Scientific Computing 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

  •         Input: clover_bm
  •         Input: clover_bm64_short
  •         Input: clover_bm16
  • 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

  •         Input: ATPase with 327,506 Atoms
  •         Input: STMV with 1,066,628 Atoms
  • 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: O_ae_pyscf_UHF
  •         Input: LiH_ae_MSD
  •         Input: H4_ae
  • 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 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.