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2024
Kovalchuk, S. V., C. de Mulatier, V. V. Krzhizhanovskaya, J. Mikyška, M. Paszyński, J. Dongarra, and P. M. A. Sloot, “Computation at the Cutting Edge of Science,” Journal of Computational Science, June 2024. DOI: 10.1016/j.jocs.2024.102379
Slattery, S. A., K. A. Surjuse, C. Peterson, D. A. Penchoff, and E. Valeev, “Economical Quasi-Newton Unitary Optimization of Electronic Orbitals,” Physical Chemistry Chemical Physics, December 2023, 2024. DOI: 10.1039/D3CP05557D
Slattery, S. A., K. A. Surjuse, C. Peterson, D. A. Penchoff, and E. Valeev, “Economical Quasi-Newton Unitary Optimization of Electronic Orbitals,” Physical Chemistry Chemical Physics, December 2023, 2024. DOI: 10.1039/D3CP05557D
Abdelfattah, A., W. Ahrens, H. Anzt, C. Armstrong, B. Brock, A. Buluc, F. Busato, T. Cojean, T. Davis, J. Demmel, et al., Interface for Sparse Linear Algebra Operations , November 2024. DOI: 10.48550/arXiv.2411.13259
Abdelfattah, A., W. Ahrens, H. Anzt, C. Armstrong, B. Brock, A. Buluc, F. Busato, T. Cojean, T. Davis, J. Demmel, et al., Interface for Sparse Linear Algebra Operations , November 2024. DOI: 10.48550/arXiv.2411.13259
Bernholdt, D. E., G. Bosilca, A. Bouteiller, R. Brightwell, J. Ciesko, M. G. F. Dosanjh, G. Georgakoudis, I. Laguna, S. Levy, T. Naughton, et al., “Taking the MPI standard and the open MPI library to exascale,” The International Journal of High Performance Computing Applications, July 2024. DOI: 10.1177/10943420241265936
Hoefler, T., M. Copik, P. Beckman, A. Jones, I. Foster, M. Parashar, D. Reed, M. Troyer, T. Schulthess, D. Ernst, et al., “XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing,” Computing in Science & Engineering, vol. 26, issue 3, pp. 40 - 51, July 2024. DOI: 10.1109/MCSE.2024.3382154
2023
Thiyagalingam, J., G. von Laszewski, J. Yin, M. Emani, J. Papay, G. Barrett, P. Luszczek, A. Tsaris, C. Kirkpatrick, F. Wang, et al., “AI Benchmarking for Science: Efforts from the MLCommons Science Working Group,” Lecture Notes in Computer Science, vol. 13387: Springer International Publishing, pp. 47 - 64, January 2023. DOI: 10.1007/978-3-031-23220-610.1007/978-3-031-23220-6_4
Valeev, E. F., R. J. Harrison, A. A. Holmes, C. C. Peterson, and D. A. Penchoff, “Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules,” Journal of Chemical Theory and Computation, vol. 19, issue 20, pp. 7230 - 7241, October 2023. DOI: 10.1021/acs.jctc.3c00732
Valeev, E. F., R. J. Harrison, A. A. Holmes, C. C. Peterson, and D. A. Penchoff, “Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules,” Journal of Chemical Theory and Computation, vol. 19, issue 20, pp. 7230 - 7241, October 2023. DOI: 10.1021/acs.jctc.3c00732
Hoefler, T., B. Stevens, A. F. Prein, J. Baehr, T. Schulthess, T. F. Stocker, J. Taylor, D. Klocke, P. Manninen, P. M. Forster, et al., Earth Virtualization Engines - A Technical Perspective , September 2023.
Aggarwal, I., P. Nayak, A. Kashi, and H. Anzt, “Preconditioners for Batched Iterative Linear Solvers on GPUs,” Smoky Mountains Computational Sciences and Engineering Conference, vol. 169075: Springer Nature Switzerland, pp. 38 - 53, January 2023. DOI: 10.1007/978-3-031-23606-810.1007/978-3-031-23606-8_3
Aggarwal, I., P. Nayak, A. Kashi, and H. Anzt, “Preconditioners for Batched Iterative Linear Solvers on GPUs,” Smoky Mountains Computational Sciences and Engineering Conference, vol. 169075: Springer Nature Switzerland, pp. 38 - 53, January 2023. DOI: 10.1007/978-3-031-23606-810.1007/978-3-031-23606-8_3
Benoit, A., T. Herault, L. Perotin, Y. Robert, and F. Vivien, “Revisiting I/O bandwidth-sharing strategies for HPC applications,” INRIA Research Report, no. RR-9502: INRIA, March 2023.
2022
Abdulah, S., Q. Cao, Y. Pei, G. Bosilca, J. Dongarra, M. G. Genton, D. E. Keyes, H. Ltaief, and Y. Sun, “Accelerating Geostatistical Modeling and Prediction With Mixed-Precision Computations: A High-Productivity Approach With PaRSEC,” IEEE Transactions on Parallel and Distributed Systems, vol. 33, issue 4, pp. 964 - 976, April 2022. DOI: 10.1109/TPDS.2021.3084071
Abdelfattah, A., S. Tomov, and J. Dongarra, “Batch QR Factorization on GPUs: Design, Optimization, and Tuning,” Lecture Notes in Computer Science, vol. 13350, Cham, Springer International Publishing, June 2022. DOI: 10.1007/978-3-031-08751-6_5
Benoit, A., Y. Du, T. Herault, L. Marchal, G. Pallez, L. Perotin, Y. Robert, H. Sun, and F. Vivien, “Checkpointing à la Young/Daly: An Overview,” IC3-2022: Proceedings of the 2022 Fourteenth International Conference on Contemporary Computing, Noida, India, ACM Press, pp. 701-710, August 2022. DOI: 10.1145/3549206  (639.77 KB)
Benoit, A., Y. Du, T. Herault, L. Marchal, G. Pallez, L. Perotin, Y. Robert, H. Sun, and F. Vivien, “Checkpointing à la Young/Daly: An Overview,” IC3-2022: Proceedings of the 2022 Fourteenth International Conference on Contemporary Computing, Noida, India, ACM Press, pp. 701-710, August 2022. DOI: 10.1145/3549206  (639.77 KB)
Kovalchuk, S. V., V. V. Krzhizhanovskaya, M. Paszyński, D. Kranzlmüller, J. Dongarra, and P. M. A. Sloot, “Computational science for a better future,” Journal of Computational Science, vol. 62, pp. 101745, July 2022. DOI: 10.1016/j.jocs.2022.101745
Penchoff, D. A., C. C. Peterson, E. M. Wrancher, G. Bosilca, R. J. Harrison, E. F. Valeev, and P. D. Benny, “Evaluations of molecular modeling and machine learning for predictive capabilities in binding of lanthanum and actinium with carboxylic acids,” Journal of Radioanalytical and Nuclear Chemistry, December 2022. DOI: 10.1007/s10967-022-08620-7
Penchoff, D. A., C. C. Peterson, E. M. Wrancher, G. Bosilca, R. J. Harrison, E. F. Valeev, and P. D. Benny, “Evaluations of molecular modeling and machine learning for predictive capabilities in binding of lanthanum and actinium with carboxylic acids,” Journal of Radioanalytical and Nuclear Chemistry, December 2022. DOI: 10.1007/s10967-022-08620-7
Cao, Q., R. Alomairy, Y. Pei, G. Bosilca, H. Ltaief, D. Keyes, and J. Dongarra, “A Framework to Exploit Data Sparsity in Tile Low-Rank Cholesky Factorization,” IEEE International Parallel and Distributed Processing Symposium (IPDPS), July 2022. DOI: 10.1109/IPDPS53621.2022.00047  (1.03 MB)
Bak, S., C. Bertoni, S. Boehm, R. Budiardja, B. M. Chapman, J. Doerfert, M. Eisenbach, H. Finkel, O. Hernandez, J. Huber, et al., “OpenMP application experiences: Porting to accelerated nodes,” Parallel Computing, vol. 109, March 2022. DOI: 10.1016/j.parco.2021.102856
Bak, S., C. Bertoni, S. Boehm, R. Budiardja, B. M. Chapman, J. Doerfert, M. Eisenbach, H. Finkel, O. Hernandez, J. Huber, et al., “OpenMP application experiences: Porting to accelerated nodes,” Parallel Computing, vol. 109, March 2022. DOI: 10.1016/j.parco.2021.102856
Du, Y., G. Pallez, L. Marchal, and Y. Robert, “Optimal Checkpointing Strategies for Iterative Applications,” IEEE Transactions on Parallel Distributed Systems, vol. 33, issue 3, pp. 507-522, March 2022. DOI: 10.1109/TPDS.2021.3099440  (1.47 MB)
Cao, Q., S. Abdulah, R. Alomairy, Y. Pei, P. Nag, G. Bosilca, J. Dongarra, M. G. Genton, D. Keyes, H. Ltaief, et al., “Reshaping Geostatistical Modeling and Prediction for Extreme-Scale Environmental Applications,” 2022 International Conference for High Performance Computing, Networking, Storage and Analysis (SC22), Dallas, TX, IEEE Press, November 2022.
2021
Kovalchuk, S. V., V. V. Krzhizhanovskaya, PMA. Sloot, G. Závodszky, M. H. Lees, M. Paszyński, and J. Dongarra, “20 years of computational science: Selected papers from 2020 International Conference on Computational Science,” Journal of Computational Science, vol. 53, pp. 101395–101395, 2021. DOI: 10.1016/j.jocs.2021.101395
Gao, Y., G. Pallez, Y. Robert, and F. Vivien, “Evaluating Task Dropping Strategies for Overloaded Real-Time Systems (Work-In-Progress),” 42nd Real Time Systems Symposium (RTSS): IEEE Computer Society Press, 2021.  (217.13 KB)
Penchoff, D. A., E. Valeev, H. Jagode, P. Luszczek, A. Danalis, G. Bosilca, R. J. Harrison, J. Dongarra, and T. L. Windus, “An Introduction to High Performance Computing and Its Intersection with Advances in Modeling Rare Earth Elements and Actinides,” Rare Earth Elements and Actinides: Progress in Computational Science Applications, vol. 1388, Washington, DC, American Chemical Society, pp. 3-53, October 2021. DOI: 10.1021/bk-2021-1388.ch001
Cao, Q., Y. Pei, K. Akbudak, G. Bosilca, H. Ltaief, D. Keyes, and J. Dongarra, “Leveraging PaRSEC Runtime Support to Tackle Challenging 3D Data-Sparse Matrix Problems,” 35th IEEE International Parallel & Distributed Processing Symposium (IPDPS 2021), Portland, OR, IEEE, May 2021.  (1.08 MB)
Brown, J., A. Abdelfattah, V. Barra, N. Beams, J-S. Camier, V. Dobrev, Y. Dudouit, L. Ghaffari, T. Kolev, D. Medina, et al., “libCEED: Fast algebra for high-order element-based discretizations,” Journal of Open Source Software, vol. 6, no. 63, pp. 2945, 2021. DOI: 10.21105/joss.02945
Penchoff, D. A., T. L. Windus, and C. C. Peterson, “Rare Earth Elements and Actinides: Progress in Computational Science Applications,” ACS Symposium Series, vol. 1388, Washington, DC, American Chemical Society, October 2021. DOI: DOI: 10.1021/bk-2021-1388
Penchoff, D. A., T. L. Windus, and C. C. Peterson, “Rare Earth Elements and Actinides: Progress in Computational Science Applications,” ACS Symposium Series, vol. 1388, Washington, DC, American Chemical Society, October 2021. DOI: DOI: 10.1021/bk-2021-1388
Penchoff, D. A., C. B. Sims, and T. L. Windus, “Rare Earth Elements and Critical Materials: Uses and Availability,” Rare Earth Elements and Actinides: Progress in Computational Science Applications, vol. 1388, Washington, DC, American Chemical Society, pp. 63-74, October 2021. DOI: 10.1021/bk-2021-1388.ch003
2020
Kolev, T., P. Fischer, A. Abdelfattah, S. Ananthan, V. Barra, N. Beams, R. Bleile, J. Brown, R. Carson, J-S. Camier, et al., “CEED ECP Milestone Report: Improve Performance and Capabilities of CEED-Enabled ECP Applications on Summit/Sierra,” ECP Milestone Reports: Zenodo, May 2020. DOI: 10.5281/zenodo.3860804  (28.12 MB)
Pei, Y., Q. Cao, G. Bosilca, P. Luszczek, V. Eijkhout, and J. Dongarra, “Communication Avoiding 2D Stencil Implementations over PaRSEC Task-Based Runtime,” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), New Orleans, LA, IEEE, May 2020. DOI: 10.1109/IPDPSW50202.2020.00127  (1.33 MB)
Cao, Q., Y. Pei, K. Akbudak, A. Mikhalev, G. Bosilca, H. Ltaief, D. Keyes, and J. Dongarra, “Extreme-Scale Task-Based Cholesky Factorization Toward Climate and Weather Prediction Applications,” Platform for Advanced Scientific Computing Conference (PASC20), Geneva, Switzerland, ACM, June 2020. DOI: 10.1145/3394277.3401846  (2.71 MB)
Luo, X., W. Wu, G. Bosilca, Y. Pei, Q. Cao, T. Patinyasakdikul, D. Zhong, and J. Dongarra, “HAN: A Hierarchical AutotuNed Collective Communication Framework,” IEEE Cluster Conference, Kobe, Japan, Best Paper Award, IEEE Computer Society Press, September 2020.  (764.05 KB)
Luo, X., W. Wu, G. Bosilca, Y. Pei, Q. Cao, T. Patinyasakdikul, D. Zhong, and J. Dongarra, “HAN: A Hierarchical AutotuNed Collective Communication Framework,” IEEE Cluster Conference, Kobe, Japan, Best Paper Award, IEEE Computer Society Press, September 2020.  (764.05 KB)
Gainaru, A., B. Goglin, V. Honoré, P. Raghavan, G. Pallez, P. Raghavan, Y. Robert, and H. Sun, “Reservation and Checkpointing Strategies for Stochastic Jobs,” 34th IEEE International Parallel and Distributed Processing Symposium (IPDPS 2020), New Orleans, LA, IEEE Computer Society Press, May 2020.  (692.4 KB)
Du, Y., L. Marchal, G. Pallez, and Y. Robert, “Robustness of the Young/Daly Formula for Stochastic Iterative Applications,” 49th International Conference on Parallel Processing (ICPP 2020), Edmonton, AB, Canada, ACM Press, August 2020.  (1.11 MB)
Abdelfattah, A., H. Anzt, E. Boman, E. Carson, T. Cojean, J. Dongarra, M. Gates, T. Gruetzmacher, N. J. Higham, S. Li, et al., “A Survey of Numerical Methods Utilizing Mixed Precision Arithmetic,” SLATE Working Notes, no. 15, ICL-UT-20-08: University of Tennessee, July 2020.  (3.98 MB)
2019
Tomov, S., A. Abdelfattah, V. Barra, N. Beams, J. Brown, J-S. Camier, V. Dobrev, J. Dongarra, Y. Dudouit, P. Fischer, et al., CEED ECP Milestone Report: Performance Tuning of CEED Software and 1st and 2nd Wave Apps : Zenodo, October 2019. DOI: 10.5281/zenodo.3477618  (8.31 MB)
Antoniu, G., A. Costan, O. Marcu, M. S. Pérez, N. Stojanovic, R. M. Badia, M. Vázquez, S. Girona, M. Beck, T. Moore, et al., “A Collection of White Papers from the BDEC2 Workshop in Poznan, Poland,” Innovative Computing Laboratory Technical Report, no. ICL-UT-19-10: University of Tennessee, Knoxville, May 2019.  (5.82 MB)
Antoniu, G., A. Costan, O. Marcu, M. S. Pérez, N. Stojanovic, R. M. Badia, M. Vázquez, S. Girona, M. Beck, T. Moore, et al., “A Collection of White Papers from the BDEC2 Workshop in Poznan, Poland,” Innovative Computing Laboratory Technical Report, no. ICL-UT-19-10: University of Tennessee, Knoxville, May 2019.  (5.82 MB)
Altintas, I., K. Marcus, V. Vural, S. Purawat, D. Crawl, G. Antoniu, A. Costan, O. Marcu, P. Balaprakash, R. Cao, et al., “A Collection of White Papers from the BDEC2 Workshop in San Diego, CA,” Innovative Computing Laboratory Technical Report, no. ICL-UT-19-13: University of Tennessee, October 2019.  (8.25 MB)
Aupy, G., A. Benoit, B. Goglin, L. Pottier, and Y. Robert, “Co-Scheduling HPC Workloads on Cache-Partitioned CMP Platforms,” International Journal of High Performance Computing Applications, vol. 33, issue 6, pp. 1221-1239, November 2019. DOI: 10.1177/1094342019846956  (930.28 KB)
Pei, Y., G. Bosilca, I. Yamazaki, A. Ida, and J. Dongarra, “Evaluation of Programming Models to Address Load Imbalance on Distributed Multi-Core CPUs: A Case Study with Block Low-Rank Factorization,” PAW-ATM Workshop at SC19, Denver, CO, ACM, November 2019.  (4.51 MB)
Patinyasakdikul, T., D. Eberius, G. Bosilca, and N. Hjelm, “Give MPI Threading a Fair Chance: A Study of Multithreaded MPI Designs,” IEEE Cluster, Albuquerque, NM, IEEE, September 2019.  (220.84 KB)
Cao, Q., Y. Pei, T. Herault, K. Akbudak, A. Mikhalev, G. Bosilca, H. Ltaief, D. Keyes, and J. Dongarra, “Performance Analysis of Tile Low-Rank Cholesky Factorization Using PaRSEC Instrumentation Tools,” Workshop on Programming and Performance Visualization Tools (ProTools 19) at SC19, Denver, CO, ACM, November 2019.  (429.55 KB)

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