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AMD Ryzen 9 3900XT 12-Core testing with a ASUS PRIME X570-P (4403 BIOS) and ASUS NVIDIA GeForce GTX 1050 Ti 4GB on Ubuntu 22.04 via the Phoronix Test Suite.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2407108-NE-A7008060271
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Processor: AMD Ryzen 9 3900XT 12-Core @ 3.80GHz (12 Cores / 24 Threads), Motherboard: ASUS PRIME X570-P (4403 BIOS), Chipset: AMD Starship/Matisse, Memory: 16GB, Disk: Samsung SSD 970 EVO Plus 500GB + 2000GB Seagate ST2000DM008-2FR1, Graphics: ASUS NVIDIA GeForce GTX 1050 Ti 4GB, Audio: NVIDIA GP107GL HD Audio, Monitor: U3277WB, Network: Realtek RTL8111/8168/8411

OS: Ubuntu 22.04, Kernel: 6.5.0-41-generic (x86_64), Desktop: Xfce 4.16, Display Server: X Server 1.21.1.4, Display Driver: NVIDIA 535.183.01, OpenGL: 4.6.0, OpenCL: OpenCL 3.0 CUDA 12.2.148, Vulkan: 1.3.242, Compiler: GCC 11.4.0, File-System: ext4, Screen Resolution: 3840x2160

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,brig,d,fortran,objc,obj-c++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-serialization=2 --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-gcn/usr --enable-plugin --enable-shared --enable-threads=posix --host=x86_64-linux-gnu --program-prefix=x86_64-linux-gnu- --target=x86_64-linux-gnu --with-abi=m64 --with-arch-32=i686 --with-build-config=bootstrap-lto-lean --with-default-libstdcxx-abi=new --with-gcc-major-version-only --with-multilib-list=m32,m64,mx32 --with-target-system-zlib=auto --with-tune=generic --without-cuda-driver -v
Processor Notes: Scaling Governor: acpi-cpufreq schedutil (Boost: Enabled) - CPU Microcode: 0x8701021
OpenCL Notes: GPU Compute Cores: 768
Python Notes: Python 3.10.12
Security Notes: gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Mitigation of untrained return thunk; SMT enabled with STIBP protection + spec_rstack_overflow: Mitigation of Safe RET + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Retpolines; IBPB: conditional; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

aOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen 9 3900XT 12-Core @ 3.80GHz (12 Cores / 24 Threads)ASUS PRIME X570-P (4403 BIOS)AMD Starship/Matisse16GBSamsung SSD 970 EVO Plus 500GB + 2000GB Seagate ST2000DM008-2FR1ASUS NVIDIA GeForce GTX 1050 Ti 4GBNVIDIA GP107GL HD AudioU3277WBRealtek RTL8111/8168/8411Ubuntu 22.046.5.0-41-generic (x86_64)Xfce 4.16X Server 1.21.1.4NVIDIA 535.183.014.6.0OpenCL 3.0 CUDA 12.2.1481.3.242GCC 11.4.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionA BenchmarksSystem Logs- Transparent Huge Pages: madvise- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,brig,d,fortran,objc,obj-c++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-serialization=2 --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-gcn/usr --enable-plugin --enable-shared --enable-threads=posix --host=x86_64-linux-gnu --program-prefix=x86_64-linux-gnu- --target=x86_64-linux-gnu --with-abi=m64 --with-arch-32=i686 --with-build-config=bootstrap-lto-lean --with-default-libstdcxx-abi=new --with-gcc-major-version-only --with-multilib-list=m32,m64,mx32 --with-target-system-zlib=auto --with-tune=generic --without-cuda-driver -v - Scaling Governor: acpi-cpufreq schedutil (Boost: Enabled) - CPU Microcode: 0x8701021- GPU Compute Cores: 768- Python 3.10.12- gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Mitigation of untrained return thunk; SMT enabled with STIBP protection + spec_rstack_overflow: Mitigation of Safe RET + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Retpolines; IBPB: conditional; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

acloverleaf: clover_bm16nwchem: C240 Buckyballhpcc: G-HPLlammps: 20k Atomsqe: AUSURF112fftw: Stock - 2D FFT Size 4096cloverleaf: clover_bm64_shortfftw: Float + SSE - 2D FFT Size 4096qmcpack: Li2_STO_aenamd: STMV with 1,066,628 Atomsmocassin: Dust 2D tau100.0qmcpack: O_ae_pyscf_UHFqmcpack: FeCO6_b3lyp_gmsgromacs: MPI CPU - water_GMX50_bareincompact3d: input.i3d 193 Cells Per Directioncloverleaf: clover_bmhmmer: Pfam Database Searchqmcpack: LiH_ae_MSDmrbayes: Primate Phylogeny Analysispennant: sedovbignamd: ATPase with 327,506 Atomspennant: leblancbigminife: Smallhimeno: Poisson Pressure Solvercp2k: Fayalite-FISTmt-dgemm: Sustained Floating-Point Ratecp2k: H20-64incompact3d: input.i3d 129 Cells Per Directionamg: qmcpack: simple-H2Oqmcpack: H4_aemocassin: Gas HII40dolfyn: Computational Fluid Dynamicslulesh: mafft: Multiple Sequence Alignment - LSU RNAfftw: Float + SSE - 1D FFT Size 4096fftw: Stock - 1D FFT Size 4096fftw: Float + SSE - 2D FFT Size 32fftw: Stock - 2D FFT Size 32ffte: N=256, 1D Complex FFT Routinefftw: Float + SSE - 1D FFT Size 32lammps: Rhodopsin Proteinfftw: Stock - 1D FFT Size 32neat: a3320.147717.751.850679.029584.056038.9384.6719275231.850.22106213.947190.14169.501.143149.553243133.62114.527107.32102.16094.066060.7729071.596024049.054972.608440171.8184.274499101.51632.471071922766740026.22825.6616.66016.1784280.319710.021549968057.1443119839.838761.048216906151918.8869559.7OpenBenchmarking.org

CloverLeaf

CloverLeaf is a Lagrangian-Eulerian hydrodynamics benchmark. This test profile currently makes use of CloverLeaf's OpenMP version. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterCloverLeaf 1.3Input: clover_bm16a7001400210028003500SE +/- 0.22, N = 33320.141. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp

NWChem

NWChem is an open-source high performance computational chemistry package. Per NWChem's documentation, "NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters." Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0.2Input: C240 Buckyballa170034005100680085007717.71. (F9X) gfortran options: -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lga -larmci -lpeigs -l64to32 -lopenblas -lpthread -lrt -llapack -lnwcblas -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz -lcomex -m64 -ffast-math -std=legacy -fdefault-integer-8 -finline-functions -O2

HPC Challenge

HPC Challenge (HPCC) is a cluster-focused benchmark consisting of the HPL Linpack TPP benchmark, DGEMM, STREAM, PTRANS, RandomAccess, FFT, and communication bandwidth and latency. This HPC Challenge test profile attempts to ship with standard yet versatile configuration/input files though they can be modified. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgGFLOPS, More Is BetterHPC Challenge 1.5.0Test / Class: G-HPLa1224364860SE +/- 0.22, N = 351.851. (CC) gcc options: -lblas -lm -lmpi -fomit-frame-pointer -funroll-loops2. OpenBLAS + Open MPI 4.1.2

LAMMPS Molecular Dynamics Simulator

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 23Jun2022Model: 20k Atomsa3691215SE +/- 0.023, N = 39.0291. (CXX) g++ options: -O3 -lm -ldl

Quantum ESPRESSO

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterQuantum ESPRESSO 7.0Input: AUSURF112a130260390520650SE +/- 0.96, N = 3584.051. (F9X) gfortran options: -pthread -fopenmp -ldevXlib -lopenblas -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -lfftw3_omp -lfftw3 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Stock - Size: 2D FFT Size 4096a13002600390052006500SE +/- 52.65, N = 86038.91. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

CloverLeaf

CloverLeaf is a Lagrangian-Eulerian hydrodynamics benchmark. This test profile currently makes use of CloverLeaf's OpenMP version. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterCloverLeaf 1.3Input: clover_bm64_shorta80160240320400SE +/- 0.35, N = 3384.671. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Float + SSE - Size: 2D FFT Size 4096a4K8K12K16K20KSE +/- 42.58, N = 3192751. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

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.

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: Li2_STO_aea50100150200250SE +/- 0.72, N = 3231.851. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

NAMD

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 Atomsa0.04970.09940.14910.19880.2485SE +/- 0.00034, N = 30.22106

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.

OpenBenchmarking.orgSeconds, Fewer Is BetterMonte Carlo Simulations of Ionised Nebulae 2.02.73.3Input: Dust 2D tau100.0a50100150200250SE +/- 0.02, N = 3213.951. (F9X) gfortran options: -cpp -Jsource/ -ffree-line-length-0 -lm -std=legacy -O2 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lz

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.

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: O_ae_pyscf_UHFa4080120160200SE +/- 1.96, N = 3190.141. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: FeCO6_b3lyp_gmsa4080120160200SE +/- 0.26, N = 3169.501. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

GROMACS

The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2024Implementation: MPI CPU - Input: water_GMX50_barea0.25720.51440.77161.02881.286SE +/- 0.001, N = 31.1431. (CXX) g++ options: -O3 -lm

Xcompact3d Incompact3d

Xcompact3d Incompact3d is a Fortran-MPI based, finite difference high-performance code for solving the incompressible Navier-Stokes equation and as many as you need scalar transport equations. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterXcompact3d Incompact3d 2021-03-11Input: input.i3d 193 Cells Per Directiona306090120150SE +/- 0.08, N = 3149.551. (F9X) gfortran options: -cpp -O2 -funroll-loops -floop-optimize -fcray-pointer -fbacktrace -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz

CloverLeaf

CloverLeaf is a Lagrangian-Eulerian hydrodynamics benchmark. This test profile currently makes use of CloverLeaf's OpenMP version. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterCloverLeaf 1.3Input: clover_bma306090120150SE +/- 0.24, N = 3133.621. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp

Timed HMMer Search

This test searches through the Pfam database of profile hidden markov models. The search finds the domain structure of Drosophila Sevenless protein. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterTimed HMMer Search 3.3.2Pfam Database Searcha306090120150SE +/- 0.33, N = 3114.531. (CC) gcc options: -O3 -pthread -lhmmer -leasel -lm -lmpi

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.

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: LiH_ae_MSDa20406080100SE +/- 0.34, N = 3107.321. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

Timed MrBayes Analysis

This test performs a bayesian analysis of a set of primate genome sequences in order to estimate their phylogeny. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterTimed MrBayes Analysis 3.2.7Primate Phylogeny Analysisa20406080100SE +/- 0.03, N = 3102.161. (CC) gcc options: -mmmx -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -msse4a -msha -maes -mavx -mfma -mavx2 -mrdrnd -mbmi -mbmi2 -madx -mabm -O3 -std=c99 -pedantic -lm -lreadline

Pennant

Pennant is an application focused on hydrodynamics on general unstructured meshes in 2D. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgHydro Cycle Time - Seconds, Fewer Is BetterPennant 1.0.1Test: sedovbiga20406080100SE +/- 0.01, N = 394.071. (CXX) g++ options: -fopenmp -lmpi_cxx -lmpi

NAMD

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: ATPase with 327,506 Atomsa0.17390.34780.52170.69560.8695SE +/- 0.00217, N = 30.77290

Pennant

Pennant is an application focused on hydrodynamics on general unstructured meshes in 2D. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgHydro Cycle Time - Seconds, Fewer Is BetterPennant 1.0.1Test: leblancbiga1632486480SE +/- 0.00, N = 371.601. (CXX) g++ options: -fopenmp -lmpi_cxx -lmpi

miniFE

MiniFE Finite Element is an application for unstructured implicit finite element codes. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgCG Mflops, More Is BetterminiFE 2.2Problem Size: Smalla9001800270036004500SE +/- 2.30, N = 34049.051. (CXX) g++ options: -O3 -fopenmp -lmpi_cxx -lmpi

Himeno Benchmark

The Himeno benchmark is a linear solver of pressure Poisson using a point-Jacobi method. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMFLOPS, More Is BetterHimeno Benchmark 3.0Poisson Pressure Solvera11002200330044005500SE +/- 37.04, N = 34972.611. (CC) gcc options: -O3 -mavx2

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.

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: Fayalite-FISTa4080120160200171.821. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -lhdf5 -lhdf5_hl -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -lopenblas -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm

ACES DGEMM

This is a multi-threaded DGEMM benchmark. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgGFLOP/s, More Is BetterACES DGEMM 1.0Sustained Floating-Point Ratea0.96181.92362.88543.84724.809SE +/- 0.050470, N = 34.2744991. (CC) gcc options: -O3 -march=native -fopenmp

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.

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: H20-64a20406080100101.521. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -lhdf5 -lhdf5_hl -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -lopenblas -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm

Xcompact3d Incompact3d

Xcompact3d Incompact3d is a Fortran-MPI based, finite difference high-performance code for solving the incompressible Navier-Stokes equation and as many as you need scalar transport equations. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterXcompact3d Incompact3d 2021-03-11Input: input.i3d 129 Cells Per Directiona816243240SE +/- 0.11, N = 332.471. (F9X) gfortran options: -cpp -O2 -funroll-loops -floop-optimize -fcray-pointer -fbacktrace -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm -lz

Algebraic Multi-Grid Benchmark

AMG is a parallel algebraic multigrid solver for linear systems arising from problems on unstructured grids. The driver provided with AMG builds linear systems for various 3-dimensional problems. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgFigure Of Merit, More Is BetterAlgebraic Multi-Grid Benchmark 1.2a50M100M150M200M250MSE +/- 289286.21, N = 32276674001. (CC) gcc options: -lparcsr_ls -lparcsr_mv -lseq_mv -lIJ_mv -lkrylov -lHYPRE_utilities -lm -fopenmp -lmpi

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.

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: simple-H2Oa612182430SE +/- 0.11, N = 326.231. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.17.1Input: H4_aea612182430SE +/- 0.20, N = 325.661. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

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.

OpenBenchmarking.orgSeconds, Fewer Is BetterMonte Carlo Simulations of Ionised Nebulae 2.02.73.3Input: Gas HII40a48121620SE +/- 0.15, N = 316.661. (F9X) gfortran options: -cpp -Jsource/ -ffree-line-length-0 -lm -std=legacy -O2 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lz

Dolfyn

Dolfyn is a Computational Fluid Dynamics (CFD) code of modern numerical simulation techniques. The Dolfyn test profile measures the execution time of the bundled computational fluid dynamics demos that are bundled with Dolfyn. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterDolfyn 0.527Computational Fluid Dynamicsa48121620SE +/- 0.22, N = 316.18

Xcompact3d Incompact3d

Xcompact3d Incompact3d is a Fortran-MPI based, finite difference high-performance code for solving the incompressible Navier-Stokes equation and as many as you need scalar transport equations. Learn more via the OpenBenchmarking.org test page.

Input: X3D-benchmarking input.i3d

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: mpirun noticed that process rank 2 with PID 0 on node arcon exited on signal 9 (Killed).

miniFE

MiniFE Finite Element is an application for unstructured implicit finite element codes. Learn more via the OpenBenchmarking.org test page.

Problem Size: Medium

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: cat: '*.yaml': No such file or directory

LULESH

LULESH is the Livermore Unstructured Lagrangian Explicit Shock Hydrodynamics. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgz/s, More Is BetterLULESH 2.0.3a9001800270036004500SE +/- 9.84, N = 34280.321. (CXX) g++ options: -O3 -fopenmp -lm -lmpi_cxx -lmpi

Timed MAFFT Alignment

This test performs an alignment of 100 pyruvate decarboxylase sequences. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterTimed MAFFT Alignment 7.471Multiple Sequence Alignment - LSU RNAa3691215SE +/- 0.06, N = 310.021. (CC) gcc options: -std=c99 -O3 -lm -lpthread

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Float + SSE - Size: 1D FFT Size 4096a12K24K36K48K60KSE +/- 215.81, N = 3549961. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Stock - Size: 1D FFT Size 4096a2K4K6K8K10KSE +/- 88.57, N = 48057.11. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

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: H2O-DFT-LS

a: The test quit with a non-zero exit status. E: mpirun noticed that process rank 0 with PID 0 on node arcon exited on signal 9 (Killed).

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Float + SSE - Size: 2D FFT Size 32a9K18K27K36K45KSE +/- 55.81, N = 3443111. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Stock - Size: 2D FFT Size 32a2K4K6K8K10KSE +/- 105.96, N = 59839.81. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

FFTE

FFTE is a package by Daisuke Takahashi to compute Discrete Fourier Transforms of 1-, 2- and 3- dimensional sequences of length (2^p)*(3^q)*(5^r). Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMFLOPS, More Is BetterFFTE 7.0Test: N=256, 1D Complex FFT Routinea8K16K24K32K40KSE +/- 18.65, N = 338761.051. (F9X) gfortran options: -O3 -fomit-frame-pointer -fopenmp

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Float + SSE - Size: 1D FFT Size 32a3K6K9K12K15KSE +/- 33.98, N = 3151911. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

LAMMPS Molecular Dynamics Simulator

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 23Jun2022Model: Rhodopsin Proteina246810SE +/- 0.016, N = 38.8861. (CXX) g++ options: -O3 -lm -ldl

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMflops, More Is BetterFFTW 3.3.6Build: Stock - Size: 1D FFT Size 32a2K4K6K8K10KSE +/- 33.05, N = 39559.71. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm

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. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: ModuleNotFoundError: No module named 'gpaw'

miniFE

MiniFE Finite Element is an application for unstructured implicit finite element codes. Learn more via the OpenBenchmarking.org test page.

Problem Size: Large

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: cat: '*.yaml': No such file or directory

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

OpenFOAM

OpenFOAM is the leading free, open-source software for computational fluid dynamics (CFD). This test profile currently uses the drivaerFastback test case for analyzing automotive aerodynamics or alternatively the older motorBike input. Learn more via the OpenBenchmarking.org test page.

Input: drivaerFastback, Large Mesh Size

a: The test quit with a non-zero exit status. E: cat: log.simpleFoam: No such file or directory

Input: motorBike

a: The test quit with a non-zero exit status. E: cat: log.simpleFoam: No such file or directory

Input: drivaerFastback, Medium Mesh Size

a: The test quit with a non-zero exit status. E: cat: log.simpleFoam: No such file or directory

Input: drivaerFastback, Small Mesh Size

a: The test quit with a non-zero exit status. E: cat: log.simpleFoam: No such file or directory

GROMACS

The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds. Learn more via the OpenBenchmarking.org test page.

Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: ./gromacs: 5: /cuda-build/run-gromacs: not found

GNU Octave Benchmark

This test profile measures how long it takes to complete several reference GNU Octave files via octave-benchmark. GNU Octave is used for numerical computations and is an open-source alternative to MATLAB. Learn more via the OpenBenchmarking.org test page.

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: ./octave-benchmark: 8: octave-cli: not found

ArrayFire

ArrayFire is an GPU and CPU numeric processing library, this test uses the built-in CPU and OpenCL ArrayFire benchmarks. Learn more via the OpenBenchmarking.org test page.

Test: BLAS CPU

a: The test run did not produce a result. The test run did not produce a result. The test run did not produce a result. E: ./arrayfire: 3: ./blas_cpu: not found

Nebular Empirical Analysis Tool

NEAT is the Nebular Empirical Analysis Tool for empirical analysis of ionised nebulae, with uncertainty propagation. Learn more via the OpenBenchmarking.org test page.

a: The test quit with a non-zero exit status. The test quit with a non-zero exit status. The test quit with a non-zero exit status. E: ./neat: 3: /bin/neat: not found

a

Processor: AMD Ryzen 9 3900XT 12-Core @ 3.80GHz (12 Cores / 24 Threads), Motherboard: ASUS PRIME X570-P (4403 BIOS), Chipset: AMD Starship/Matisse, Memory: 16GB, Disk: Samsung SSD 970 EVO Plus 500GB + 2000GB Seagate ST2000DM008-2FR1, Graphics: ASUS NVIDIA GeForce GTX 1050 Ti 4GB, Audio: NVIDIA GP107GL HD Audio, Monitor: U3277WB, Network: Realtek RTL8111/8168/8411

OS: Ubuntu 22.04, Kernel: 6.5.0-41-generic (x86_64), Desktop: Xfce 4.16, Display Server: X Server 1.21.1.4, Display Driver: NVIDIA 535.183.01, OpenGL: 4.6.0, OpenCL: OpenCL 3.0 CUDA 12.2.148, Vulkan: 1.3.242, Compiler: GCC 11.4.0, File-System: ext4, Screen Resolution: 3840x2160

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,brig,d,fortran,objc,obj-c++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-serialization=2 --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-11-XeT9lY/gcc-11-11.4.0/debian/tmp-gcn/usr --enable-plugin --enable-shared --enable-threads=posix --host=x86_64-linux-gnu --program-prefix=x86_64-linux-gnu- --target=x86_64-linux-gnu --with-abi=m64 --with-arch-32=i686 --with-build-config=bootstrap-lto-lean --with-default-libstdcxx-abi=new --with-gcc-major-version-only --with-multilib-list=m32,m64,mx32 --with-target-system-zlib=auto --with-tune=generic --without-cuda-driver -v
Processor Notes: Scaling Governor: acpi-cpufreq schedutil (Boost: Enabled) - CPU Microcode: 0x8701021
OpenCL Notes: GPU Compute Cores: 768
Python Notes: Python 3.10.12
Security Notes: gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Mitigation of untrained return thunk; SMT enabled with STIBP protection + spec_rstack_overflow: Mitigation of Safe RET + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Retpolines; IBPB: conditional; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 8 July 2024 11:27 by user stefan.