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34 results on '"Lopez, M. Graham"'

1. Enabling ISO Standard Languages for Complex HPC Workflows

Author

Lopez, M. Graham, Hammond, Jeff R., Wells, Jack C., Gibbs, Tom, Costa, Timothy B., Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Nichols, Jeffrey, editor, Maccabe, Arthur ‘Barney’, editor, Nutaro, James, editor, Pophale, Swaroop, editor, Devineni, Pravallika, editor, Ahearn, Theresa, editor, and Verastegui, Becky, editor

Published
2022
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2. QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

Author

Kim, Jeongnim, Baczewski, Andrew, Beaudet, Todd D., Benali, Anouar, Bennett, M. Chandler, Berrill, Mark A., Blunt, Nick S., Borda, Edgar Josue Landinez, Casula, Michele, Ceperley, David M., Chiesa, Simone, Clark, Bryan K., Clay III, Raymond C., Delaney, Kris T., Dewing, Mark, Esler, Kenneth P., Hao, Hongxia, Heinonen, Olle, Kent, Paul R. C., Krogel, Jaron T., Kylanpaa, Ilkka, Li, Ying Wai, Lopez, M. Graham, Luo, Ye, Malone, Fionn D., Martin, Richard M., Mathuriya, Amrita, McMinis, Jeremy, Melton, Cody A., Mitas, Lubos, Morales, Miguel A., Neuscamman, Eric, Parker, William D., Flores, Sergio D. Pineda, Romero, Nichols A., Rubenstein, Brenda M., Shea, Jacqueline A. R., Shin, Hyeondeok, Shulenburger, Luke, Tillack, Andreas, Townsend, Joshua P., Tubman, Norm M., Van Der Goetz, Brett, Vincent, Jordan E., Yang, D. ChangMo, Yang, Yubo, Zhang, Shuai, and Zhao, Luning

Subjects
Physics - Computational Physics, Physics - Chemical Physics
Abstract

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org .

Published
2018
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4. CAASCADE: A System for Static Analysis of HPC Software Application Portfolios

Author

Lopez, M. Graham, Hernandez, Oscar, Budiardja, Reuben D., Wells, Jack C., Hutchison, David, Editorial Board Member, Kanade, Takeo, Editorial Board Member, Kittler, Josef, Editorial Board Member, Kleinberg, Jon M., Editorial Board Member, Mattern, Friedemann, Editorial Board Member, Mitchell, John C., Editorial Board Member, Naor, Moni, Editorial Board Member, Pandu Rangan, C., Editorial Board Member, Steffen, Bernhard, Editorial Board Member, Terzopoulos, Demetri, Editorial Board Member, Tygar, Doug, Editorial Board Member, Goos, Gerhard, Founding Editor, Hartmanis, Juris, Founding Editor, Bhatele, Abhinav, editor, Boehme, David, editor, Levine, Joshua A., editor, Malony, Allen D., editor, and Schulz, Martin, editor

Published
2019
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5. Compile-Time Library Call Detection Using CAASCADE and XALT

Author

Zhao, Jisheng, Hernandez, Oscar R., Budiardja, Reuben D., Lopez, M. Graham, Sarkar, Vivek, Wells, Jack C., Hutchison, David, Series Editor, Kanade, Takeo, Series Editor, Kittler, Josef, Series Editor, Kleinberg, Jon M., Series Editor, Mattern, Friedemann, Series Editor, Mitchell, John C., Series Editor, Naor, Moni, Series Editor, Pandu Rangan, C., Series Editor, Steffen, Bernhard, Series Editor, Terzopoulos, Demetri, Series Editor, Tygar, Doug, Series Editor, Yokota, Rio, editor, Weiland, Michèle, editor, Shalf, John, editor, and Alam, Sadaf, editor

Published
2018
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6. OpenACC 2.5 Validation Testsuite Targeting Multiple Architectures

Author

Friedline, Kyle, Chandrasekaran, Sunita, Lopez, M. Graham, Hernandez, Oscar, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Kunkel, Julian M., editor, Yokota, Rio, editor, Taufer, Michela, editor, and Shalf, John, editor

Published
2017
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7. An Evaluation of OpenSHMEM Interfaces for the Variable-Length Alltoallv() Collective Operation

Author

Lopez, M. Graham, Shamis, Pavel, Gorentla Venkata, Manjunath, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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8. Exploring OpenSHMEM Model to Program GPU-based Extreme-Scale Systems

Author

Potluri, Sreeram, Rossetti, Davide, Becker, Donald, Poole, Duncan, Gorentla Venkata, Manjunath, Hernandez, Oscar, Shamis, Pavel, Lopez, M. Graham, Baker, Mathew, Poole, Wendy, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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9. Using C++ AMP to Accelerate HPC Applications on Multiple Platforms

Author

Lopez, M. Graham, Bergstrom, Christopher, Li, Ying Wai, Elwasif, Wael, Hernandez, Oscar, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Taufer, Michela, editor, Mohr, Bernd, editor, and Kunkel, Julian M., editor

Published
2016
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13. QMCPACK: an open sourceab initioquantum Monte Carlo package for the electronic structure of atoms, molecules and solids

Author

Kim, Jeongnim, primary, Baczewski, Andrew D, additional, Beaudet, Todd D, additional, Benali, Anouar, additional, Bennett, M Chandler, additional, Berrill, Mark A, additional, Blunt, Nick S, additional, Borda, Edgar Josué Landinez, additional, Casula, Michele, additional, Ceperley, David M, additional, Chiesa, Simone, additional, Clark, Bryan K, additional, Clay, Raymond C, additional, Delaney, Kris T, additional, Dewing, Mark, additional, Esler, Kenneth P, additional, Hao, Hongxia, additional, Heinonen, Olle, additional, Kent, Paul R C, additional, Krogel, Jaron T, additional, Kylänpää, Ilkka, additional, Li, Ying Wai, additional, Lopez, M Graham, additional, Luo, Ye, additional, Malone, Fionn D, additional, Martin, Richard M, additional, Mathuriya, Amrita, additional, McMinis, Jeremy, additional, Melton, Cody A, additional, Mitas, Lubos, additional, Morales, Miguel A, additional, Neuscamman, Eric, additional, Parker, William D, additional, Pineda Flores, Sergio D, additional, Romero, Nichols A, additional, Rubenstein, Brenda M, additional, Shea, Jacqueline A R, additional, Shin, Hyeondeok, additional, Shulenburger, Luke, additional, Tillack, Andreas F, additional, Townsend, Joshua P, additional, Tubman, Norm M, additional, Van Der Goetz, Brett, additional, Vincent, Jordan E, additional, Yang, D ChangMo, additional, Yang, Yubo, additional, Zhang, Shuai, additional, and Zhao, Luning, additional

Published
2018
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17. OpenSHMEM and Related Technologies. Experiences, Implementations, and Technologies : Second Workshop, OpenSHMEM 2015, Annapolis, MD, USA, August 4-6, 2015. Revised Selected Papers / edited by Manjunath Gorentla Venkata, Pavel Shamis, Neena Imam, M. Graham Lopez.

Author

Gorentla Venkata, Manjunath. editor., Shamis, Pavel. editor., Imam, Neena. editor., Lopez, M. Graham. editor., SpringerLink (Online service), Gorentla Venkata, Manjunath. editor., Shamis, Pavel. editor., Imam, Neena. editor., Lopez, M. Graham. editor., and SpringerLink (Online service)

Abstract

This book constitutes the proceedings of the Second OpenSHMEM Workshop, held in Annapolis, MD, USA, in August 2015. The 12 technical papers and one short position papers presented in this book were carefully reviewed and selected from 17 submissions. The topics of the workshop included extensions to the OpenSHMEM API, implementation of the API for current and emerging architectures, tools to debug and profile OpenSHMEM programs, experience porting applications to the OpenSHMEM programming model, and changes to the OpenSHMEM specification to address the needs of programming exascale systems.

Published
2015

18. Evaluation of directive-based performance portable programming models

Author

Lopez, M. Graham, Joubert, Wayne, Larrea, Veronica G. Vergara, Hernandez, Oscar, Haidar, Azzam, Tomov, Stanimire, and Dongarra, Jack

Abstract

We present an extended exploration of the performance portability of directives provided by OpenMP 4 and OpenACC to program various types of node architectures with attached accelerators. To do this, we use examples of algorithms with varying computational intensities for our evaluation, as both compute and data access efficiency are important considerations for overall application performance. We implement the kernels of interest using various methods provided by newer OpenACC and OpenMP implementations, and we evaluate their performance on various platforms including both x86\_64 and Power8 with attached NVIDIA GPUs, X86\_64 multicores, self-hosted Intel Xeon Phi KNL, as well as an X86\_64 host system with Intel Xeon Phi coprocessors. Furthermore, we present in detail what factors affected the performance portability, including how to pick the right programming model, its programming style, its availability on different platforms, and how well compilers can optimise and target multiple platforms.

Published
2019
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20. UCX: An Open Source Framework for HPC Network APIs and Beyond

Author

Shamis, Pavel, primary, Venkata, Manjunath Gorentla, additional, Lopez, M. Graham, additional, Baker, Matthew B., additional, Hernandez, Oscar, additional, Itigin, Yossi, additional, Dubman, Mike, additional, Shainer, Gilad, additional, Graham, Richard L., additional, Liss, Liran, additional, Shahar, Yiftah, additional, Potluri, Sreeram, additional, Rossetti, Davide, additional, Becker, Donald, additional, Poole, Duncan, additional, Lamb, Christopher, additional, Kumar, Sameer, additional, Stunkel, Craig, additional, Bosilca, George, additional, and Bouteiller, Aurelien, additional

Published
2015
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25. From MPI to OpenSHMEM: Porting LAMMPS

Author

Tang, Chunyan, Bouteiller, Aurelien, Herault, Thomas, Gorentla Venkata, Manjunath, Bosilca, George, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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26. Graph 500 in OpenSHMEM

Author

D’Azevedo, Eduardo F., Imam, Neena, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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27. Accelerating k-NN Algorithm with Hybrid MPI and OpenSHMEM

Author

Lin, Jian, Hamidouche, Khaled, Zhang, Jie, Lu, Xiaoyi, Vishnu, Abhinav, Panda, Dhabaleswar, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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28. A Case for Non-blocking Collectives in OpenSHMEM: Design, Implementation, and Performance Evaluation using MVAPICH2-X

Author

Awan, A. A., Hamidouche, K., Chu, C. H., Panda, Dhabaleswar, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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29. Parallelizing the Smith-Waterman Algorithm Using OpenSHMEM and MPI-3 One-Sided Interfaces

Author

Baker, Matthew, Welch, Aaron, Gorentla Venkata, Manjunath, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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30. Scalable Out-of-core OpenSHMEM Library for HPC

Author

Gómez-Iglesias, Antonio, Vienne, Jérôme, Hamidouche, Khaled, Simmons, Christopher S., Barth, William L., Panda, Dhabaleswar, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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31. Dynamic Analysis to Support Program Development with the Textually Aligned Property for OpenSHMEM Collectives

Author

Knüpfer, Andreas, Hilbrich, Tobias, Protze, Joachim, Schuchart, Joseph, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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32. Check-Pointing Approach for Fault Tolerance in OpenSHMEM

Author

Hao, Pengfei, Pophale, Swaroop, Shamis, Pavel, Curtis, Tony, Chapman, Barbara, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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33. Extending the Strided Communication Interface in OpenSHMEM

Author

Namashivayam, Naveen, Khaldi, Dounia, Eachempati, Deepak, Chapman, Barbara, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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34. Proposing OpenSHMEM Extensions Towards a Future for Hybrid Programming and Heterogeneous Computing

Author

Knaak, David, Namashivayam, Naveen, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gorentla Venkata, Manjunath, editor, Shamis, Pavel, editor, Imam, Neena, editor, and Lopez, M. Graham, editor

Published
2015
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