|
|
Venues (Conferences, Journals, ...)
|
|
GrowBag graphs for keyword ? (Num. hits/coverage)
Group by:
The graphs summarize 25 occurrences of 25 keywords
|
|
|
Results
Found 55 publication records. Showing 55 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
93 | Abhinav Bhatele, Sameer Kumar 0001, Chao Mei, James C. Phillips, Gengbin Zheng, Laxmikant V. Kalé |
Overcoming scaling challenges in biomolecular simulations across multiple platforms. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
93 | Volodymyr V. Kindratenko, David Pointer |
A case study in porting a production scientific supercomputing application to a reconfigurable computer. |
FCCM |
2006 |
DBLP DOI BibTeX RDF |
|
78 | Siegfried Benkner, Christian Schröder, Mária Lucká, Othmar Steinhauser |
Grid Services for Parallel Molecular Dynamics with NAMD and CHARMM. |
ICCSA (1) |
2008 |
DBLP DOI BibTeX RDF |
NAMD, CHARMM, ionic liquid, Grid service, molecular dynamics |
65 | Guochun Shi, Volodymyr V. Kindratenko |
Implementation of NAMD molecular dynamics non-bonded force-field on the cell broadband engine processor. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
65 | Sameer Kumar 0001, Chao Huang 0029, George Almási 0001, Laxmikant V. Kalé |
Achieving strong scaling with NAMD on Blue Gene/L. |
IPDPS |
2006 |
DBLP DOI BibTeX RDF |
|
56 | Laxmikant V. Kalé, Sameer Kumar 0001, Gengbin Zheng, Chee Wai Lee |
Scaling Molecular Dynamics to 3000 Processors with Projections: A Performance Analysis Case Study. |
International Conference on Computational Science |
2003 |
DBLP DOI BibTeX RDF |
|
47 | Nancy Tran, Daniel A. Reed |
Modeling of NAMD's Network Input/Output on Large PC Clusters. |
IPDPS |
2007 |
DBLP DOI BibTeX RDF |
|
47 | Rafal Kluszczynski, Piotr Bala |
Supporting NAMD Application on the Grid Using GPE. |
PPAM |
2007 |
DBLP DOI BibTeX RDF |
|
47 | James C. Phillips, Gengbin Zheng, Sameer Kumar 0001, Laxmikant V. Kalé |
NAMD: biomolecular simulation on thousands of processors. |
SC |
2002 |
DBLP DOI BibTeX RDF |
|
37 | Jason R. Villarreal, Walid A. Najjar |
Compiled hardware acceleration of Molecular Dynamics code. |
FPL |
2008 |
DBLP DOI BibTeX RDF |
|
31 | Justin M. Wozniak, Michael Wilde |
JETS: Language and System Support for Many-Parallel-Task Computing. |
ICPP Workshops |
2011 |
DBLP DOI BibTeX RDF |
namd, mptc, mpi, many-task computing, mtc |
31 | Sadaf R. Alam, Jeffery A. Kuehn, Richard F. Barrett, Jeffrey M. Larkin, Mark R. Fahey, Ramanan Sankaran, Patrick H. Worley |
Cray XT4: an early evaluation for petascale scientific simulation. |
SC |
2007 |
DBLP DOI BibTeX RDF |
AORSA, Cray XT4, HPCC, IOR, NAMD, S3D, CAM, POP |
28 | Santiago Antolínez, Peter Eugene Jones, James C. Phillips, Jodi A. Hadden-Perilla |
AMBERff at Scale: Multimillion-Atom Simulations with AMBER Force Fields in NAMD. |
J. Chem. Inf. Model. |
2024 |
DBLP DOI BibTeX RDF |
|
28 | David J. Hardy, Jaemin Choi, Wei Jiang, Emad Tajkhorshid |
Experiences Porting NAMD to the Data Parallel C++ Programming Model. |
IWOCL |
2022 |
DBLP DOI BibTeX RDF |
|
28 | Haochuan Chen, Julio D. C. Maia, Brian K. Radak, David J. Hardy, Wensheng Cai, Christophe Chipot, Emad Tajkhorshid |
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. |
J. Chem. Inf. Model. |
2020 |
DBLP DOI BibTeX RDF |
|
28 | Wei Jiang, Christophe Chipot, Benoît Roux |
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD. |
J. Chem. Inf. Model. |
2019 |
DBLP DOI BibTeX RDF |
|
28 | Junshi Chen, Hong An, Binghui Yan, Weihao Liang, Xin Liu 0081 |
Redesign NAMD Molecular Dynamics Non-Bonded Force-Field on Sunway Manycore Processor. |
HPCC/SmartCity/DSS |
2019 |
DBLP DOI BibTeX RDF |
|
28 | Bilge Acun, David J. Hardy, Laxmikant V. Kalé, Keqin Li 0001, James C. Phillips, John E. Stone |
Scalable molecular dynamics with NAMD on the Summit system. |
IBM J. Res. Dev. |
2018 |
DBLP DOI BibTeX RDF |
|
28 | James C. Phillips |
What You Should Know About NAMD and Charm++ But Were Hoping to Ignore. |
PEARC |
2018 |
DBLP DOI BibTeX RDF |
|
28 | John E. Stone, Antti-Pekka Hynninen, James C. Phillips, Klaus Schulten |
Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms. |
ISC Workshops |
2016 |
DBLP DOI BibTeX RDF |
|
28 | Yamandú González, Pablo Ezzatti, Margot Paulino |
Unleashing the Graphic Processing Units-Based Version of NAMD. |
IWBBIO |
2016 |
DBLP DOI BibTeX RDF |
|
28 | Aaron H. Brown, Tiffany R. Walsh |
An improved TIGER2 implementation for NAMD suitable for the Blue Gene architecture. |
Comput. Phys. Commun. |
2015 |
DBLP DOI BibTeX RDF |
|
28 | Sunhwan Jo, Wei Jiang |
A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations. |
Comput. Phys. Commun. |
2015 |
DBLP DOI BibTeX RDF |
|
28 | Drasko Tomic |
Exploring bacterial biofilms with NAMD, a highly scalable parallel code for complex molecular simulations. |
MIPRO |
2015 |
DBLP DOI BibTeX RDF |
|
28 | Wei Jiang, James C. Phillips, Lei Huang 0019, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux |
Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD. |
Comput. Phys. Commun. |
2014 |
DBLP DOI BibTeX RDF |
|
28 | James C. Phillips, John E. Stone, Kirby L. Vandivort, Timothy G. Armstrong, Justin M. Wozniak, Michael Wilde, Klaus Schulten |
Petascale Tcl with NAMD, VMD, and Swift/T. |
HPTCDL@SC |
2014 |
DBLP DOI BibTeX RDF |
|
28 | James C. Phillips, Klaus Schulten, Abhinav Bhatele, Chao Mei, Yanhua Sun, Eric J. Bohm, Laxmikant V. Kalé |
Scalable Molecular Dynamics with NAMD. |
Parallel Science and Engineering Applications |
2013 |
DBLP BibTeX RDF |
|
28 | Adam K. L. Wong, Andrzej M. Goscinski |
A VMD Plugin for NAMD Simulations on Amazon EC2. |
ICCS |
2012 |
DBLP DOI BibTeX RDF |
|
28 | Armen H. Poghosyan, Levon H. Arsenyan, Hrachya V. Astsatryan |
Comparative NAMD benchmarking on BlueGene/P. |
MIPRO |
2012 |
DBLP BibTeX RDF |
|
28 | |
NAnoscale Molecular Dynamics (NAMD). |
Encyclopedia of Parallel Computing |
2011 |
DBLP DOI BibTeX RDF |
|
28 | Laxmikant V. Kalé, Abhinav Bhatele, Eric J. Bohm, James C. Phillips |
NAMD (NAnoscale Molecular Dynamics). |
Encyclopedia of Parallel Computing |
2011 |
DBLP DOI BibTeX RDF |
|
28 | Zhongwei Li, Ebrahim Khosravi, Shuju Bai |
Interaction simulation of Lipoxygenase with arachidonate acid using NAMD. |
BIBM Workshops |
2011 |
DBLP DOI BibTeX RDF |
|
28 | William J. Menz, Matthew J. Penna, Mark J. Biggs |
TNAMD: Implementation of TIGER2 in NAMD. |
Comput. Phys. Commun. |
2010 |
DBLP DOI BibTeX RDF |
|
28 | Sameer Kumar 0001, Chao Huang 0029, Gengbin Zheng, Eric J. Bohm, Abhinav Bhatele, James C. Phillips, Hao Yu, Laxmikant V. Kalé |
Scalable molecular dynamics with NAMD on the IBM Blue Gene/L system. |
IBM J. Res. Dev. |
2008 |
DBLP DOI BibTeX RDF |
|
28 | A. B. Mutiara 0001 |
Analisis Kinerja Sistem Cluster Terhadapa Aplikasi Simulasi Dinamika Molekular NAMD Memanfaatkan Pustaka CHARM++ |
CoRR |
2008 |
DBLP BibTeX RDF |
|
28 | James C. Phillips, Rosemary Braun, Wei Wang 0342, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten |
Scalable molecular dynamics with NAMD. |
J. Comput. Chem. |
2005 |
DBLP DOI BibTeX RDF |
|
28 | Laxmikant V. Kalé, Milind A. Bhandarkar, Robert Brunner, Neal Krawetz, James C. Phillips, Aritomo Shinozaki |
NAMD: A Case Study in Multilingual Parallel Programming. |
LCPC |
1997 |
DBLP DOI BibTeX RDF |
|
28 | Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten |
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. |
Int. J. High Perform. Comput. Appl. |
1996 |
DBLP DOI BibTeX RDF |
|
19 | Allen D. Malony, Scott Biersdorff, Wyatt Spear, Shangkar Mayanglambam |
An experimental approach to performance measurement of heterogeneous parallel applications using CUDA. |
ICS |
2010 |
DBLP DOI BibTeX RDF |
profiling, GPGPU, tracing, performance tools |
19 | Abhinav Bhatele, Laxmikant V. Kalé, Sameer Kumar 0001 |
Dynamic topology aware load balancing algorithms for molecular dynamics applications. |
ICS |
2009 |
DBLP DOI BibTeX RDF |
load balancing, mapping, topology, mesh, torus |
19 | Ayose Falcón, Paolo Faraboschi, Daniel Ortega |
An Adaptive Synchronization Technique for Parallel Simulation of Networked Clusters. |
ISPASS |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Chee Wai Lee, Celso L. Mendes, Laxmikant V. Kalé |
Towards scalable performance analysis and visualization through data reduction. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Sadaf R. Alam, Pratul K. Agarwal, Scott S. Hampton, Hong Ong, Jeffrey S. Vetter |
Impact of multicores on large-scale molecular dynamics simulations. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Matthew J. Koop, Terry R. Jones, Dhabaleswar K. Panda 0001 |
MVAPICH-Aptus: Scalable high-performance multi-transport MPI over InfiniBand. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Abhinav Bhatele, Laxmikant V. Kalé |
Application-specific topology-aware mapping for three dimensional topologies. |
IPDPS |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Matthew J. Koop, Rahul Kumar, Dhabaleswar K. Panda 0001 |
Can software reliability outperform hardware reliability on high performance interconnects?: a case study with MPI over infiniband. |
ICS |
2008 |
DBLP DOI BibTeX RDF |
reliability, MPI, infiniband |
19 | Maciej Malawski, Tomasz Bartynski, Marian Bubak |
A Tool for Building Collaborative Applications by Invocation of Grid Operations. |
ICCS (3) |
2008 |
DBLP DOI BibTeX RDF |
application building, DEISA, Grid computing, tools, virtual laboratory, EGEE |
19 | James C. Phillips, John E. Stone, Klaus Schulten |
Adapting a message-driven parallel application to GPU-accelerated clusters. |
SC |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Matthew J. Koop, Jaidev K. Sridhar, Dhabaleswar K. Panda 0001 |
Scalable MPI design over InfiniBand using eXtended Reliable Connection. |
CLUSTER |
2008 |
DBLP DOI BibTeX RDF |
|
19 | Lei Chai, Qi Gao 0004, Dhabaleswar K. Panda 0001 |
Understanding the Impact of Multi-Core Architecture in Cluster Computing: A Case Study with Intel Dual-Core System. |
CCGRID |
2007 |
DBLP DOI BibTeX RDF |
|
19 | David M. Kunzman, Gengbin Zheng, Eric J. Bohm, James C. Phillips, Laxmikant V. Kalé |
Poster reception - Charm++ simplifies coding for the cell processor. |
SC |
2006 |
DBLP DOI BibTeX RDF |
|
19 | Sayantan Sur, Matthew J. Koop, Dhabaleswar K. Panda 0001 |
MPI and communication - High-performance and scalable MPI over InfiniBand with reduced memory usage: an in-depth performance analysis. |
SC |
2006 |
DBLP DOI BibTeX RDF |
|
19 | Valentina Salapura, Randy Bickford, Matthias A. Blumrich, Arthur A. Bright, Dong Chen 0005, Paul Coteus, Alan Gara, Mark Giampapa, Michael Gschwind, Manish Gupta 0002, Shawn Hall, Ruud A. Haring, Philip Heidelberger, Dirk Hoenicke, Gerard V. Kopcsay, Martin Ohmacht, Rick A. Rand, Todd Takken, Pavlos Vranas |
Power and performance optimization at the system level. |
Conf. Computing Frontiers |
2005 |
DBLP DOI BibTeX RDF |
BlueGene/L, application performance analysis, application scaling in multiprocessor systems, power/performance efficient systems, power/performance tradeos in systems, chip multiprocessors, supercomputers |
19 | Sameer Kumar 0001, Laxmikant V. Kalé |
Opportunities and Challenges of Modern Communication Architectures: Case Study with QsNet. |
IPDPS |
2004 |
DBLP DOI BibTeX RDF |
|
19 | Naohito Sato, Jean-Marc Jézéquel |
Implementing and Evaluating an Efficient Dynamic Load-Balancer for Distributed Molecular Dynamics Simulation. |
ICPP Workshops |
2000 |
DBLP DOI BibTeX RDF |
|
Displaying result #1 - #55 of 55 (100 per page; Change: )
|
|