GROMACS Update

AMD Ryzen 9 3950X 16-Core testing with a ASUS ROG CROSSHAIR VIII HERO (WI-FI) (1302 BIOS) and NVIDIA TITAN RTX 24GB on Ubuntu 20.04 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 2009067-PTS-GROMACSU38
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Result
Identifier
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Performance Per
Dollar
Date
Run
  Test
  Duration
NVIDIA TITAN RTX
September 06 2020
  6 Minutes


GROMACS UpdateOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen 9 3950X 16-Core @ 3.50GHz (16 Cores / 32 Threads)ASUS ROG CROSSHAIR VIII HERO (WI-FI) (1302 BIOS)AMD Starship/Matisse16GB2000GB Corsair Force MP600NVIDIA TITAN RTX 24GB (1350/7000MHz)NVIDIA TU102 HD AudioDELL P2415QRealtek RTL8125 2.5GbE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 20.045.4.0-45-generic (x86_64)GNOME Shell 3.36.4X Server 1.20.8NVIDIA 450.664.6.0OpenCL 1.2 CUDA 11.0.2281.2.133GCC 9.3.0 + CUDA 11.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionGROMACS Update BenchmarksSystem Logs- --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 performance - CPU Microcode: 0x8701013- 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

GROMACS

The CUDA version of the Gromacs molecular dynamics package. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2020.3Water BenchmarkNVIDIA TITAN RTX246810SE +/- 0.013, N = 37.5711. (CXX) g++ options: -O3 -lpthread -ldl -lrt -lm