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.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2311217-NE-GROMACS1867
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Nvidia Geforce RTX 4090 24GB
November 21 2023
  12 Minutes
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November 21 2023
  8 Minutes
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GROMACS---18OpenBenchmarking.orgPhoronix Test SuiteIntel 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 12.1ext41920x1200ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionGROMACS---18 BenchmarksSystem Logs- Transparent Huge Pages: madvise- --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 - Scaling Governor: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0 - 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

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

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