Published August 31, 2020
| Version bgw-gpu-beta-v2
Software
Restricted
BerkeleyGW GPU Version (SC20 and Gordon-Bell Submissions)
Creators
- 1. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
- 2. National Energy Research Scientific Computing, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
- 3. Department of Physics, University of California at Berkeley, California 94720, USA & Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
- 4. Department of Materials Science and Engineering, Stanford University, Stanford, 94305, California, USA
Description
This repository contains the BerkeleyGW source code employed to run the calculations reported in the paper "Accelerating Large-Scale Excited-State GW Calculations on Leadership Class HPC Systems" submitted to the International Conference for High Performance Computing, Networking, Storage and Analysis (SC’20), New York, NY, USA: Association for Computing Machinery, 2020.
The README files give instructions on how to run some of the benchmarks reported in the papers on Summit at OLCF.