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.
HTML result view exported from: https://openbenchmarking.org/result/2407150-MVLA-GROMACS29&grt .
gromacsBOTH Processor Motherboard Chipset Memory Disk Graphics Audio Monitor Network OS Kernel Desktop Display Server Display Driver OpenGL Compiler File-System Screen Resolution puvodni AMD Ryzen 9 7950X3D 16-Core @ 4.20GHz (16 Cores / 32 Threads) Gigabyte B650 AORUS ELITE AX (F8 BIOS) AMD Device 14d8 4 x 32GB DDR5-5600MT/s Kingston KF560C36-32 2048GB KINGSTON SKC3000D2048G + 1024GB KINGSTON SKC3000S1024G ASUS NVIDIA GeForce RTX 3060 12GB NVIDIA GA106 HD Audio PHL 271V8 Realtek RTL8125 2.5GbE + MEDIATEK MT7922 802.11ax PCI Debian 12 6.1.0-22-amd64 (x86_64) GNOME Shell 43.9 X Server 1.21.1.7 NVIDIA 535.183.01 4.6.0 GCC 12.2.0 ext4 1920x1080 OpenBenchmarking.org - 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
gromacsBOTH gromacs: MPI CPU - water_GMX50_bare gromacs: NVIDIA CUDA GPU - water_GMX50_bare Standard Error Standard Deviation puvodni 2.865 0.01 0.49% OpenBenchmarking.org
GROMACS Implementation: MPI CPU - Input: water_GMX50_bare OpenBenchmarking.org Ns Per Day, More Is Better GROMACS 2024 Implementation: MPI CPU - Input: water_GMX50_bare puvodni 0.6446 1.2892 1.9338 2.5784 3.223 SE +/- 0.008, N = 3 2.865 1. (CXX) g++ options: -O3 -lm
Phoronix Test Suite v10.8.5