GROMACS---18

Intel Xeon w9-3495X testing with a ASUS Pro WS W790E-SAGE SE (0705 BIOS) and NVIDIA GeForce RTX 4090 24GB 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 2311217-NE-GROMACS1867
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Nvidia Geforce RTX 4090 24GB
November 21 2023
  12 Minutes
Intel Xeon w9-3495X
November 21 2023
  8 Minutes
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Nvidia Geforce RTX 4090 24GB

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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0
Security Notes: itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: 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

Intel Xeon w9-3495X

Processor: Intel Xeon w9-3495X @ 4.80GHz (56 Cores / 112 Threads), Motherboard: ASUS Pro WS W790E-SAGE SE (0705 BIOS), Chipset: Intel Device 7aa7, Memory: 8 x 32 GB DDR5-4812MT/s Hynix HMCG88AEBRA115N, Disk: 6401GB Micron_9300_MTFDHAL6T4TDR + 0GB Virtual HDisk0, Graphics: NVIDIA GeForce RTX 4090 24GB, Audio: Realtek ALC1220, Network: 2 x Intel X710 for 10GBASE-T

OS: Ubuntu 22.04, Kernel: 6.3.0-060300-generic (x86_64), Desktop: GNOME Shell 42.9, Display Server: X Server 1.21.1.4, Display Driver: NVIDIA 535.129.03, OpenGL: 4.6.0, OpenCL: OpenCL 3.0 CUDA 12.2.147, Vulkan: 1.3.242, Compiler: GCC 11.4.0 + CUDA 12.1, File-System: ext4, Screen Resolution: 1920x1200

GROMACS---18OpenBenchmarking.orgPhoronix Test SuiteIntel Xeon w9-3495X @ 4.80GHz (56 Cores / 112 Threads)ASUS Pro WS W790E-SAGE SE (0705 BIOS)Intel Device 7aa78 x 32 GB DDR5-4812MT/s Hynix HMCG88AEBRA115N6401GB Micron_9300_MTFDHAL6T4TDR + 0GB Virtual HDisk0NVIDIA GeForce RTX 4090 24GBRealtek ALC12202 x Intel X710 for 10GBASE-TUbuntu 22.046.3.0-060300-generic (x86_64)GNOME Shell 42.9X Server 1.21.1.4NVIDIA 535.129.034.6.0OpenCL 3.0 CUDA 12.2.1471.3.242GCC 11.4.0 + CUDA 12.1ext41920x1200ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionGROMACS---18 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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0 - itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: 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

GROMACS---18gromacs: NVIDIA CUDA GPU - water_GMX50_baregromacs: MPI CPU - water_GMX50_bareNvidia Geforce RTX 4090 24GBIntel Xeon w9-3495X38.2792.569OpenBenchmarking.org

GROMACS

MinAvgMaxNvidia Geforce RTX 4090 24GB190023194324OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500

MinAvgMaxIntel Xeon w9-3495X42519404200OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2023Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bareNvidia Geforce RTX 4090 24GB918273645SE +/- 0.47, N = 1438.281. (CXX) g++ options: -O3
MinAvgMaxNvidia Geforce RTX 4090 24GB190023194324OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500
MinAvgMaxNvidia Geforce RTX 4090 24GB57.2199.4263.5OpenBenchmarking.orgWatts, Fewer Is BetterGROMACS 2023CPU Power Consumption Monitor701402102803501. Nvidia Geforce RTX 4090 24GB: Approximate power consumption of 11122 Joules per run.
MinAvgMaxNvidia Geforce RTX 4090 24GB59.083.987.0OpenBenchmarking.orgCelsius, Fewer Is BetterGROMACS 2023CPU Temperature Monitor20406080100

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2023Implementation: MPI CPU - Input: water_GMX50_bareIntel Xeon w9-3495X0.5781.1561.7342.3122.89SE +/- 0.025, N = 52.5691. (CXX) g++ options: -O3
MinAvgMaxIntel Xeon w9-3495X42519404200OpenBenchmarking.orgMegahertz, More Is BetterGROMACS 2023CPU Peak Freq (Highest CPU Core Frequency) Monitor11002200330044005500
MinAvgMaxIntel Xeon w9-3495X97.7210.4475.6OpenBenchmarking.orgWatts, Fewer Is BetterGROMACS 2023CPU Power Consumption Monitor1202403604806001. Intel Xeon w9-3495X: Approximate power consumption of 18684 Joules per run.
MinAvgMaxIntel Xeon w9-3495X56.083.986.0OpenBenchmarking.orgCelsius, Fewer Is BetterGROMACS 2023CPU Temperature Monitor20406080100

Nvidia Geforce RTX 4090 24GB

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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0
Security Notes: itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: 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 21 November 2023 16:27 by user root.

Intel Xeon w9-3495X

Processor: Intel Xeon w9-3495X @ 4.80GHz (56 Cores / 112 Threads), Motherboard: ASUS Pro WS W790E-SAGE SE (0705 BIOS), Chipset: Intel Device 7aa7, Memory: 8 x 32 GB DDR5-4812MT/s Hynix HMCG88AEBRA115N, Disk: 6401GB Micron_9300_MTFDHAL6T4TDR + 0GB Virtual HDisk0, Graphics: NVIDIA GeForce RTX 4090 24GB, Audio: Realtek ALC1220, Network: 2 x Intel X710 for 10GBASE-T

OS: Ubuntu 22.04, Kernel: 6.3.0-060300-generic (x86_64), Desktop: GNOME Shell 42.9, Display Server: X Server 1.21.1.4, Display Driver: NVIDIA 535.129.03, OpenGL: 4.6.0, OpenCL: OpenCL 3.0 CUDA 12.2.147, Vulkan: 1.3.242, Compiler: GCC 11.4.0 + CUDA 12.1, File-System: ext4, Screen Resolution: 1920x1200

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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0
Security Notes: itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: 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 21 November 2023 17:05 by user root.