allen Malony, and Neena Imam. 2019. “Multi-Level Performance Instrumentation for Kokkos Applications Using TAU.” 2019 IEEE/ACM International Workshop on Programming and Performance Visualization Tools (ProTools), November. https://doi.org/10.1109/protools49597.2019.00012.

20192.3.2.10 PROTEAS-TUNE

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.

20202.3.2.08 HPCToolkit

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.

20192.3.2.06 EXA-PAPI

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.

20192.3.1.19 Argo

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.

20192.3.1.14 UPC++ & GASNet

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.

20192.3.1.09 ParSEC

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.

20192.3.1.09 ParSEC

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.

20192.3.1.08 Legion

Slaughter, Elliott, and Alex Aiken. 2019. “Pygion: Flexible, Scalable Task-Based Parallelism with Python.” 2019 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm49560.2019.00011.

20192.3.1.08 Legion

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.

20192.3.1.08 Legion

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.

20202.2.6.06 CEED

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.

20202.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20202.3.3.13 CLOVER

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.

20202.2.4.05 ExaFELDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20202.3.3.07 STRUMPACK/SuperLU

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.

20202.3.4.14 VeloC-SZ

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.

20202.3.4.14 VeloC-SZ

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.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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.

20172.4.2 Hardware Evaluation

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.

20192.3.4.14 VeloC-SZ

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.

20172.2.3.02 ExaSkyDOE_SC_ASCR, DOE_SC_HEP

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.

20182.3.4.14 VeloC-SZ

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.

20182.3.4.16 ALPINE

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.

20172.3.4.14 VeloC-SZ

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.

20192.2.6.03 CODAR

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.

20192.3.4.14 VeloC-SZ

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.

20202.2.3.05 E3SM-MMFDOE_SC_ASCR, DOE_SC_BER

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.

20192.2.4.03 CANDLEDOE_SC_ASCR

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.

20192.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20192.2.5 National Security Applications

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.

20192.2.1.05 ExaAMDOE_SC_ASCR, DOE_SC_BES

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.

20172.3.4.14 VeloC-SZ

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.

20192.3.2.11 SOLLVE

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20182.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20192.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20192.2.3.03 EQSIMDOE_SC_ASCR

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.

20182.3.4.14 VeloC-SZ

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.

20182.3.4.14 VeloC-SZ

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.

20192.4.2 Hardware Evaluation

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.

20192.3.4.14 VeloC-SZ

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.

20182.3.4.14 VeloC-SZ

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.

20182.2.6.07 ExaGraph

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.

20182.3.4.14 VeloC-SZ

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.

20182.2.6.07 ExaGraph

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.

20182.2.6.01 Proxy Apps

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.

20182.2.6.01 Proxy Apps

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.

20192.2.6.03 CODAR

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.

20202.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.2.2.03 ExaSMRDOE_SC_ASCR, DOE_SC_HEP, DOE_SC_FES

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.

20192.3.4.14 VeloC-SZ

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.

20182.2.5 National Security Applications

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.

20182.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20182.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

Mutlu, Erdal, Ajay Panyala, and Sriram Krishnamoorthy. 2018. “HPC Software Verification in Action: A Case Study with Tensor Transposition.” 2018 IEEE/ACM 2nd International Workshop on Software Correctness for HPC Applications (Correctness), November. https://doi.org/10.1109/correctness.2018.00006.

20182.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Messina, Paul. 2017. “The Exascale Computing Project.” Computing in Science & Engineering 19 (3): 63–67. https://doi.org/10.1109/mcse.2017.57.

20172 Exascale Computing Project

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.

20182.2.1.02 NWChemExDOE_SC_ASCR, DOE_SC_BES, DOE_SC_BER

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.

20192.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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.

20182.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

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.

20202.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

Bross, David H., Ahren W. Jasper, Branko Ruscic, and Albert F. Wagner. 2019. “Toward Accurate High Temperature Anharmonic Partition Functions.” Proceedings of the Combustion Institute 37 (1): 315–22. https://doi.org/10.1016/j.proci.2018.05.028.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES

T. Henry de Frahan, Marc, Shashank Yellapantula, Ryan King, Marc S. Day, and Ray W. Grout. 2019. “Deep Learning for Presumed Probability Density Function Models.” Combustion and Flame 208 (October): 436–50. https://doi.org/10.1016/j.combustflame.2019.07.015.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES
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