240421_qe_lammps_fftw

AMD Ryzen 7 2700X Eight-Core testing with a Gigabyte B450 AORUS M (F65c BIOS) and eVGA NVIDIA GeForce RTX 3060 12GB on Pop 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 2404213-SMIT-240421Q27
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Result
Identifier
Performance Per
Dollar
Date
Run
  Test
  Duration
2700x b450
April 21
  2 Hours, 24 Minutes
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240421_qe_lammps_fftwOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen 7 2700X Eight-Core @ 3.70GHz (8 Cores / 16 Threads)Gigabyte B450 AORUS M (F65c BIOS)AMD 17h4 x 8GB DDR4-3200MT/s TEAMGROUP-UD4-3200Samsung SSD 970 EVO 500GBeVGA NVIDIA GeForce RTX 3060 12GBNVIDIA Device 228eDELL S2721D + DELL 2209WARealtek RTL8111/8168/8411 + Intel-AC 9260Pop 22.046.8.0-76060800daily20240311-generic (x86_64)GNOME Shell 42.5X Server 1.21.1.4NVIDIA 550.674.6.0OpenCL 3.0 CUDA 12.4.1251.3.277GCC 11.4.0ext43600x1080ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen Resolution240421_qe_lammps_fftw 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 performance (Boost: Enabled) - CPU Microcode: 0x800820d - 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 vulnerable + 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: disabled RSB filling PBRSB-eIBRS: Not affected + srbds: Not affected + tsx_async_abort: Not affected

240421_qe_lammps_fftwfftw: Stock - 1D FFT Size 32fftw: Stock - 1D FFT Size 64fftw: Stock - 2D FFT Size 32fftw: Stock - 2D FFT Size 64fftw: Stock - 1D FFT Size 128fftw: Stock - 1D FFT Size 256fftw: Stock - 1D FFT Size 512fftw: Stock - 2D FFT Size 128fftw: Stock - 2D FFT Size 256fftw: Stock - 2D FFT Size 512fftw: Stock - 1D FFT Size 1024fftw: Stock - 1D FFT Size 2048fftw: Stock - 1D FFT Size 4096fftw: Stock - 2D FFT Size 1024fftw: Stock - 2D FFT Size 2048fftw: Stock - 2D FFT Size 4096fftw: Float + SSE - 1D FFT Size 32fftw: Float + SSE - 1D FFT Size 64fftw: Float + SSE - 2D FFT Size 32fftw: Float + SSE - 2D FFT Size 64fftw: Float + SSE - 1D FFT Size 128fftw: Float + SSE - 1D FFT Size 256fftw: Float + SSE - 1D FFT Size 512fftw: Float + SSE - 2D FFT Size 128fftw: Float + SSE - 2D FFT Size 256fftw: Float + SSE - 2D FFT Size 512fftw: Float + SSE - 1D FFT Size 1024fftw: Float + SSE - 1D FFT Size 2048fftw: Float + SSE - 1D FFT Size 4096fftw: Float + SSE - 2D FFT Size 1024fftw: Float + SSE - 2D FFT Size 2048fftw: Float + SSE - 2D FFT Size 4096lammps: Rhodopsin Proteinqe: AUSURF1122700x b4508630.57868.39841.18400.47935.68120.58610.28235.07970.48006.98642.78293.08292.66824.56158.05943.5118481814034370338442092626178321893352628773293633475335491353022629917446166125.5811198.94OpenBenchmarking.org

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 322700x b4502K4K6K8K10KSE +/- 94.38, N = 58630.51. (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 642700x b4502K4K6K8K10KSE +/- 12.13, N = 37868.31. (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 322700x b4502K4K6K8K10KSE +/- 235.09, N = 149841.11. (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 642700x b4502K4K6K8K10KSE +/- 19.63, N = 38400.41. (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 1282700x b4502K4K6K8K10KSE +/- 72.75, N = 37935.61. (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 2562700x b4502K4K6K8K10KSE +/- 60.57, N = 38120.51. (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 5122700x b4502K4K6K8K10KSE +/- 23.97, N = 38610.21. (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 1282700x b4502K4K6K8K10KSE +/- 68.36, N = 158235.01. (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 2562700x b4502K4K6K8K10KSE +/- 42.08, N = 37970.41. (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 5122700x b4502K4K6K8K10KSE +/- 59.94, N = 38006.91. (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 10242700x b4502K4K6K8K10KSE +/- 17.76, N = 38642.71. (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 20482700x b4502K4K6K8K10KSE +/- 44.93, N = 38293.01. (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 40962700x b4502K4K6K8K10KSE +/- 26.08, N = 38292.61. (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 10242700x b45015003000450060007500SE +/- 95.75, N = 156824.51. (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 20482700x b45013002600390052006500SE +/- 65.15, N = 36158.01. (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 40962700x b45013002600390052006500SE +/- 27.78, N = 35943.51. (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: Float + SSE - Size: 1D FFT Size 322700x b4503K6K9K12K15KSE +/- 7.69, N = 3118481. (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: Float + SSE - Size: 1D FFT Size 642700x b4504K8K12K16K20KSE +/- 132.47, N = 3181401. (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: Float + SSE - Size: 2D FFT Size 322700x b4507K14K21K28K35KSE +/- 196.84, N = 3343701. (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: Float + SSE - Size: 2D FFT Size 642700x b4507K14K21K28K35KSE +/- 174.65, N = 3338441. (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: Float + SSE - Size: 1D FFT Size 1282700x b4504K8K12K16K20KSE +/- 29.72, N = 3209261. (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: Float + SSE - Size: 1D FFT Size 2562700x b4506K12K18K24K30KSE +/- 248.65, N = 3261781. (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: Float + SSE - Size: 1D FFT Size 5122700x b4507K14K21K28K35KSE +/- 82.35, N = 3321891. (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: Float + SSE - Size: 2D FFT Size 1282700x b4507K14K21K28K35KSE +/- 49.17, N = 3335261. (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: Float + SSE - Size: 2D FFT Size 2562700x b4506K12K18K24K30KSE +/- 31.39, N = 3287731. (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: Float + SSE - Size: 2D FFT Size 5122700x b4506K12K18K24K30KSE +/- 42.58, N = 3293631. (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: Float + SSE - Size: 1D FFT Size 10242700x b4507K14K21K28K35KSE +/- 55.77, N = 3347531. (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: Float + SSE - Size: 1D FFT Size 20482700x b4508K16K24K32K40KSE +/- 109.00, N = 3354911. (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: Float + SSE - Size: 1D FFT Size 40962700x b4508K16K24K32K40KSE +/- 77.14, N = 3353021. (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: Float + SSE - Size: 2D FFT Size 10242700x b4506K12K18K24K30KSE +/- 126.19, N = 3262991. (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: Float + SSE - Size: 2D FFT Size 20482700x b4504K8K12K16K20KSE +/- 213.94, N = 15174461. (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: Float + SSE - Size: 2D FFT Size 40962700x b4504K8K12K16K20KSE +/- 231.91, N = 3166121. (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 Protein2700x b4501.25572.51143.76715.02286.2785SE +/- 0.009, N = 35.5811. (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: AUSURF1122700x b45030060090012001500SE +/- 14.85, N = 31198.941. (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