Publications

Publication

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 8). doi:10.1145/3404397.3404416. http://dx.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) (September 9): 9015–9020. doi:10.1021/acs.chemrev.0c00700. http://dx.doi.org/10.1021/acs.chemrev.0c00700.

20202.2.1.03 GAMESSDOE_SC_ASCR, DOE_SC_BES

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) (September 15). doi:10.1186/s12859-020-03720-1. http://dx.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) (May 1): 00:1–00:10. doi:10.1147/jrd.2019.2954403. http://dx.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) (May 12): 1370. doi:10.21105/joss.01370. http://dx.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) (September 9): 9015–9020. doi:10.1021/acs.chemrev.0c00700. http://dx.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). doi:10.1109/ldav48142.2019.8944355. http://dx.doi.org/10.1109/LDAV48142.2019.8944355.

20192.3.4.16 ALPINE

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). doi:10.1109/mchpc49590.2019.00017. http://dx.doi.org/10.1109/MCHPC49590.2019.00017.

20192.3.1.19 Argo

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). doi:10.1109/mchpc49590.2019.00015. http://dx.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). doi:10.1109/ipdps.2019.00088. http://dx.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 13). doi:10.1145/3225058.3225110. http://dx.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 - ISAV’17. doi:10.1145/3144769.3144774. http://dx.doi.org/10.1145/3144769.3144774.

20172.3.1.19 Argo

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 on - EuroMPI ’17. doi:10.1145/3127024.3127039. http://dx.doi.org/10.1145/3127024.3127039.

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 12). doi:10.1145/3324989.3325719. http://dx.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) (March 12): e4460. Portico. doi:10.1002/cpe.4460. http://dx.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). doi:10.1109/ipdps.2018.00100. http://dx.doi.org/10.1109/IPDPS.2018.00100.

20182.3.3.07 STRUMPACK/FFTX

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) (January 20): 20190053. doi:10.1098/rsta.2019.0053. http://dx.doi.org/10.1098/rsta.2019.0053.

20202.3.3.07 STRUMPACK/FFTX

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): 218–234. doi:10.1016/j.jpdc.2019.03.004. http://dx.doi.org/10.1016/j.jpdc.2019.03.004.

20192.3.3.07 STRUMPACK/FFTX

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) (May 14): 1265–1281. doi:10.1785/0120180290. http://dx.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. doi:10.1109/mcse.2017.3421558. http://dx.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) (January 28): 739–747. Portico. doi:10.1002/2017gl076505. http://dx.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-CPU Material Point Method.” ACM Transactions on Graphics 39 (4) (July 8). doi:10.1145/3386569.3392442. http://dx.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. doi:10.1016/j.jpdc.2020.07.001. http://dx.doi.org/10.1016/j.jpdc.2020.07.001.

20202.2.6.06 CEED

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) (September 27). Portico. doi:10.1002/cpe.4851. http://dx.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). doi:10.1109/hpec.2018.8547576. http://dx.doi.org/10.1109/HPEC.2018.8547576.

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 12). doi:10.1145/3126908.3126963. http://dx.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). doi:10.1109/espm2.2018.00011. http://dx.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). doi:10.1109/mlhpc.2018.8638629. http://dx.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) (December). doi:10.1186/s12859-018-2508-4. http://dx.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: 277–293. doi:10.1007/978-3-319-58667-0_15. http://dx.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 26). doi:10.1145/3330345.3330356. http://dx.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. doi:10.1007/978-3-030-29400-7_35. http://dx.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 17). doi:10.1145/3295500.3356223. http://dx.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 - ISAV’17. doi:10.1145/3144769.3144773. http://dx.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 - ISAV ’18. doi:10.1145/3281464.3281468. http://dx.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 - ISAV’17. doi:10.1145/3144769.3144778. http://dx.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) (July 16): 699. doi:10.3390/e21070699. http://dx.doi.org/10.3390/e21070699.

20192.3.4.16 ALPINE

Biswas, Ayan, James Ahrens, Soumya Dutta, Jordan Musser, Ann Almgren, and Terece Louise Turton. 2020. “Feature Analysis, Tracking, and Data Reduction: An Application to Multiphase Reactor Simulation MFiX-Exa for In-Situ Use Case.” Computing in Science & Engineering: 1–1. doi:10.1109/mcse.2020.3016927. http://dx.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. 2020. “Probabilistic Data-Driven Sampling via Multi-Criteria Importance Analysis.” IEEE Transactions on Visualization and Computer Graphics: 1–1. doi:10.1109/tvcg.2020.3006426. http://dx.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. 2020. “MFEM: A Modular Finite Element Methods Library.” Computers & Mathematics with Applications (July). doi:10.1016/j.camwa.2020.06.009. http://dx.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) (January): B50–B68. doi:10.1137/18m1167206. http://dx.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) (January): A4040–A4059. doi:10.1137/17m1149444. http://dx.doi.org/10.1137/17M1149444.

20182.2.6.06 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. doi:10.1016/j.jcp.2019.03.050. http://dx.doi.org/10.1016/j.jcp.2019.03.050.

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) (January): C143–C168. doi:10.1137/18m1189348. http://dx.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 29). doi:10.22323/1.334.0309. http://dx.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 29). doi:10.22323/1.334.0026. http://dx.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 29). doi:10.22323/1.334.0025. http://dx.doi.org/10.22323/1.334.0025.

20192.2.1.01 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. doi:10.1051/epjconf/201817509006. http://dx.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 29). doi:10.22323/1.334.0027. http://dx.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: 262–275. doi:10.1007/978-3-030-50371-0_19. http://dx.doi.org/10.1007/978-3-030-50371-0_19.

20202.3.3.13 CLOVER

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). doi:10.1109/ftxs49593.2019.00006. http://dx.doi.org/10.1109/FTXS49593.2019.00006.

20192.3.1.17 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 on - EuroMPI ’19. doi:10.1145/3343211.3343225. http://dx.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). doi:10.1109/exampi49596.2019.00011. http://dx.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). doi:10.1109/exampi49596.2019.00007. http://dx.doi.org/10.1109/ExaMPI49596.2019.00007.

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). doi:10.1109/cluster.2019.8891015. http://dx.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). doi:10.1109/cluster.2019.8891002. http://dx.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). doi:10.1109/ccgrid.2019.00035. http://dx.doi.org/10.1109/CCGRID.2019.00035.

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): 119–130. doi:10.1016/j.parco.2018.12.006. http://dx.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: 330–350. doi:10.1007/978-3-030-20656-7_17. http://dx.doi.org/10.1007/978-3-030-20656-7_17.

20192.3.1.17 OMPI-X

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 (May): 012005. doi:10.1088/1742-6596/1225/1/012005. http://dx.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) (May 5). doi:10.1103/physrevd.101.104007. http://dx.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) (June 7): 13. doi:10.3847/1538-4357/ab1de2. http://dx.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 - ARRAY 2019. doi:10.1145/3315454.3329958. http://dx.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. doi:10.1007/978-3-030-20656-7_1. http://dx.doi.org/10.1007/978-3-030-20656-7_1.

20192.4.2 Hardware Evaluation

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) (June 17). doi:10.1103/physrevd.101.114505. http://dx.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) (July 24). doi:10.1103/physrevlett.123.042002. http://dx.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) (September 18). doi:10.1103/physrevd.100.054506. http://dx.doi.org/10.1103/PhysRevD.100.054506.

20192.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, DOE_SC_HEP

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. doi:10.25080/majora-342d178e-00c. http://dx.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). doi:10.1109/bigdata47090.2019.9005968. http://dx.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). doi:10.1109/ipdpsw50202.2020.00127. http://dx.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 29). doi:10.1145/3394277.3401846. http://dx.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). doi:10.1109/scala49573.2019.00010. http://dx.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. doi:10.1007/978-3-319-98521-3_3. http://dx.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: 113–127. doi:10.1007/978-3-319-98521-3_8. http://dx.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). doi:10.1109/mchpc49590.2019.00014. http://dx.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). doi:10.1109/sc.2018.00036. http://dx.doi.org/10.1109/SC.2018.00036.

20182.4.2 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 30). doi:10.1145/3410463.3414625. http://dx.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 22). doi:10.1145/3368826.3377922. http://dx.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). doi:10.1109/ipdps47924.2020.00098. http://dx.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 5). doi:10.1145/3337821.3337913. http://dx.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. doi:10.1007/978-3-319-98521-3_6. http://dx.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 - LLVM-HPC’17. doi:10.1145/3148173.3148184. http://dx.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. doi:10.1007/978-3-319-98521-3_5. http://dx.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: 112–119. doi:10.1007/978-3-030-34627-0_9. http://dx.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 - ICPP ’18. doi:10.1145/3229710.3229717. http://dx.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 17). doi:10.1145/3295500.3356141. http://dx.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) (March 21): 115107. doi:10.1063/1.5141761. http://dx.doi.org/10.1063/1.5141761.

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 10): 1–28. doi:10.1007/978-3-319-42913-7_25-2. http://dx.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) (August 10): 065015. doi:10.1088/1361-651x/aba511. http://dx.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: 457–463. doi:10.1007/978-3-030-50436-6_33. http://dx.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) (August 7): 054116. doi:10.1063/5.0014448. http://dx.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): 476–479. doi:10.1016/j.nima.2018.01.035. http://dx.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). doi:10.1109/aac.2018.8659392. http://dx.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) (July 7). doi:10.1103/physreve.102.013202. http://dx.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). doi:10.1109/paw-atm.2018.00008. http://dx.doi.org/10.1109/PAW-ATM.2018.00008.

20182.3.1.14 UPC++ & GASNet

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 on ZZZ - PAW17. doi:10.1145/3144779.3169108. http://dx.doi.org/10.1145/3144779.3169108.

2017None

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) (January 20): 20190053. doi:10.1098/rsta.2019.0053. http://dx.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: 309–327. doi:10.1007/978-3-030-50743-5_16. http://dx.doi.org/10.1007/978-3-030-50743-5_16.

20202.3.3.13 CLOVER

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. doi:10.1007/978-3-030-28596-8_4. http://dx.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: 153–167. doi:10.1007/978-3-030-28596-8_11. http://dx.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: 125–139. doi:10.1007/978-3-030-28596-8_9. http://dx.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). doi:10.1109/pact.2019.00011. http://dx.doi.org/10.1109/PACT.2019.00011.

20192.3.2.11 SOLLVE

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. doi:10.1007/978-3-030-29400-7_4. http://dx.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). doi:10.1109/ipdps.2019.00099. http://dx.doi.org/10.1109/IPDPS.2019.00099.

20192.3.4.14 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) (November 1): 2682–2695. doi:10.1109/tpds.2020.3000458. http://dx.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 27). doi:10.1145/3341301.3359630. http://dx.doi.org/10.1145/3341301.3359630.

20192.3.1.08 Legion

Childs, Hank, Janine Bennett, Christoph Garth, Bernd Hentschel, and Theresa-Marie Rhyne. 2019. “In Situ Visualization for Computational Science.” IEEE Computer Graphics and Applications 39 (6) (November 1): 76–85. doi:10.1109/mcg.2019.2936674. http://dx.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): 576–589. doi:10.1016/j.future.2019.05.020. http://dx.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) (January): 145–160. doi:10.1007/s11390-020-9822-9. http://dx.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) (January): 121–144. doi:10.1007/s11390-020-9802-0. http://dx.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) (November 7): 182–194. doi:10.1080/19401493.2018.1534275. http://dx.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) (January 1): 94–110. doi:10.1109/tpds.2019.2928289. http://dx.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) (January 14): 465–477. doi:10.1177/1094342019899451. http://dx.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) (February 13): 1009–1015. doi:10.1080/00295639.2020.1719765. http://dx.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) (January 20): 20190394. doi:10.1098/rsta.2019.0394. http://dx.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) (January 20): 20190056. doi:10.1098/rsta.2019.0056. http://dx.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) (March 16): 1263–1281. doi:10.1007/s11663-020-01808-w. http://dx.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) (March 31): 124101. doi:10.1063/1.5143190. http://dx.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. doi:10.1016/j.jpdc.2019.07.008. http://dx.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): 467–481. doi:10.1016/j.future.2020.01.026. http://dx.doi.org/10.1016/j.future.2020.01.026.

20202.3.1.17 OMPI-X

Del Rio, Adrian, 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) (May 27). doi:10.1103/physrevlett.124.211301. http://dx.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) (August 1): 1859–1877. doi:10.1109/tpds.2020.2976057. http://dx.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. doi:10.1016/j.anucene.2020.107388. http://dx.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. doi:10.1016/j.jpdc.2020.04.009. http://dx.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) (January 20): 20190053. doi:10.1098/rsta.2019.0053. http://dx.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) (January): A566–A591. doi:10.1137/17m1140029. http://dx.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. doi:10.1017/s0962492919000035. http://dx.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). doi:10.1109/ipdpsw50202.2020.00082. http://dx.doi.org/10.1109/IPDPSW50202.2020.00082.

20202.2.6.07 ExaGraph

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. doi:10.1007/978-3-030-13992-6_16. http://dx.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). doi:10.1109/ipdps.2019.00022. http://dx.doi.org/10.1109/IPDPS.2019.00022.

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) (June 25): 1308–1324. doi:10.1080/00295450.2020.1748557. http://dx.doi.org/10.1080/00295450.2020.1748557.

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. doi:10.1016/j.compfluid.2020.104602. http://dx.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: 153–167. doi:10.1007/978-3-030-22734-0_12. http://dx.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). doi:10.1109/pmbs49563.2019.00016. http://dx.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 5). doi:10.1145/3337821.3337919. http://dx.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. doi:10.1137/1.9781611976137.5. http://dx.doi.org/10.1137/1.9781611976137.5.

20202.2.4.04 ExaBiomeDOE_SC_ASCR, DOE_SC_BER

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). doi:10.1109/isgt45199.2020.9087776. http://dx.doi.org/10.1109/ISGT45199.2020.9087776.

20202.2.4.02 ExaSGDDOE_SC_ASCR

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) (May 14): 1265–1281. doi:10.1785/0120180290. http://dx.doi.org/10.1785/0120180290.

20192.2.3.03 EQSIMDOE_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) (July 15). doi:10.1103/physrevaccelbeams.22.071301. http://dx.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) (March): 032505. doi:10.1063/1.5141337. http://dx.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) (June): 065107. doi:10.1063/1.5086695. http://dx.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 23). doi:10.1145/3388333.3388660. http://dx.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. doi:10.1016/j.ijmultiphaseflow.2020.103293. http://dx.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) (May 7): 174105. doi:10.1063/5.0004860. http://dx.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) (May 20): 5456–5464. doi:10.1021/acs.jpca.0c02450. http://dx.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) (March 1): 48–58. doi:10.1109/mcse.2018.2884921. http://dx.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) (April 17). doi:10.1186/s41313-020-00019-9. http://dx.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). doi:10.1109/p3hpc49587.2019.00007. http://dx.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 18). doi:10.1145/3364228.3364235. http://dx.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 18). doi:10.1145/3364228.3364232. http://dx.doi.org/10.1145/3364228.3364232.

20192.3.4.16 ALPINE

Carr, Hamish, Gunther H. Weber, Christopher Sewell, Oliver Rubel, Patricia Fasel, and James Ahrens. 2019. “Scalable Contour Tree Computation by Data Parallel Peak Pruning.” IEEE Transactions on Visualization and Computer Graphics: 1–1. doi:10.1109/tvcg.2019.2948616. http://dx.doi.org/10.1109/tvcg.2019.2948616.

20192.3.4.16 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. doi:10.1137/1.9781611976137.4. http://dx.doi.org/10.1137/1.9781611976137.4.

20202.3.3.13 CLOVER

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) (April 22): 394–408. doi:10.1177/1094342020918305. http://dx.doi.org/10.1177/1094342020918305.

20202.3.3.07 STRUMPACK/FFTX

Dener, Alp, and Todd Munson. 2019. “Accelerating Limited-Memory Quasi-Newton Convergence for Large-Scale Optimization.” Computational Science – ICCS 2019: 495–507. doi:10.1007/978-3-030-22744-9_39. http://dx.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). doi:10.1109/hpec.2019.8916392. http://dx.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). doi:10.1109/protools49597.2019.00012. http://dx.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 19). doi:10.1145/3332466.3374538. http://dx.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). doi:10.1109/ipdpsw.2019.00069. http://dx.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. doi:10.1007/978-981-13-6624-6_12. http://dx.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). doi:10.1109/ipdps.2019.00104. http://dx.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). doi:10.1109/paw-atm49560.2019.00008. http://dx.doi.org/10.1109/PAW-ATM49560.2019.00008.

20192.3.1.09 ParSEC

Cao, Qinglei , Yu Pei, Thomas Herauldt, 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). doi:10.1109/protools49597.2019.00009. http://dx.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 17). doi:10.1145/3295500.3356199. http://dx.doi.org/10.1145/3295500.3356199.

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) (June 15): 562–586. doi:10.1177/1094342020915762. http://dx.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): 118–128. doi:10.1137/1.9781611976137.11. http://dx.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) (February 1): 176–192. doi:10.1107/s2059798320000418. http://dx.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 17). doi:10.1145/3295500.3356202. http://dx.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). doi:10.1109/bigdata47090.2019.9006270. http://dx.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). doi:10.1109/mlhpc49564.2019.00006. http://dx.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). doi:10.1109/ipdps47924.2020.00102. http://dx.doi.org/10.1109/IPDPS47924.2020.00102.

20202.3.3.07 STRUMPACK/FFTX

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) (July 1): 1665–1680. doi:10.1109/tpds.2020.2972548. http://dx.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 21). doi:10.1145/3369583.3392688. http://dx.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. doi:10.1007/978-3-030-49943-3_5. http://dx.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) (June 22): 065003. doi:10.1088/1361-651x/ab9734. http://dx.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) (July 7): 5006–5013. doi:10.1021/acs.jctc.0c00337. http://dx.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 - MICRO-50 ’17. doi:10.1145/3123939.3123983. http://dx.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 17). doi:10.1145/3307681.3326608. http://dx.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) (February 28): 31. doi:10.3847/1538-4357/837/1/31. http://dx.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 11). doi:10.1145/3208040.3208050. http://dx.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 - ISAV ’18. doi:10.1145/3281464.3281467. http://dx.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) (November 15): 285–303. doi:10.1177/1094342017737147. http://dx.doi.org/10.1177/1094342017737147.

20172.3.4.14 VeloC-SZ

Xie, Cong, Wen Zhong, Wei Xu, and Klaus Mueller. 2019. “Visual Analytics of Heterogeneous Data Using Hypergraph Learning.” ACM Transactions on Intelligent Systems and Technology 10 (1) (January 16): 1–26. doi:10.1145/3200765. http://dx.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) (July 9): 1201–1220. doi:10.1177/1094342019853336. http://dx.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) (January). Portico. doi:10.1029/2019ms001863. http://dx.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 5). doi:10.1145/3337821.3337905. http://dx.doi.org/10.1145/3337821.3337905.

20192.2.4.03 CANDLEDOE_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) (January 28): 739–747. Portico. doi:10.1002/2017gl076505. http://dx.doi.org/10.1002/2017GL076505.

20182.2.3.03 EQSIMDOE_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) (October): 103108. doi:10.1063/1.5094045. http://dx.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) (August): 086101. doi:10.1063/1.5108534. http://dx.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) (May 16): 1900185. Portico. doi:10.1002/adem.201900185. http://dx.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). doi:10.1109/ipdps.2017.115. http://dx.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. doi:10.1016/j.parco.2019.102546. http://dx.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. doi:10.1016/j.compchemeng.2019.106578. http://dx.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): 506–518. doi:10.1016/j.anucene.2017.11.032. http://dx.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): 363–371. doi:10.1016/j.proci.2018.07.113. http://dx.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): 102–110. doi:10.1016/j.cpc.2018.09.015. http://dx.doi.org/10.1016/j.cpc.2018.09.015.

20192.2.2.06 WarpXDOE_SC_ASCR, DOE_SC_HEP

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

20202.2.1.01 LatticeQCDDOE_SC_ASCR, DOE_SC_NP, 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) (February 27): 1268–1284. doi:10.1785/0220180261. http://dx.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). doi:10.1109/cluster.2018.00036. http://dx.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). doi:10.1109/cluster.2018.00013. http://dx.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) (July): 1568–1582. doi:10.14778/3342263.3342634. http://dx.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) (February 1): 331–345. doi:10.1109/tpds.2018.2859932. http://dx.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) (January 1): 129–143. doi:10.1109/tpds.2017.2749300. http://dx.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). doi:10.1109/pmbs.2018.8641631. http://dx.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). doi:10.1109/cluster.2018.00048. http://dx.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). doi:10.1109/ipdps.2018.00098. http://dx.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). doi:10.1109/pmbs.2018.8641569. http://dx.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). doi:10.1109/cluster.2018.00037. http://dx.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) (January): 215–224. doi:10.1109/tvcg.2018.2865026. http://dx.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. doi:10.1016/j.anucene.2020.107327. http://dx.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): 236–247. doi:10.1016/j.anucene.2019.01.012. http://dx.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) (August 1): 1857–1871. doi:10.1109/tpds.2019.2894404. http://dx.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). doi:10.1109/espm2.2018.00004. http://dx.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) (December 21): 1122–1145. doi:10.1021/acs.jctc.8b00701. http://dx.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) (August): 4581–4589. doi:10.1021/acs.jctc.8b00294. http://dx.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). doi:10.1109/correctness.2018.00006. http://dx.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) (June 27): 6210–6228. doi:10.1021/acs.jpca.9b03592. http://dx.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) (May): 63–67. doi:10.1109/mcse.2017.57. http://dx.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) (September 25): 5597–5607. doi:10.1021/acs.jctc.8b00171. http://dx.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. doi:10.1016/j.cpc.2019.07.009. http://dx.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) (February 6): 1727–1740. doi:10.1021/acs.jpca.7b11722. http://dx.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. doi:10.1016/j.cpc.2019.106947. http://dx.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): 315–322. doi:10.1016/j.proci.2018.05.028. http://dx.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): 436–450. doi:10.1016/j.combustflame.2019.07.015. http://dx.doi.org/10.1016/j.combustflame.2019.07.015.

20192.2.2.02 Combustion-PeleDOE_SC_ASCR, DOE_SC_BES