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.

HTML result view exported from: https://openbenchmarking.org/result/2404213-SMIT-240421Q27&grw.

240421_qe_lammps_fftwProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen Resolution2700x b450AMD 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 11.4.0ext43600x1080OpenBenchmarking.org- 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

Build: Stock - Size: 1D FFT Size 32

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

FFTW

Build: Stock - Size: 1D FFT Size 64

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

FFTW

Build: Stock - Size: 2D FFT Size 32

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

FFTW

Build: Stock - Size: 2D FFT Size 64

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

FFTW

Build: Stock - Size: 1D FFT Size 128

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

FFTW

Build: Stock - Size: 1D FFT Size 256

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

FFTW

Build: Stock - Size: 1D FFT Size 512

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

FFTW

Build: Stock - Size: 2D FFT Size 128

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

FFTW

Build: Stock - Size: 2D FFT Size 256

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

FFTW

Build: Stock - Size: 2D FFT Size 512

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

FFTW

Build: Stock - Size: 1D FFT Size 1024

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

FFTW

Build: Stock - Size: 1D FFT Size 2048

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

FFTW

Build: Stock - Size: 1D FFT Size 4096

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

FFTW

Build: Stock - Size: 2D FFT Size 1024

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

FFTW

Build: Stock - Size: 2D FFT Size 2048

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

FFTW

Build: Stock - Size: 2D FFT Size 4096

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 32

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 64

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 32

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 64

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 128

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 256

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 512

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 128

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 256

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 512

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 1024

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 2048

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

FFTW

Build: Float + SSE - Size: 1D FFT Size 4096

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 1024

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 2048

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

FFTW

Build: Float + SSE - Size: 2D FFT Size 4096

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

Model: Rhodopsin Protein

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

Input: AUSURF112

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


Phoronix Test Suite v10.8.5