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CP2K Molecular Dynamics

CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. More details on the CP2K benchmark test cases and details can be found @ https://www.cp2k.org/performance Learn more via the OpenBenchmarking.org test page.

Input: H20-64

a: The test quit with a non-zero exit status. E: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD

b: The test quit with a non-zero exit status. E: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD

dav1d

Dav1d is an open-source, speedy AV1 video decoder supporting modern SIMD CPU features. This test profile times how long it takes to decode sample AV1 video content. Learn more via the OpenBenchmarking.org test page.

Embree

Intel Embree is a collection of high-performance ray-tracing kernels for execution on CPUs (and GPUs via SYCL) and supporting instruction sets such as SSE, AVX, AVX2, and AVX-512. Embree also supports making use of the Intel SPMD Program Compiler (ISPC). Learn more via the OpenBenchmarking.org test page.

GPAW

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). Learn more via the OpenBenchmarking.org test page.

Input: Carbon Nanotube

a: The test quit with a non-zero exit status. E: rank=023 L29: numpy.linalg.LinAlgError: The leading minor of order 16 of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

b: The test quit with a non-zero exit status. E: rank=023 L29: numpy.linalg.LinAlgError: The leading minor of order 16 of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

High Performance Conjugate Gradient

HPCG is the High Performance Conjugate Gradient and is a new scientific benchmark from Sandia National Lans focused for super-computer testing with modern real-world workloads compared to HPCC. Learn more via the OpenBenchmarking.org test page.

Intel Open Image Denoise

Open Image Denoise is a denoising library for ray-tracing and part of the Intel oneAPI rendering toolkit. Learn more via the OpenBenchmarking.org test page.

Kripke

Kripke is a simple, scalable, 3D Sn deterministic particle transport code. Its primary purpose is to research how data layout, programming paradigms and architectures effect the implementation and performance of Sn transport. Kripke is developed by LLNL. Learn more via the OpenBenchmarking.org test page.

a: The test quit with a non-zero exit status.

b: The test quit with a non-zero exit status.

Laghos

Laghos (LAGrangian High-Order Solver) is a miniapp that solves the time-dependent Euler equations of compressible gas dynamics in a moving Lagrangian frame using unstructured high-order finite element spatial discretization and explicit high-order time-stepping. Learn more via the OpenBenchmarking.org test page.

Liquid-DSP

LiquidSDR's Liquid-DSP is a software-defined radio (SDR) digital signal processing library. This test profile runs a multi-threaded benchmark of this SDR/DSP library focused on embedded platform usage. Learn more via the OpenBenchmarking.org test page.

Monte Carlo Simulations of Ionised Nebulae

Mocassin is the Monte Carlo Simulations of Ionised Nebulae. MOCASSIN is a fully 3D or 2D photoionisation and dust radiative transfer code which employs a Monte Carlo approach to the transfer of radiation through media of arbitrary geometry and density distribution. Learn more via the OpenBenchmarking.org test page.

nekRS

nekRS is an open-source Navier Stokes solver based on the spectral element method. NekRS supports both CPU and GPU/accelerator support though this test profile is currently configured for CPU execution. NekRS is part of Nek5000 of the Mathematics and Computer Science MCS at Argonne National Laboratory. This nekRS benchmark is primarily relevant to large core count HPC servers and otherwise may be very time consuming on smaller systems. Learn more via the OpenBenchmarking.org test page.

OSPRay

Intel OSPRay is a portable ray-tracing engine for high-performance, high-fidelity scientific visualizations. OSPRay builds off Intel's Embree and Intel SPMD Program Compiler (ISPC) components as part of the oneAPI rendering toolkit. Learn more via the OpenBenchmarking.org test page.

QMCPACK

QMCPACK is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code making use of MPI for this benchmark of the H20 example code. QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids. QMCPACK is supported by the U.S. Department of Energy. Learn more via the OpenBenchmarking.org test page.

RELION

RELION - REgularised LIkelihood OptimisatioN - is a stand-alone computer program for Maximum A Posteriori refinement of (multiple) 3D reconstructions or 2D class averages in cryo-electron microscopy (cryo-EM). It is developed in the research group of Sjors Scheres at the MRC Laboratory of Molecular Biology. Learn more via the OpenBenchmarking.org test page.

Remhos

Remhos (REMap High-Order Solver) is a miniapp that solves the pure advection equations that are used to perform monotonic and conservative discontinuous field interpolation (remap) as part of the Eulerian phase in Arbitrary Lagrangian Eulerian (ALE) simulations. Learn more via the OpenBenchmarking.org test page.

Stress-NG

Stress-NG is a Linux stress tool developed by Colin Ian King. Learn more via the OpenBenchmarking.org test page.

SVT-AV1

This is a benchmark of the SVT-AV1 open-source video encoder/decoder. SVT-AV1 was originally developed by Intel as part of their Open Visual Cloud / Scalable Video Technology (SVT). Development of SVT-AV1 has since moved to the Alliance for Open Media as part of upstream AV1 development. SVT-AV1 is a CPU-based multi-threaded video encoder for the AV1 video format with a sample YUV video file. Learn more via the OpenBenchmarking.org test page.

Whisper.cpp

Whisper.cpp is a port of OpenAI's Whisper model in C/C++. Whisper.cpp is developed by Georgi Gerganov for transcribing WAV audio files to text / speech recognition. Whisper.cpp supports ARM NEON, x86 AVX, and other advanced CPU features. Learn more via the OpenBenchmarking.org test page.