gromacs 2021.2 5900x

AMD Ryzen 9 5900X 12-Core testing with a ASUS ROG CROSSHAIR VIII HERO (3402 BIOS) and NVIDIA GeForce RTX 3060 Ti 8GB on Ubuntu 21.04 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 2105130-PTS-GROMACS214
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1
May 13 2021
  8 Minutes
2
May 13 2021
  8 Minutes
3
May 13 2021
  8 Minutes
4
May 13 2021
  8 Minutes
5
May 13 2021
  8 Minutes
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gromacs 2021.2 5900xProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen Resolution12345AMD Ryzen 9 5900X 12-Core @ 3.70GHz (12 Cores / 24 Threads)ASUS ROG CROSSHAIR VIII HERO (3402 BIOS)AMD Starship/Matisse16GB1000GB Sabrent Rocket 4.0 PlusNVIDIA GeForce RTX 3060 Ti 8GBNVIDIA GA104 HD AudioASUS VP28URealtek RTL8125 2.5GbE + Intel I211Ubuntu 21.045.11.0-16-generic (x86_64)GNOME Shell 3.38.4X Server 1.20.11NVIDIA 465.274.6.0OpenCL 3.0 CUDA 11.3.1011.2.168GCC 10.3.0 + CUDA 11.3ext43840x2160OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseCompiler Details- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --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-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-gDeRY6/gcc-10-10.3.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-gDeRY6/gcc-10-10.3.0/debian/tmp-gcn/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-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 Processor Details- Scaling Governor: acpi-cpufreq schedutil (Boost: Enabled) - CPU Microcode: 0xa201009 Security Details- 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 IBRS_FW STIBP: always-on RSB filling + srbds: Not affected + tsx_async_abort: Not affected

GROMACS

The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2021.2Implementation: MPI CPU - Input: water_GMX50_bare123450.2880.5760.8641.1521.44SE +/- 0.000, N = 3SE +/- 0.002, N = 3SE +/- 0.002, N = 3SE +/- 0.001, N = 3SE +/- 0.000, N = 31.2771.2761.2801.2781.2771. (CXX) g++ options: -isystem -O3 -fPIC -fexceptions -std=c++17
OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2021.2Implementation: MPI CPU - Input: water_GMX50_bare12345246810Min: 1.28 / Avg: 1.28 / Max: 1.28Min: 1.27 / Avg: 1.28 / Max: 1.28Min: 1.28 / Avg: 1.28 / Max: 1.29Min: 1.28 / Avg: 1.28 / Max: 1.28Min: 1.28 / Avg: 1.28 / Max: 1.281. (CXX) g++ options: -isystem -O3 -fPIC -fexceptions -std=c++17