Large-scale GW calculations on pre-exascale HPC systems

Autor: Nathan Wichmann, Andrew Canning, Karthik Raman, Steven G. Louie, Ruchira Sasanka, Jack Deslippe, Mauro Del Ben, Felipe H. da Jornada, Chao Yang

Publikováno v: Computer Physics Communications. 235:187-195

The ab initio GW approach is a rigorous Green’s-function-based framework that can be employed to compute electronic excitation properties of a wide variety of materials such as extended systems, molecules, as well as confined and nanostructured mat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ee3fba080effba8e8b871056bde3985a
https://doi.org/10.1016/j.cpc.2018.09.003

Eigensolver performance comparison on Cray XC systems

Autor: Pierre Carrier, Jack Deslippe, Thorsten Kurth, Nathan Wichmann, Brandon Cook, Nick Hill

Publikováno v: Concurrency and Computation: Practice and Experience. 31

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e17b35a7641d151540151266c444ccec
https://doi.org/10.1002/cpe.4997

Evaluating and Optimizing the NERSC Workload on Knights Landing

Autor: Taylor Barnes, Brandon Cook, Jack Deslippe, Douglas Doerfler, Brian Friesen, Yun He, Thorsten Kurth, Tuomas Koskela, Mathieu Lobet, Tareq Malas, Leonid Oliker, Andrey Ovsyannikov, Abhinav Sarje, Jean-Luc Vay, Henri Vincenti, Samuel Williams, Pierre Carrier, Nathan Wichmann, Marcus Wagner, Paul Kent, Christopher Kerr, John Dennis

Publikováno v: Barnes, T; Cook, B; Deslippe, J; Doerfler, D; Friesen, B; He, Y; et al.(2017). Evaluating and optimizing the NERSC workload on knights landing. Proceedings of PMBS 2016: 7th International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computing Systems-Held in conjunction with SC 2016: The International Conference for High Performance Computing, Networking, Storage and Analysis, 43-53. doi: 10.1109/PMBS.2016.010. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/75c1571h

© 2016 IEEE. NERSC has partnered with 20 representative application teams to evaluate performance on the Xeon-Phi Knights Landing architecture and develop an application-optimization strategy for the greater NERSC workload on the recently installed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bffaa3a52fd403cd071d8bb987e66c46
https://doi.org/10.1109/pmbs.2016.010

High Performance Optimizations for Nuclear Physics Code MFDn on KNL

Autor: Pieter Maris, Meiyue Shao, Nathan Wichmann, John O’Neill, Brandon Cook, Thanh N. Phung, Marcus Wagner, Gaurav Bansal

Publikováno v: Lecture Notes in Computer Science ISBN: 9783319460789
ISC Workshops

Initial optimization strategies and results on MFDn, a large-scale nuclear physics application code, running on a single KNL node are presented. This code consists of the construction of a very large sparse real symmetric matrix and computing a few l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1f735e539685c2a0334ca3219964d61a
https://doi.org/10.1007/978-3-319-46079-6_26

A preliminary evaluation of the hardware acceleration of the Cray Gemini interconnect for PGAS languages and comparison with MPI

Autor: Nathan Wichmann, John Shalf, Hongzhang Shan, Katherine Yelick, Nicholas J. Wright, Marcus Wagner

Publikováno v: ACM SIGMETRICS Performance Evaluation Review. 40:92-98

The Gemini interconnect on the Cray XE6 platform provides for lightweight remote direct memory access (RDMA) between nodes, which is useful for implementing partitioned global address space (PGAS) languages like UPC and Co-Array Fortran. In this pape

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::181fbd1d9aeb609694b1017299a7b6ca
https://doi.org/10.1145/2381056.2381077