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.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2402163-PTS-NAMDGROM13
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a
February 16
  10 Minutes
AMD Ryzen 9 7950X 16-Core
February 16
  11 Minutes
c
February 16
  9 Minutes
d
February 16
  9 Minutes
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a

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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 Notes: Scaling Governor: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203
Security Notes: 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

AMD Ryzen 9 7950X 16-Core

c

d

Processor: AMD Ryzen 9 7950X 16-Core @ 5.88GHz (16 Cores / 32 Threads), Motherboard: ASUS ROG STRIX X670E-E GAMING WIFI (1416 BIOS), Chipset: AMD Device 14d8, Memory: 2 x 16GB DRAM-6000MT/s G Skill F5-6000J3038F16G, Disk: 2000GB Samsung SSD 980 PRO 2TB, Graphics: AMD Radeon RX 7900 XTX (2304/1249MHz), Audio: AMD Device ab30, Monitor: DELL U2723QE, Network: Intel I225-V + Intel Wi-Fi 6 AX210/AX211/AX411

OS: Ubuntu 22.04, Kernel: 6.5.0-17-generic (x86_64), Desktop: GNOME Shell 42.9, Display Server: X Server 1.21.1.4 + Wayland, OpenGL: 4.6 Mesa 23.0.4-0ubuntu1~22.04.1 (LLVM 15.0.7 DRM 3.54), Vulkan: 1.3.238, Compiler: GCC 11.4.0, File-System: ext4, Screen Resolution: 3840x2160

namd gromacs zen 4OpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen 9 7950X 16-Core @ 5.88GHz (16 Cores / 32 Threads)ASUS ROG STRIX X670E-E GAMING WIFI (1416 BIOS)AMD Device 14d82 x 16GB DRAM-6000MT/s G Skill F5-6000J3038F16G2000GB Samsung SSD 980 PRO 2TBAMD Radeon RX 7900 XTX (2304/1249MHz)AMD Device ab30DELL U2723QEIntel I225-V + Intel Wi-Fi 6 AX210/AX211/AX411Ubuntu 22.046.5.0-17-generic (x86_64)GNOME Shell 42.9X Server 1.21.1.4 + Wayland4.6 Mesa 23.0.4-0ubuntu1~22.04.1 (LLVM 15.0.7 DRM 3.54)1.3.238GCC 11.4.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerOpenGLVulkanCompilerFile-SystemScreen ResolutionNamd Gromacs Zen 4 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: amd-pstate-epp powersave (EPP: balance_performance) - 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 + 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

aAMD Ryzen 9 7950X 16-CorecdResult OverviewPhoronix Test Suite100%101%102%102%NAMDNAMDGROMACSA.w.3.5.AS.w.1.0.6.AMPI CPU - water_GMX50_bare

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: ATPase with 327,506 AtomsaAMD Ryzen 9 7950X 16-Corecd0.64721.29441.94162.58883.236SE +/- 0.00958, N = 3SE +/- 0.03691, N = 12SE +/- 0.03075, N = 5SE +/- 0.03423, N = 42.876592.793532.832892.85291
OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: ATPase with 327,506 AtomsaAMD Ryzen 9 7950X 16-Corecd246810Min: 2.86 / Avg: 2.88 / Max: 2.9Min: 2.4 / Avg: 2.79 / Max: 2.86Min: 2.74 / Avg: 2.83 / Max: 2.9Min: 2.75 / Avg: 2.85 / Max: 2.9

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 AtomsaAMD Ryzen 9 7950X 16-Corecd0.1720.3440.5160.6880.86SE +/- 0.00149, N = 3SE +/- 0.00209, N = 3SE +/- 0.00248, N = 3SE +/- 0.00492, N = 30.764610.761410.759400.75465
OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 AtomsaAMD Ryzen 9 7950X 16-Corecd246810Min: 0.76 / Avg: 0.76 / Max: 0.77Min: 0.76 / Avg: 0.76 / Max: 0.76Min: 0.76 / Avg: 0.76 / Max: 0.76Min: 0.74 / Avg: 0.75 / Max: 0.76

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_bareaAMD Ryzen 9 7950X 16-Corecd0.59381.18761.78142.37522.969SE +/- 0.002, N = 3SE +/- 0.004, N = 3SE +/- 0.005, N = 3SE +/- 0.004, N = 32.6232.6232.6282.6391. (CXX) g++ options: -O3 -lm
OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2024Implementation: MPI CPU - Input: water_GMX50_bareaAMD Ryzen 9 7950X 16-Corecd246810Min: 2.62 / Avg: 2.62 / Max: 2.63Min: 2.61 / Avg: 2.62 / Max: 2.63Min: 2.62 / Avg: 2.63 / Max: 2.64Min: 2.64 / Avg: 2.64 / Max: 2.651. (CXX) g++ options: -O3 -lm

a

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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 Notes: Scaling Governor: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203
Security Notes: 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

Testing initiated at 16 February 2024 13:26 by user pts.

AMD Ryzen 9 7950X 16-Core

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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 Notes: Scaling Governor: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203
Security Notes: 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

Testing initiated at 16 February 2024 13:36 by user pts.

c

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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 Notes: Scaling Governor: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203
Security Notes: 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

Testing initiated at 16 February 2024 13:54 by user pts.

d

Processor: AMD Ryzen 9 7950X 16-Core @ 5.88GHz (16 Cores / 32 Threads), Motherboard: ASUS ROG STRIX X670E-E GAMING WIFI (1416 BIOS), Chipset: AMD Device 14d8, Memory: 2 x 16GB DRAM-6000MT/s G Skill F5-6000J3038F16G, Disk: 2000GB Samsung SSD 980 PRO 2TB, Graphics: AMD Radeon RX 7900 XTX (2304/1249MHz), Audio: AMD Device ab30, Monitor: DELL U2723QE, Network: Intel I225-V + Intel Wi-Fi 6 AX210/AX211/AX411

OS: Ubuntu 22.04, Kernel: 6.5.0-17-generic (x86_64), Desktop: GNOME Shell 42.9, Display Server: X Server 1.21.1.4 + Wayland, OpenGL: 4.6 Mesa 23.0.4-0ubuntu1~22.04.1 (LLVM 15.0.7 DRM 3.54), Vulkan: 1.3.238, Compiler: GCC 11.4.0, File-System: ext4, Screen Resolution: 3840x2160

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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 Notes: Scaling Governor: amd-pstate-epp powersave (EPP: balance_performance) - CPU Microcode: 0xa601203
Security Notes: 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

Testing initiated at 16 February 2024 14:39 by user pts.