Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 165 | 2020 |
A survey of MPI usage in the US exascale computing project DE Bernholdt, S Boehm, G Bosilca, M Gorentla Venkata, RE Grant, ... Concurrency and Computation: Practice and Experience 32 (3), e4851, 2020 | 125 | 2020 |
Redundant execution of HPC applications with MR-MPI C Engelmann, S Böhm Proceedings of the 10th IASTED International Conference on Parallel and …, 2011 | 79 | 2011 |
xSim: The extreme-scale simulator S Böhm, C Engelmann 2011 International Conference on High Performance Computing & Simulation …, 2011 | 67 | 2011 |
High-throughput virtual laboratory for drug discovery using massive datasets J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 42 | 2021 |
OpenMP application experiences: Porting to accelerated nodes S Bak, C Bertoni, S Boehm, R Budiardja, BM Chapman, J Doerfert, ... Parallel Computing 109, 102856, 2022 | 33 | 2022 |
Scaling the Summit: deploying the World’s fastest supercomputer VG Vergara Larrea, W Joubert, MJ Brim, RD Budiardja, D Maxwell, ... High Performance Computing: ISC High Performance 2019 International …, 2019 | 28* | 2019 |
Supercomputing pipelines search for therapeutics against covid-19 JV Vermaas, A Sedova, MB Baker, S Boehm, DM Rogers, J Larkin, ... Computing in Science & Engineering 23 (1), 7-16, 2020 | 27 | 2020 |
Aggregation of real-time system monitoring data for analyzing large-scale parallel and distributed computing environments S Bohm, C Engelmann, SL Scott 2010 IEEE 12th International Conference on High Performance Computing and …, 2010 | 23 | 2010 |
A big data analytics framework for hpc log data: Three case studies using the titan supercomputer log BH Park, Y Hui, S Boehm, RA Ashraf, C Layton, C Engelmann 2018 IEEE International Conference on Cluster Computing (CLUSTER), 571-579, 2018 | 19 | 2018 |
Supporting the development of resilient message passing applications using simulation T Naughton, C Engelmann, G Vallée, S Böhm 2014 22nd Euromicro International Conference on Parallel, Distributed, and …, 2014 | 17 | 2014 |
Software framework for federated science instruments T Naughton, S Hitefield, L Sorrillo, N Rao, J Kohl, W Elwasif, JC Bilheux, ... Driving Scientific and Engineering Discoveries Through the Convergence of …, 2020 | 16 | 2020 |
Evaluating performance portability of accelerator programming models using SPEC ACCEL 1.2 benchmarks S Boehm, S Pophale, VG Vergara Larrea, O Hernandez High Performance Computing: ISC High Performance 2018 International …, 2018 | 15 | 2018 |
Unifyfs: A distributed burst buffer file system-0.1. 0 A Moody, D Sikich, N Bass, MJ Brim, C Stanavige, H Sim, J Moore, ... Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States), 2017 | 15 | 2017 |
SARS-CoV2 billion-compound docking DM Rogers, R Agarwal, JV Vermaas, MD Smith, RT Rajeshwar, C Cooper, ... Scientific Data 10 (1), 173, 2023 | 11 | 2023 |
SPEChpc 2021 benchmark suites for modern HPC systems J Li, A Bobyr, S Boehm, W Brantley, H Brunst, A Cavelan, ... Companion of the 2022 ACM/SPEC International Conference on Performance …, 2022 | 11 | 2022 |
Virtual framework for development and testing of federation software stack A Al-Najjar, NSV Rao, N Imam, T Naughton, S Hitefield, L Sorrillo, J Kohl, ... 2021 IEEE 46th Conference on Local Computer Networks (LCN), 323-326, 2021 | 10 | 2021 |
Evaluating contexts in OpenSHMEM-X reference implementation A Bouteiller, S Pophale, S Boehm, MB Baker, MG Venkata OpenSHMEM and Related Technologies. Big Compute and Big Data Convergence …, 2018 | 9 | 2018 |
File i/o for mpi applications in redundant execution scenarios S Bohm, C Engelmann 2012 20th Euromicro International Conference on Parallel, Distributed and …, 2012 | 9 | 2012 |
VFSIE--Development and Testing Framework for Federated Science Instruments A Al-Najjar, NSV Rao, N Imam, T Naughton, S Hitefield, L Sorrillo, J Kohl, ... arXiv preprint arXiv:2101.02184, 2021 | 8 | 2021 |