Scientific Computing

A collection of scientific computing benchmarks and test suites.

See how your system performs with this suite using the Phoronix Test Suite. It's as easy as running the phoronix-test-suite benchmark scientific-computing command..

Tests In This Suite

• ACES DGEMM

• Algebraic Multi-Grid Benchmark

• ArrayFire

•         Test: BLAS CPU

• CloverLeaf

• CP2K Molecular Dynamics

•         Input: Fayalite-FIST
•         Input: H20-64
•         Input: H2O-DFT-LS

• Dolfyn

• FFTE

•         Test: N=256, 1D Complex FFT Routine

• FFTW

•         Build: Stock - Size: 1D FFT Size 32
•         Build: Stock - Size: 1D FFT Size 4096
•         Build: Stock - Size: 2D FFT Size 32
•         Build: Stock - Size: 2D FFT Size 4096
•         Build: Float + SSE - Size: 1D FFT Size 32
•         Build: Float + SSE - Size: 1D FFT Size 4096
•         Build: Float + SSE - Size: 2D FFT Size 32
•         Build: Float + SSE - Size: 2D FFT Size 4096

• GNU Octave Benchmark

• GPAW

•         Input: Carbon Nanotube

• GROMACS

•         Implementation: MPI CPU - Input: water_GMX50_bare
•         Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare

• Himeno Benchmark

• HPC Challenge

•         Test / Class: G-HPL

• Kripke

• LAMMPS Molecular Dynamics Simulator

•         Model: Rhodopsin Protein
•         Model: 20k Atoms

• LULESH

• miniFE

•         Problem Size: Small
•         Problem Size: Medium
•         Problem Size: Large

• Monte Carlo Simulations of Ionised Nebulae

•         Input: Dust 2D tau100.0
•         Input: Gas HII40

• NAMD

• Nebular Empirical Analysis Tool

• NWChem

• OpenFOAM

•         Input: motorBike
•         Input: drivaerFastback, Small Mesh Size
•         Input: drivaerFastback, Medium Mesh Size
•         Input: drivaerFastback, Large Mesh Size

• Pennant

•         Test: leblancbig
•         Test: sedovbig

• QMCPACK

•         Input: simple-H2O
•         Input: Li2_STO_ae
•         Input: FeCO6_b3lyp_gms
•         Input: FeCO6_b3lyp_gms

• Quantum ESPRESSO

•         Input: AUSURF112

• Timed HMMer Search

• Timed MAFFT Alignment

• Timed MrBayes Analysis

• Xcompact3d Incompact3d

•         Input: input.i3d 129 Cells Per Direction
•         Input: input.i3d 193 Cells Per Direction
•         Input: X3D-benchmarking input.i3d

Revision History

pts/scientific-computing-1.0.3     Thu, 14 Jan 2021 13:54:11 GMT
Add new tests.

pts/scientific-computing-1.0.2     Sat, 19 Sep 2020 14:14:28 GMT
Add new tests.

pts/scientific-computing-1.0.1     Thu, 28 May 2020 15:49:45 GMT
Update tests.

pts/scientific-computing-1.0.0     Wed, 08 Apr 2020 15:05:29 GMT
Initial commit of broad scientific computing test suite.