gromacsBOTH

AMD Ryzen 9 7950X3D 16-Core testing with a Gigabyte B650 AORUS ELITE AX (F8 BIOS) and ASUS NVIDIA GeForce RTX 3060 12GB on Debian 12 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 2407150-MVLA-GROMACS29
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Date
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  Test
  Duration
puvodni
July 16
  4 Minutes
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gromacsBOTHOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen 9 7950X3D 16-Core @ 4.20GHz (16 Cores / 32 Threads)Gigabyte B650 AORUS ELITE AX (F8 BIOS)AMD Device 14d84 x 32GB DDR5-5600MT/s Kingston KF560C36-322048GB KINGSTON SKC3000D2048G + 1024GB KINGSTON SKC3000S1024GASUS NVIDIA GeForce RTX 3060 12GBNVIDIA GA106 HD AudioPHL 271V8Realtek RTL8125 2.5GbE + MEDIATEK MT7922 802.11ax PCIDebian 126.1.0-22-amd64 (x86_64)GNOME Shell 43.9X Server 1.21.1.7NVIDIA 535.183.014.6.0GCC 12.2.0ext41920x1080ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionGromacsBOTH BenchmarksSystem Logs- Transparent Huge Pages: always- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,d,fortran,objc,obj-c++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-defaulted --enable-offload-targets=nvptx-none=/build/gcc-12-bTRWOB/gcc-12-12.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-12-bTRWOB/gcc-12-12.2.0/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-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 schedutil (Boost: Enabled) - CPU Microcode: 0xa601203 - gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + reg_file_data_sampling: Not affected + retbleed: Not affected + spec_rstack_overflow: Mitigation of safe RET no microcode + 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; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + 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 2024Implementation: MPI CPU - Input: water_GMX50_barepuvodni0.64461.28921.93382.57843.223SE +/- 0.008, N = 32.8651. (CXX) g++ options: -O3 -lm

Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare

puvodni: The test quit with a non-zero exit status. E: ./gromacs: 5: /cuda-build/run-gromacs: not found