The scalable heterogeneous computing (SHOC) benchmark suite A Danalis, G Marin, C McCurdy, JS Meredith, PC Roth, K Spafford, ... Proceedings of the 3rd workshop on general-purpose computation on graphics …, 2010 | 849 | 2010 |
NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 629 | 2020 |
NWChem, A computational chemistry package for parallel computers, version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007 | 561 | 2007 |
Advances, applications and performance of the global arrays shared memory programming toolkit J Nieplocha, B Palmer, V Tipparaju, M Krishnan, H Trease, E Apra The International Journal of High Performance Computing Applications 20 (2 …, 2006 | 426 | 2006 |
NWCHEM, a computational chemistry package for parallel computers, Version 4.6 TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ... Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004 | 238 | 2004 |
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 225 | 2020 |
High performance remote memory access communication: The ARMCI approach J Nieplocha, V Tipparaju, M Krishnan, DK Panda The International Journal of High Performance Computing Applications 20 (2 …, 2006 | 151 | 2006 |
Fast collective operations using shared and remote memory access protocols on clusters V Tipparaju, J Nieplocha, D Panda Proceedings International Parallel and Distributed Processing Symposium, 10 pp., 2003 | 133 | 2003 |
Liquid water: obtaining the right answer for the right reasons E Apra, AP Rendell, RJ Harrison, V Tipparaju, WA DeJong, SS Xantheas Proceedings of the conference on high performance computing networking …, 2009 | 72 | 2009 |
Host-assisted zero-copy remote memory access communication on infiniband V Tipparaju, G Santhanaraman, J Nieplocha, OK Panda 18th International Parallel and Distributed Processing Symposium, 2004 …, 2004 | 69 | 2004 |
Computational Chemistry Package for Parallel Computers TL Windus, S Hirata, MT Hackler, Y Zhao, PD Fan, RJ Harrison, M Dupuis, ... Pacific Northwest National Laboratory: Richland, WA, 2005 | 63 | 2005 |
Supporting the global arrays PGAS model using MPI one-sided communication J Dinan, P Balaji, JR Hammond, S Krishnamoorthy, V Tipparaju 2012 IEEE 26th International Parallel and Distributed Processing Symposium …, 2012 | 59 | 2012 |
Scalable implementations of accurate excited-state coupled cluster theories: Application of high-level methods to porphyrin-based systems K Kowalski, S Krishnamoorthy, RM Olson, V Tipparaju, E Apra Proceedings of 2011 International Conference for High Performance Computing …, 2011 | 53 | 2011 |
NWChem EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... A Computational Chemistry Package for Parallel Computers, Version 5 (1), 2007 | 51 | 2007 |
Protocols and strategies for optimizing performance of remote memory operations on clusters J Nieplocha, V Tipparaju, A Saify, D Panda Parallel and Distributed Processing Symposium, International 3, 0164-0164, 2002 | 46 | 2002 |
Noncollective communicator creation in MPI J Dinan, S Krishnamoorthy, P Balaji, JR Hammond, M Krishnan, ... Recent Advances in the Message Passing Interface: 18th European MPI Users …, 2011 | 33 | 2011 |
Investigating high performance RMA interfaces for the MPI-3 standard V Tipparaju, W Gropp, H Ritzdorf, R Thakur, JL Traff 2009 International Conference on Parallel Processing, 293-300, 2009 | 30 | 2009 |
Efficient barrier using remote memory operations on VIA-based clusters R Gupta, V Tipparaju, J Nieplocha, D Panda Proceedings. IEEE International Conference on Cluster Computing, 83-90, 2002 | 29 | 2002 |
Exploiting non-blocking remote memory access communication in scientific benchmarks V Tipparaju, M Krishnan, J Nieplocha, G Santhanaraman, D Panda High Performance Computing-HiPC 2003: 10th International Conference …, 2003 | 27 | 2003 |
Role of many-body effects in describing low-lying excited states of π-conjugated chromophores: High-level equation-of-motion coupled-cluster studies of fused porphyrin systems K Kowalski, RM Olson, S Krishnamoorthy, V Tipparaju, E Apra Journal of Chemical Theory and Computation 7 (7), 2200-2208, 2011 | 26 | 2011 |