a 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.
HTML result view exported from: https://openbenchmarking.org/result/2407108-NE-A7008060271&grw .
a Processor Motherboard Chipset Memory Disk Graphics Audio Monitor Network OS Kernel Desktop Display Server Display Driver OpenGL OpenCL Vulkan Compiler File-System Screen Resolution a AMD Ryzen 9 3900XT 12-Core @ 3.80GHz (12 Cores / 24 Threads) ASUS PRIME X570-P (4403 BIOS) AMD Starship/Matisse 16GB Samsung SSD 970 EVO Plus 500GB + 2000GB Seagate ST2000DM008-2FR1 ASUS NVIDIA GeForce GTX 1050 Ti 4GB NVIDIA GP107GL HD Audio U3277WB Realtek RTL8111/8168/8411 Ubuntu 22.04 6.5.0-41-generic (x86_64) Xfce 4.16 X Server 1.21.1.4 NVIDIA 535.183.01 4.6.0 OpenCL 3.0 CUDA 12.2.148 1.3.242 GCC 11.4.0 ext4 3840x2160 OpenBenchmarking.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 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
a fftw: Stock - 1D FFT Size 32 fftw: Stock - 2D FFT Size 32 fftw: Stock - 1D FFT Size 4096 fftw: Stock - 2D FFT Size 4096 fftw: Float + SSE - 1D FFT Size 32 fftw: Float + SSE - 2D FFT Size 32 fftw: Float + SSE - 1D FFT Size 4096 fftw: Float + SSE - 2D FFT Size 4096 hmmer: Pfam Database Search mafft: Multiple Sequence Alignment - LSU RNA mrbayes: Primate Phylogeny Analysis himeno: Poisson Pressure Solver hpcc: G-HPL cloverleaf: clover_bm cloverleaf: clover_bm16 cloverleaf: clover_bm64_short dolfyn: Computational Fluid Dynamics gromacs: MPI CPU - water_GMX50_bare lammps: 20k Atoms lammps: Rhodopsin Protein namd: ATPase with 327,506 Atoms namd: STMV with 1,066,628 Atoms mt-dgemm: Sustained Floating-Point Rate pennant: sedovbig pennant: leblancbig amg: ffte: N=256, 1D Complex FFT Routine lulesh: nwchem: C240 Buckyball mocassin: Gas HII40 mocassin: Dust 2D tau100.0 qmcpack: H4_ae qmcpack: Li2_STO_ae qmcpack: LiH_ae_MSD qmcpack: simple-H2O qmcpack: O_ae_pyscf_UHF qmcpack: FeCO6_b3lyp_gms minife: Small incompact3d: input.i3d 129 Cells Per Direction incompact3d: input.i3d 193 Cells Per Direction qe: AUSURF112 cp2k: H20-64 cp2k: Fayalite-FIST a 9559.7 9839.8 8057.1 6038.9 15191 44311 54996 19275 114.527 10.021 102.160 4972.608440 51.85067 133.62 3320.14 384.67 16.178 1.143 9.029 8.886 0.77290 0.22106 4.274499 94.06606 71.59602 227667400 38761.048216906 4280.3197 7717.7 16.660 213.947 25.66 231.85 107.32 26.228 190.14 169.50 4049.05 32.4710719 149.553243 584.05 101.516 171.818 OpenBenchmarking.org
FFTW Build: Stock - Size: 1D FFT Size 32 OpenBenchmarking.org Mflops, More Is Better FFTW 3.3.6 Build: Stock - Size: 1D FFT Size 32 a 2K 4K 6K 8K 10K SE +/- 33.05, N = 3 9559.7 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Stock - Size: 2D FFT Size 32 a 2K 4K 6K 8K 10K SE +/- 105.96, N = 5 9839.8 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Stock - Size: 1D FFT Size 4096 a 2K 4K 6K 8K 10K SE +/- 88.57, N = 4 8057.1 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Stock - Size: 2D FFT Size 4096 a 1300 2600 3900 5200 6500 SE +/- 52.65, N = 8 6038.9 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Float + SSE - Size: 1D FFT Size 32 a 3K 6K 9K 12K 15K SE +/- 33.98, N = 3 15191 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Float + SSE - Size: 2D FFT Size 32 a 9K 18K 27K 36K 45K SE +/- 55.81, N = 3 44311 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Float + SSE - Size: 1D FFT Size 4096 a 12K 24K 36K 48K 60K SE +/- 215.81, N = 3 54996 1. (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.org Mflops, More Is Better FFTW 3.3.6 Build: Float + SSE - Size: 2D FFT Size 4096 a 4K 8K 12K 16K 20K SE +/- 42.58, N = 3 19275 1. (CC) gcc options: -O3 -fomit-frame-pointer -mtune=native -malign-double -fstrict-aliasing -fno-schedule-insns -ffast-math -lm
Timed HMMer Search Pfam Database Search OpenBenchmarking.org Seconds, Fewer Is Better Timed HMMer Search 3.3.2 Pfam Database Search a 30 60 90 120 150 SE +/- 0.33, N = 3 114.53 1. (CC) gcc options: -O3 -pthread -lhmmer -leasel -lm -lmpi
Timed MAFFT Alignment Multiple Sequence Alignment - LSU RNA OpenBenchmarking.org Seconds, Fewer Is Better Timed MAFFT Alignment 7.471 Multiple Sequence Alignment - LSU RNA a 3 6 9 12 15 SE +/- 0.06, N = 3 10.02 1. (CC) gcc options: -std=c99 -O3 -lm -lpthread
Timed MrBayes Analysis Primate Phylogeny Analysis OpenBenchmarking.org Seconds, Fewer Is Better Timed MrBayes Analysis 3.2.7 Primate Phylogeny Analysis a 20 40 60 80 100 SE +/- 0.03, N = 3 102.16 1. (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
Himeno Benchmark Poisson Pressure Solver OpenBenchmarking.org MFLOPS, More Is Better Himeno Benchmark 3.0 Poisson Pressure Solver a 1100 2200 3300 4400 5500 SE +/- 37.04, N = 3 4972.61 1. (CC) gcc options: -O3 -mavx2
HPC Challenge Test / Class: G-HPL OpenBenchmarking.org GFLOPS, More Is Better HPC Challenge 1.5.0 Test / Class: G-HPL a 12 24 36 48 60 SE +/- 0.22, N = 3 51.85 1. (CC) gcc options: -lblas -lm -lmpi -fomit-frame-pointer -funroll-loops 2. OpenBLAS + Open MPI 4.1.2
CloverLeaf Input: clover_bm OpenBenchmarking.org Seconds, Fewer Is Better CloverLeaf 1.3 Input: clover_bm a 30 60 90 120 150 SE +/- 0.24, N = 3 133.62 1. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp
CloverLeaf Input: clover_bm16 OpenBenchmarking.org Seconds, Fewer Is Better CloverLeaf 1.3 Input: clover_bm16 a 700 1400 2100 2800 3500 SE +/- 0.22, N = 3 3320.14 1. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp
CloverLeaf Input: clover_bm64_short OpenBenchmarking.org Seconds, Fewer Is Better CloverLeaf 1.3 Input: clover_bm64_short a 80 160 240 320 400 SE +/- 0.35, N = 3 384.67 1. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp
Dolfyn Computational Fluid Dynamics OpenBenchmarking.org Seconds, Fewer Is Better Dolfyn 0.527 Computational Fluid Dynamics a 4 8 12 16 20 SE +/- 0.22, N = 3 16.18
GROMACS Implementation: MPI CPU - Input: water_GMX50_bare OpenBenchmarking.org Ns Per Day, More Is Better GROMACS 2024 Implementation: MPI CPU - Input: water_GMX50_bare a 0.2572 0.5144 0.7716 1.0288 1.286 SE +/- 0.001, N = 3 1.143 1. (CXX) g++ options: -O3 -lm
LAMMPS Molecular Dynamics Simulator Model: 20k Atoms OpenBenchmarking.org ns/day, More Is Better LAMMPS Molecular Dynamics Simulator 23Jun2022 Model: 20k Atoms a 3 6 9 12 15 SE +/- 0.023, N = 3 9.029 1. (CXX) g++ options: -O3 -lm -ldl
LAMMPS Molecular Dynamics Simulator Model: Rhodopsin Protein OpenBenchmarking.org ns/day, More Is Better LAMMPS Molecular Dynamics Simulator 23Jun2022 Model: Rhodopsin Protein a 2 4 6 8 10 SE +/- 0.016, N = 3 8.886 1. (CXX) g++ options: -O3 -lm -ldl
NAMD Input: ATPase with 327,506 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0b6 Input: ATPase with 327,506 Atoms a 0.1739 0.3478 0.5217 0.6956 0.8695 SE +/- 0.00217, N = 3 0.77290
NAMD Input: STMV with 1,066,628 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0b6 Input: STMV with 1,066,628 Atoms a 0.0497 0.0994 0.1491 0.1988 0.2485 SE +/- 0.00034, N = 3 0.22106
ACES DGEMM Sustained Floating-Point Rate OpenBenchmarking.org GFLOP/s, More Is Better ACES DGEMM 1.0 Sustained Floating-Point Rate a 0.9618 1.9236 2.8854 3.8472 4.809 SE +/- 0.050470, N = 3 4.274499 1. (CC) gcc options: -O3 -march=native -fopenmp
Pennant Test: sedovbig OpenBenchmarking.org Hydro Cycle Time - Seconds, Fewer Is Better Pennant 1.0.1 Test: sedovbig a 20 40 60 80 100 SE +/- 0.01, N = 3 94.07 1. (CXX) g++ options: -fopenmp -lmpi_cxx -lmpi
Pennant Test: leblancbig OpenBenchmarking.org Hydro Cycle Time - Seconds, Fewer Is Better Pennant 1.0.1 Test: leblancbig a 16 32 48 64 80 SE +/- 0.00, N = 3 71.60 1. (CXX) g++ options: -fopenmp -lmpi_cxx -lmpi
Algebraic Multi-Grid Benchmark OpenBenchmarking.org Figure Of Merit, More Is Better Algebraic Multi-Grid Benchmark 1.2 a 50M 100M 150M 200M 250M SE +/- 289286.21, N = 3 227667400 1. (CC) gcc options: -lparcsr_ls -lparcsr_mv -lseq_mv -lIJ_mv -lkrylov -lHYPRE_utilities -lm -fopenmp -lmpi
FFTE Test: N=256, 1D Complex FFT Routine OpenBenchmarking.org MFLOPS, More Is Better FFTE 7.0 Test: N=256, 1D Complex FFT Routine a 8K 16K 24K 32K 40K SE +/- 18.65, N = 3 38761.05 1. (F9X) gfortran options: -O3 -fomit-frame-pointer -fopenmp
LULESH OpenBenchmarking.org z/s, More Is Better LULESH 2.0.3 a 900 1800 2700 3600 4500 SE +/- 9.84, N = 3 4280.32 1. (CXX) g++ options: -O3 -fopenmp -lm -lmpi_cxx -lmpi
NWChem Input: C240 Buckyball OpenBenchmarking.org Seconds, Fewer Is Better NWChem 7.0.2 Input: C240 Buckyball a 1700 3400 5100 6800 8500 7717.7 1. (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
Monte Carlo Simulations of Ionised Nebulae Input: Gas HII40 OpenBenchmarking.org Seconds, Fewer Is Better Monte Carlo Simulations of Ionised Nebulae 2.02.73.3 Input: Gas HII40 a 4 8 12 16 20 SE +/- 0.15, N = 3 16.66 1. (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
Monte Carlo Simulations of Ionised Nebulae Input: Dust 2D tau100.0 OpenBenchmarking.org Seconds, Fewer Is Better Monte Carlo Simulations of Ionised Nebulae 2.02.73.3 Input: Dust 2D tau100.0 a 50 100 150 200 250 SE +/- 0.02, N = 3 213.95 1. (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 Input: H4_ae OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: H4_ae a 6 12 18 24 30 SE +/- 0.20, N = 3 25.66 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
QMCPACK Input: Li2_STO_ae OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: Li2_STO_ae a 50 100 150 200 250 SE +/- 0.72, N = 3 231.85 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
QMCPACK Input: LiH_ae_MSD OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: LiH_ae_MSD a 20 40 60 80 100 SE +/- 0.34, N = 3 107.32 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
QMCPACK Input: simple-H2O OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: simple-H2O a 6 12 18 24 30 SE +/- 0.11, N = 3 26.23 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
QMCPACK Input: O_ae_pyscf_UHF OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: O_ae_pyscf_UHF a 40 80 120 160 200 SE +/- 1.96, N = 3 190.14 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
QMCPACK Input: FeCO6_b3lyp_gms OpenBenchmarking.org Total Execution Time - Seconds, Fewer Is Better QMCPACK 3.17.1 Input: FeCO6_b3lyp_gms a 40 80 120 160 200 SE +/- 0.26, N = 3 169.50 1. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
miniFE Problem Size: Small OpenBenchmarking.org CG Mflops, More Is Better miniFE 2.2 Problem Size: Small a 900 1800 2700 3600 4500 SE +/- 2.30, N = 3 4049.05 1. (CXX) g++ options: -O3 -fopenmp -lmpi_cxx -lmpi
Xcompact3d Incompact3d Input: input.i3d 129 Cells Per Direction OpenBenchmarking.org Seconds, Fewer Is Better Xcompact3d Incompact3d 2021-03-11 Input: input.i3d 129 Cells Per Direction a 8 16 24 32 40 SE +/- 0.11, N = 3 32.47 1. (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
Xcompact3d Incompact3d Input: input.i3d 193 Cells Per Direction OpenBenchmarking.org Seconds, Fewer Is Better Xcompact3d Incompact3d 2021-03-11 Input: input.i3d 193 Cells Per Direction a 30 60 90 120 150 SE +/- 0.08, N = 3 149.55 1. (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
Quantum ESPRESSO Input: AUSURF112 OpenBenchmarking.org Seconds, Fewer Is Better Quantum ESPRESSO 7.0 Input: AUSURF112 a 130 260 390 520 650 SE +/- 0.96, N = 3 584.05 1. (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
CP2K Molecular Dynamics Input: H20-64 OpenBenchmarking.org Seconds, Fewer Is Better CP2K Molecular Dynamics 2023.1 Input: H20-64 a 20 40 60 80 100 101.52 1. (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
CP2K Molecular Dynamics Input: Fayalite-FIST OpenBenchmarking.org Seconds, Fewer Is Better CP2K Molecular Dynamics 2023.1 Input: Fayalite-FIST a 40 80 120 160 200 171.82 1. (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
Phoronix Test Suite v10.8.5