moldyn-no-miniFE

AMD Ryzen Threadripper PRO 3945WX 12-Cores testing with a LENOVO 1046 (S07KT17A BIOS) and NVIDIA Quadro P2200 5GB on Ubuntu 20.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2104146-LKM-MOLDYNNO55&grt.

moldyn-no-miniFEProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionAMD Ryzen Threadripper PRO 3945WX 12-CoresAMD Ryzen Threadripper PRO 3945WX 12-Cores @ 4.00GHz (12 Cores / 24 Threads)LENOVO 1046 (S07KT17A BIOS)AMD Starship/Matisse126GB512GB SAMSUNG MZVL2512HCJQ-00BL7NVIDIA Quadro P2200 5GBNVIDIA GP106 HD AudioDELL U2719DAquantia AQC107 NBase-T/IEEE + Intel-AC 9260Ubuntu 20.045.8.0-49-generic (x86_64)MATE 1.24.0X Server 1.20.9NVIDIA 460.394.6.0OpenCL 1.2 CUDA 11.2.1361.2.155GCC 9.3.0 + Clang 12.0.0ext42560x1440OpenBenchmarking.org- Transparent Huge Pages: madvise- WM_LDFLAGS=-m64 WM_CFLAGS="-m64 -fPIC" WM_CXXFLAGS="-m64 -fPIC -std=c++0x"- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --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++,gm2 --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-9-HskZEa/gcc-9-9.3.0/debian/tmp-nvptx/usr,hsa --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-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: 0x830104d- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + spec_store_bypass: Mitigation of SSB disabled via prctl and seccomp + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Full AMD retpoline IBPB: conditional STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

moldyn-no-miniFEcloverleaf: Lagrangian-Eulerian Hydrodynamicscp2k: Fayalite-FISTdolfyn: Computational Fluid Dynamicsgromacs: water_GMX50_barelammps: 20k Atomslammps: Rhodopsin Proteinlulesh: namd: ATPase Simulation - 327,506 Atomsnwchem: C240 Buckyballopenfoam: Motorbike 30Mopenfoam: Motorbike 60Mpennant: sedovbigpennant: leblancbigincompact3d: X3D-benchmarking input.i3dincompact3d: input.i3d 129 Cells Per Directionincompact3d: input.i3d 193 Cells Per DirectionAMD Ryzen Threadripper PRO 3945WX 12-Cores42.96923.59316.5171.7809.9409.9668888.03561.417216811.955.16461.7839.9694627.744451231.6119812.955280655.9116656OpenBenchmarking.org

CloverLeaf

Lagrangian-Eulerian Hydrodynamics

OpenBenchmarking.orgSeconds, Fewer Is BetterCloverLeafLagrangian-Eulerian HydrodynamicsAMD Ryzen Threadripper PRO 3945WX 12-Cores1020304050SE +/- 0.12, N = 342.961. (F9X) gfortran options: -O3 -march=native -funroll-loops -fopenmp

CP2K Molecular Dynamics

Input: Fayalite-FIST

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 8.1Input: Fayalite-FISTAMD Ryzen Threadripper PRO 3945WX 12-Cores2004006008001000923.59

Dolfyn

Computational Fluid Dynamics

OpenBenchmarking.orgSeconds, Fewer Is BetterDolfyn 0.527Computational Fluid DynamicsAMD Ryzen Threadripper PRO 3945WX 12-Cores48121620SE +/- 0.16, N = 1516.52

GROMACS

Input: water_GMX50_bare

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2021Input: water_GMX50_bareAMD Ryzen Threadripper PRO 3945WX 12-Cores0.40050.8011.20151.6022.0025SE +/- 0.002, N = 31.7801. (CXX) g++ options: -O3 -pthread

LAMMPS Molecular Dynamics Simulator

Model: 20k Atoms

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 29Oct2020Model: 20k AtomsAMD Ryzen Threadripper PRO 3945WX 12-Cores3691215SE +/- 0.019, N = 39.9401. (CXX) g++ options: -O3 -pthread -lm

LAMMPS Molecular Dynamics Simulator

Model: Rhodopsin Protein

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 29Oct2020Model: Rhodopsin ProteinAMD Ryzen Threadripper PRO 3945WX 12-Cores3691215SE +/- 0.004, N = 39.9661. (CXX) g++ options: -O3 -pthread -lm

LULESH

OpenBenchmarking.orgz/s, More Is BetterLULESH 2.0.3AMD Ryzen Threadripper PRO 3945WX 12-Cores2K4K6K8K10KSE +/- 32.14, N = 38888.041. (CXX) g++ options: -O3 -fopenmp -lm -pthread -lmpi_cxx -lmpi

NAMD

ATPase Simulation - 327,506 Atoms

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD 2.14ATPase Simulation - 327,506 AtomsAMD Ryzen Threadripper PRO 3945WX 12-Cores0.31890.63780.95671.27561.5945SE +/- 0.00082, N = 31.41721

NWChem

Input: C240 Buckyball

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0.2Input: C240 BuckyballAMD Ryzen Threadripper PRO 3945WX 12-Cores150030004500600075006811.91. (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 -lcomex -lm -m64 -ffast-math -std=legacy -fdefault-integer-8 -finline-functions -O2

OpenFOAM

Input: Motorbike 30M

OpenBenchmarking.orgSeconds, Fewer Is BetterOpenFOAM 8Input: Motorbike 30MAMD Ryzen Threadripper PRO 3945WX 12-Cores1224364860SE +/- 0.05, N = 355.161. (CXX) g++ options: -std=c++11 -m64 -O3 -ftemplate-depth-100 -fPIC -fuse-ld=bfd -Xlinker --add-needed --no-as-needed -ldynamicMesh -lgenericPatchFields -lOpenFOAM -ldl -lm

OpenFOAM

Input: Motorbike 60M

OpenBenchmarking.orgSeconds, Fewer Is BetterOpenFOAM 8Input: Motorbike 60MAMD Ryzen Threadripper PRO 3945WX 12-Cores100200300400500SE +/- 0.50, N = 3461.781. (CXX) g++ options: -std=c++11 -m64 -O3 -ftemplate-depth-100 -fPIC -fuse-ld=bfd -Xlinker --add-needed --no-as-needed -ldynamicMesh -lgenericPatchFields -lOpenFOAM -ldl -lm

Pennant

Test: sedovbig

OpenBenchmarking.orgHydro Cycle Time - Seconds, Fewer Is BetterPennant 1.0.1Test: sedovbigAMD Ryzen Threadripper PRO 3945WX 12-Cores918273645SE +/- 0.08, N = 339.971. (CXX) g++ options: -fopenmp -pthread -lmpi_cxx -lmpi

Pennant

Test: leblancbig

OpenBenchmarking.orgHydro Cycle Time - Seconds, Fewer Is BetterPennant 1.0.1Test: leblancbigAMD Ryzen Threadripper PRO 3945WX 12-Cores714212835SE +/- 0.04, N = 327.741. (CXX) g++ options: -fopenmp -pthread -lmpi_cxx -lmpi

Xcompact3d Incompact3d

Input: X3D-benchmarking input.i3d

OpenBenchmarking.orgSeconds, Fewer Is BetterXcompact3d Incompact3d 2021-03-11Input: X3D-benchmarking input.i3dAMD Ryzen Threadripper PRO 3945WX 12-Cores30060090012001500SE +/- 1.70, N = 31231.611. (F9X) gfortran options: -cpp -O2 -funroll-loops -floop-optimize -fcray-pointer -fbacktrace -pthread -lmpi_usempif08 -lmpi_mpifh -lmpi

Xcompact3d Incompact3d

Input: input.i3d 129 Cells Per Direction

OpenBenchmarking.orgSeconds, Fewer Is BetterXcompact3d Incompact3d 2021-03-11Input: input.i3d 129 Cells Per DirectionAMD Ryzen Threadripper PRO 3945WX 12-Cores3691215SE +/- 0.10, N = 312.961. (F9X) gfortran options: -cpp -O2 -funroll-loops -floop-optimize -fcray-pointer -fbacktrace -pthread -lmpi_usempif08 -lmpi_mpifh -lmpi

Xcompact3d Incompact3d

Input: input.i3d 193 Cells Per Direction

OpenBenchmarking.orgSeconds, Fewer Is BetterXcompact3d Incompact3d 2021-03-11Input: input.i3d 193 Cells Per DirectionAMD Ryzen Threadripper PRO 3945WX 12-Cores1326395265SE +/- 0.45, N = 355.911. (F9X) gfortran options: -cpp -O2 -funroll-loops -floop-optimize -fcray-pointer -fbacktrace -pthread -lmpi_usempif08 -lmpi_mpifh -lmpi

Phoronix Test Suite v10.8.4