LP Benchmark

Benchmark Guidelines

This site contains the benchmarks required for the 2017 University of Toronto Large Parallel System procurement. The benchmark sources and specific run instructions are provided for each of the benchmarks below. Information on baseline, optimization and reporting of the benchmark scores is described in Schedule 1 of the procurement document.

Large Parallel Benchmark (LPBM)

The following five (5) application benchmarks make up the Large Parallel Benchmark (LPBM). Each benchmark includes the source codes, benchmark run requirements and the instructions for reporting.

HPCG

HPCG is designed to exercise computational and data access patterns that closely match a broad set of important scientific applications, and to give incentive to computer system designers to invest in capabilities that will have impact on the collective performance of these applications. HPCG is an open source benchmark developed by Mike Heroux, Jack Dongarra and Piotr Luszcze

Source and LBPM specific instructions can be downloaded here

Nek5000

Nek5000 is an open source, highly scalable and portable spectral element code designed to simulate a range of flow physics.

Developed at Argonne National Nek5000 is released under the terms of the GNU GPL license

Source and LBPM specific instructions can be downloaded here

WRF

The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed for both atmospheric research and operational forecasting needs.

http://www.wrf-model.org/index.php

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

NAMD is Licenesd under the University of Illinois NAMD Molecular Dynamics Software Non-Exclusive, Non-Commercial Use License http://www.ks.uiuc.edu/Research/namd/license.html

http://www.ks.uiuc.edu/Research/namd/

https://wiki.scinet.utoronto.ca/wiki/images/a/a5/Nek5000_benchmark.tar.gz

miniDFT

MiniDFT is a plane-wave density functional theory (DFT) mini-app for modeling materials. Given an set of atomic coordinates and pseudopotentials, MiniDFT computes self-consistent solutions of the Kohn-Sham equations using either the LDA or PBE exchange-correlation functionals. For each iteration of the self-consistent field cycle, the Fock matrix is constructed and then diagonalized. To build the Fock matrix, Fast Fourier Transforms are used to transform orbitals from the plane wave basis ( where the kinetic energy is most readily computed ) to real space (where the potential is evaluated ) and back. Davidson diagonalization is used to compute the orbital energies and update the orbital coefficients.

The MiniDFT mini-app was excised from the general-purpose Quantum Espresso (QE) code. Quantum Espresso is licensed per the GNU General Public License (GPL). A copy of the GPL is provided in the distribution's 'License' file.

http://www.nersc.gov/research-and-development/apex/apex-benchmarks/minidft/