namd gromacs zen 4 AMD Ryzen 9 7950X 16-Core testing with a ASUS ROG STRIX X670E-E GAMING WIFI (1416 BIOS) and AMD Radeon RX 7900 XTX on Ubuntu 22.04 via the Phoronix Test Suite.
HTML result view exported from: https://openbenchmarking.org/result/2402163-PTS-NAMDGROM13&rdt&grt .
namd gromacs zen 4 Processor Motherboard Chipset Memory Disk Graphics Audio Monitor Network OS Kernel Desktop Display Server OpenGL Vulkan Compiler File-System Screen Resolution a AMD Ryzen 9 7950X 16-Core c d AMD Ryzen 9 7950X 16-Core @ 5.88GHz (16 Cores / 32 Threads) ASUS ROG STRIX X670E-E GAMING WIFI (1416 BIOS) AMD Device 14d8 2 x 16GB DRAM-6000MT/s G Skill F5-6000J3038F16G 2000GB Samsung SSD 980 PRO 2TB AMD Radeon RX 7900 XTX (2304/1249MHz) AMD Device ab30 DELL U2723QE Intel I225-V + Intel Wi-Fi 6 AX210/AX211/AX411 Ubuntu 22.04 6.5.0-17-generic (x86_64) GNOME Shell 42.9 X Server 1.21.1.4 + Wayland 4.6 Mesa 23.0.4-0ubuntu1~22.04.1 (LLVM 15.0.7 DRM 3.54) 1.3.238 GCC 11.4.0 ext4 3840x2160 OpenBenchmarking.org Kernel Details - Transparent Huge Pages: madvise Compiler 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: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203 Security Details - gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: 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 + srbds: Not affected + tsx_async_abort: Not affected
namd gromacs zen 4 gromacs: MPI CPU - water_GMX50_bare namd: ATPase with 327,506 Atoms namd: STMV with 1,066,628 Atoms a AMD Ryzen 9 7950X 16-Core c d 2.623 2.87659 0.76461 2.623 2.79353 0.76141 2.628 2.83289 0.75940 2.639 2.85291 0.75465 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 a AMD Ryzen 9 7950X 16-Core c d 0.5938 1.1876 1.7814 2.3752 2.969 SE +/- 0.002, N = 3 SE +/- 0.004, N = 3 SE +/- 0.005, N = 3 SE +/- 0.004, N = 3 2.623 2.623 2.628 2.639 1. (CXX) g++ options: -O3 -lm
NAMD Input: ATPase with 327,506 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0b6 Input: ATPase with 327,506 Atoms a AMD Ryzen 9 7950X 16-Core c d 0.6472 1.2944 1.9416 2.5888 3.236 SE +/- 0.00958, N = 3 SE +/- 0.03691, N = 12 SE +/- 0.03075, N = 5 SE +/- 0.03423, N = 4 2.87659 2.79353 2.83289 2.85291
NAMD Input: STMV with 1,066,628 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0b6 Input: STMV with 1,066,628 Atoms a AMD Ryzen 9 7950X 16-Core c d 0.172 0.344 0.516 0.688 0.86 SE +/- 0.00149, N = 3 SE +/- 0.00209, N = 3 SE +/- 0.00248, N = 3 SE +/- 0.00492, N = 3 0.76461 0.76141 0.75940 0.75465
Phoronix Test Suite v10.8.5