LAMMPS Update

AMD Ryzen Threadripper 3970X 32-Core testing with a ASUS ROG ZENITH II EXTREME (0702 BIOS) and NVIDIA TITAN RTX 24GB on Ubuntu 20.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2009180-PTS-LAMMPSUP49.

LAMMPS UpdateProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLCompilerFile-SystemScreen ResolutionAMD Ryzen Threadripper 3970X 32-CoreAMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads)ASUS ROG ZENITH II EXTREME (0702 BIOS)AMD Starship/Matisse64GB1000GB Corsair Force MP600NVIDIA TITAN RTX 24GBNVIDIA TU102 HD AudioASUS MG28UAquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 20.045.4.0-47-generic (x86_64)GNOME Shell 3.36.4X Server 1.20.8NVIDIA 450.36.064.6.0OpenCL 1.2 CUDA 11.0.185GCC 9.3.0 + CUDA 11.0ext43840x2160OpenBenchmarking.org- --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,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 ondemand - CPU Microcode: 0x8301025- 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

LAMMPS Updatelammps: 20k Atomslammps: Rhodopsin ProteinAMD Ryzen Threadripper 3970X 32-Core21.35418.306OpenBenchmarking.org

LAMMPS Molecular Dynamics Simulator

Model: 20k Atoms

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 24Aug2020Model: 20k AtomsAMD Ryzen Threadripper 3970X 32-Core510152025SE +/- 0.15, N = 321.351. (CXX) g++ options: -O3 -pthread -lm

LAMMPS Molecular Dynamics Simulator

Model: Rhodopsin Protein

OpenBenchmarking.orgns/day, More Is BetterLAMMPS Molecular Dynamics Simulator 24Aug2020Model: Rhodopsin ProteinAMD Ryzen Threadripper 3970X 32-Core510152025SE +/- 0.35, N = 1518.311. (CXX) g++ options: -O3 -pthread -lm

Phoronix Test Suite v10.8.4