UCX: An Open Source Framework for HPC Network APIs and Beyond
Shamis, Pavel, Venkata, Manjunath Gorentla, Lopez, M. Graham, Baker, Matthew B., Hernandez, Oscar, Itigin, Yossi, Dubman, Mike, Shainer, Gilad, Graham, Richard L., Liss, Liran, Shahar, Yiftah, Potluri, Sreeram, Rossetti, Davide, Becker, Donald, Poole, Duncan, Lamb, Christopher, Kumar, Sameer, Stunkel, Craig, Bosilca, George, Bouteiller, Aurelien
Published in 2015 IEEE 23rd Annual Symposium on High-Performance Interconnects (01.08.2015)
Published in 2015 IEEE 23rd Annual Symposium on High-Performance Interconnects (01.08.2015)
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Conference Proceeding
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
Acharya, Atanu, Agarwal, Rupesh, Baker, M. B., Baudry, Jerome Y., Bhowmik, Debsindhu, Boehm, Swen, Byler, Kendall G., Chen, S. Y., Coates, Leighton, Cooper, Connor J., Demerdash, Omar N., Daidone, Isabella, Eblen, John D., Ellingson, Sally R., Forli, Stefano, Glaser, Jens, Gumbart, James C., Gunnels, John, Hernandez, Oscar, Irle, Stephan, Kneller, Daniel W., Kovalevsky, Andrii Y., Larkin, Jeffrey, Lawrence, Travis J., LeGrand, Scott, Liu, S.-H. Kevin, Mitchell, Julie C., Park, Gilchan, Parks, Jerry M., Pavlova, Anna, Petridis, Loukas, Poole, Duncan, Pouchard, Line, Ramanathan, Arvind, Rogers, David M., Santos-Martins, Diogo, Scheinberg, Aaron, Sedova, Ada, Shen, Yue, Smith, Jeremy C., Smith, Micholas D., Soto, Carlos, Tsaris, Aristeidis, Thavappiragasam, Mathialakan, Tillack, Andreas F., Vermaas, Josh V., Vuong, Van Quan, Yin, Junqi, Yoo, Shinjae, Zahran, Mai, Zanetti-Polzi, Laura
Published in Journal of chemical information and modeling (16.12.2020)
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Published in Journal of chemical information and modeling (16.12.2020)
Journal Article
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
Acharya, Atanu, Agarwal, Rupesh, Baker, M. B., Baudry, Jerome Y., Bhowmik, Debsindhu, Boehm, Swen, Byler, Kendall G., Chen, S. Y., Coates, Leighton, Cooper, Connor J., Demerdash, Omar, Daidone, Isabella, Eblen, John D., Ellingson, Sally R., Forli, Stefano, Glaser, Jens, Gumbart, James C., Gunnels, John, Hernandez, Oscar, Irle, Stephan, Kneller, Daniel W., Kovalevsky, Andrii Y., Larkin, Jeffrey, Lawrence, Travis J., LeGrand, Scott, Liu, S.-H. Kevin, Mitchell, Julie C., Park, Gilchan, Parks, Jerry M., Pavlova, Anna, Petridis, Loukas, Poole, Duncan, Pouchard, Line, Ramanathan, Arvind, Rogers, David M., Santos-Martins, Diogo, Scheinberg, Aaron, Sedova, Ada, Shen, Yue, Smith, Jeremy C., Smith, Micholas D., Soto, Carlos, Tsaris, Aristeidis, Thavappiragasam, Mathialakan, Tillack, Andreas F., Vermaas, Josh V., Vuong, Van Quan, Yin, Junqi, Yoo, Shinjae, Zahran, Mai, Zanetti-Polzi, Laura
Published in Journal of chemical information and modeling (16.12.2020)
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Published in Journal of chemical information and modeling (16.12.2020)
Journal Article
Parallel Performance Measurement of Heterogeneous Parallel Systems with GPUs
Malony, A. D., Biersdorff, S., Shende, S., Jagode, H., Tomov, S., Juckeland, G., Dietrich, R., Poole, D., Lamb, C.
Published in 2011 International Conference on Parallel Processing (01.09.2011)
Published in 2011 International Conference on Parallel Processing (01.09.2011)
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Conference Proceeding
Exploring OpenSHMEM Model to Program GPU-based Extreme-Scale Systems
Potluri, Sreeram, Rossetti, Davide, Becker, Donald, Poole, Duncan, Gorentla Venkata, Manjunath, Hernandez, Oscar, Shamis, Pavel, Lopez, M. Graham, Baker, Mathew, Poole, Wendy
Published in OpenSHMEM and Related Technologies. Experiences, Implementations, and Technologies
Published in OpenSHMEM and Related Technologies. Experiences, Implementations, and Technologies
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Book Chapter
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
LeGrand, Scott, Scheinberg, Aaron, Tillack, Andreas F., Thavappiragasam, Mathialakan, Vermaas, Josh V., Agarwal, Rupesh, Larkin, Jeff, Poole, Duncan, Santos-Martins, Diogo, Solis-Vasquez, Leonardo, Koch, Andreas, Forli, Stefano, Hernandez, Oscar, Smith, Jeremy C., Sedova, Ada
Published in ArXiv.org (21.09.2020)
Published in ArXiv.org (21.09.2020)
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Journal Article
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
LeGrand, Scott, Scheinberg, Aaron, Tillack, Andreas F, Thavappiragasam, Mathialakan, Vermaas, Josh V, Agarwal, Rupesh, Larkin, Jeff, Poole, Duncan, Santos-Martins, Diogo, Solis-Vasquez, Leonardo, Koch, Andreas, li, Stefano, Hernandez, Oscar, Smith, Jeremy C, Sedova, Ada
Published in arXiv.org (06.07.2020)
Published in arXiv.org (06.07.2020)
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Paper
Journal Article
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
LeGrand, Scott, Scheinberg, Aaron, Tillack, Andreas F, Thavappiragasam, Mathialakan, Vermaas, Josh V, Agarwal, Rupesh, Larkin, Jeff, Poole, Duncan, Santos-Martins, Diogo, Solis-Vasquez, Leonardo, Koch, Andreas, li, Stefano, Hernandez, Oscar, Smith, Jeremy C, Sedova, Ada
Published in ArXiv (06.07.2020)
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Published in ArXiv (06.07.2020)
Paper