GROMACS---18

Intel Xeon w9-3495X testing with a ASUS Pro WS W790E-SAGE SE (0705 BIOS) and NVIDIA GeForce RTX 4090 24GB on Ubuntu 22.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2311217-NE-GROMACS1867&rdt&grt.

GROMACS---18ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionNvidia Geforce RTX 4090 24GBIntel Xeon w9-3495XIntel Xeon w9-3495X @ 4.80GHz (56 Cores / 112 Threads)ASUS Pro WS W790E-SAGE SE (0705 BIOS)Intel Device 7aa78 x 32 GB DDR5-4812MT/s Hynix HMCG88AEBRA115N6401GB Micron_9300_MTFDHAL6T4TDR + 0GB Virtual HDisk0NVIDIA GeForce RTX 4090 24GBRealtek ALC12202 x Intel X710 for 10GBASE-TUbuntu 22.046.3.0-060300-generic (x86_64)GNOME Shell 42.9X Server 1.21.1.4NVIDIA 535.129.034.6.0OpenCL 3.0 CUDA 12.2.1471.3.242GCC 11.4.0 + CUDA 12.1ext41920x1200OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseCompiler Details- --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 Processor Details- Scaling Governor: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0 Security Details- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Not affected + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Enhanced / Automatic IBRS IBPB: conditional RSB filling PBRSB-eIBRS: SW sequence + srbds: Not affected + tsx_async_abort: Not affected

GROMACS---18gromacs: NVIDIA CUDA GPU - water_GMX50_baregromacs: MPI CPU - water_GMX50_bareNvidia Geforce RTX 4090 24GBIntel Xeon w9-3495X38.2792.569OpenBenchmarking.org

GROMACS

Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2023Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bareNvidia Geforce RTX 4090 24GB918273645SE +/- 0.47, N = 1438.281. (CXX) g++ options: -O3

GROMACS

CPU Peak Freq (Highest CPU Core Frequency) Monitor

MinAvgMaxNvidia Geforce RTX 4090 24GB190023194324OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500

GROMACS

CPU Power Consumption Monitor

MinAvgMaxNvidia Geforce RTX 4090 24GB57.2199.4263.5OpenBenchmarking.orgWatts, Fewer Is BetterGROMACS 2023CPU Power Consumption Monitor70140210280350

GROMACS

CPU Temperature Monitor

MinAvgMaxNvidia Geforce RTX 4090 24GB59.083.987.0OpenBenchmarking.orgCelsius, Fewer Is BetterGROMACS 2023CPU Temperature Monitor20406080100

GROMACS

Implementation: MPI CPU - Input: water_GMX50_bare

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2023Implementation: MPI CPU - Input: water_GMX50_bareIntel Xeon w9-3495X0.5781.1561.7342.3122.89SE +/- 0.025, N = 52.5691. (CXX) g++ options: -O3

GROMACS

CPU Peak Freq (Highest CPU Core Frequency) Monitor

MinAvgMaxIntel Xeon w9-3495X42519404200OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500

GROMACS

CPU Power Consumption Monitor

MinAvgMaxIntel Xeon w9-3495X97.7210.4475.6OpenBenchmarking.orgWatts, Fewer Is BetterGROMACS 2023CPU Power Consumption Monitor120240360480600

GROMACS

CPU Temperature Monitor

MinAvgMaxIntel Xeon w9-3495X56.083.986.0OpenBenchmarking.orgCelsius, Fewer Is BetterGROMACS 2023CPU Temperature Monitor20406080100

Phoronix Test Suite v10.8.5