namd gromacs raptor lake refresh

Intel Core i9-14900K testing with a ASUS PRIME Z790-P WIFI (1402 BIOS) and ASUS Intel RPL-S 31GB on Ubuntu 23.10 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 2402162-PTS-NAMDGROM11
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February 16
  16 Minutes
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  18 Minutes
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  21 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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4
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: 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

h

c

d

Processor: Intel Core i9-14900K @ 5.70GHz (24 Cores / 32 Threads), Motherboard: ASUS PRIME Z790-P WIFI (1402 BIOS), Chipset: Intel Device 7a27, Memory: 2 x 16GB DRAM-6000MT/s Corsair CMK32GX5M2B6000C36, Disk: Western Digital WD_BLACK SN850X 1000GB, Graphics: ASUS Intel RPL-S 31GB (1650MHz), Audio: Realtek ALC897, Monitor: ASUS VP28U

OS: Ubuntu 23.10, Kernel: 6.7.0-060700rc7daily20231224-generic (x86_64), Desktop: GNOME Shell 45.1, Display Server: X Server 1.21.1.7, OpenGL: 4.6 Mesa 24.0~git2312240600.c05261~oibaf~m (git-c05261a 2023-12-24 mantic-oibaf-ppa), OpenCL: OpenCL 3.0, Compiler: GCC 13.2.0, File-System: ext4, Screen Resolution: 1920x1080

namd gromacs raptor lake refreshOpenBenchmarking.orgPhoronix Test SuiteIntel Core i9-14900K @ 5.70GHz (24 Cores / 32 Threads)ASUS PRIME Z790-P WIFI (1402 BIOS)Intel Device 7a272 x 16GB DRAM-6000MT/s Corsair CMK32GX5M2B6000C36Western Digital WD_BLACK SN850X 1000GBASUS Intel RPL-S 31GB (1650MHz)Realtek ALC897ASUS VP28UUbuntu 23.106.7.0-060700rc7daily20231224-generic (x86_64)GNOME Shell 45.1X Server 1.21.1.74.6 Mesa 24.0~git2312240600.c05261~oibaf~m (git-c05261a 2023-12-24 mantic-oibaf-ppa)OpenCL 3.0GCC 13.2.0ext41920x1080ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorOSKernelDesktopDisplay ServerOpenGLOpenCLCompilerFile-SystemScreen ResolutionNamd Gromacs Raptor Lake Refresh 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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: 0x11d - Thermald 2.5.4- 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: 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

ahcdResult OverviewPhoronix Test Suite100%101%101%102%NAMDNAMDGROMACSS.w.1.0.6.AA.w.3.5.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 Atomshdca0.35390.70781.06171.41561.7695SE +/- 0.01210, N = 10SE +/- 0.01179, N = 15SE +/- 0.00685, N = 31.549061.572671.567481.55166

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 Atomshdca0.10610.21220.31830.42440.5305SE +/- 0.00303, N = 3SE +/- 0.00183, N = 3SE +/- 0.00202, N = 30.465380.471650.465790.45940

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_barehdca0.26120.52240.78361.04481.306SE +/- 0.002, N = 3SE +/- 0.002, N = 3SE +/- 0.001, N = 31.1571.1611.1581.1561. (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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4
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: 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

Testing initiated at 16 February 2024 19:25 by user pts.

h

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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4
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: 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

Testing initiated at 16 February 2024 19:54 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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4
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: 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

Testing initiated at 16 February 2024 20:39 by user pts.

d

Processor: Intel Core i9-14900K @ 5.70GHz (24 Cores / 32 Threads), Motherboard: ASUS PRIME Z790-P WIFI (1402 BIOS), Chipset: Intel Device 7a27, Memory: 2 x 16GB DRAM-6000MT/s Corsair CMK32GX5M2B6000C36, Disk: Western Digital WD_BLACK SN850X 1000GB, Graphics: ASUS Intel RPL-S 31GB (1650MHz), Audio: Realtek ALC897, Monitor: ASUS VP28U

OS: Ubuntu 23.10, Kernel: 6.7.0-060700rc7daily20231224-generic (x86_64), Desktop: GNOME Shell 45.1, Display Server: X Server 1.21.1.7, OpenGL: 4.6 Mesa 24.0~git2312240600.c05261~oibaf~m (git-c05261a 2023-12-24 mantic-oibaf-ppa), OpenCL: OpenCL 3.0, Compiler: GCC 13.2.0, File-System: ext4, Screen Resolution: 1920x1080

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,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-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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-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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4
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: 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

Testing initiated at 16 February 2024 21:02 by user pts.