gromacsbenchmark

2 x Intel Xeon Gold 6430 testing with a Giga Computing R283-S91-AAE2-000 MS93-FS0-000 v03010100 (F13 BIOS) and ASPEED 12GB on Red Hat Enterprise Linux 8.10 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 2501038-RAMB-GROMACS23
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January 03
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January 03
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January 03
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gromacsbenchmarkOpenBenchmarking.orgPhoronix Test Suite2 x Intel Xeon Gold 6430 @ 3.40GHz (64 Cores)Giga Computing R283-S91-AAE2-000 MS93-FS0-000 v03010100 (F13 BIOS)Intel Device 1bce256GB4001GB Seagate IronWolfASPEED 12GBNVIDIA GA106 HD Audio2 x Intel I350 + 2 x Broadcom BCM57508 NetXtreme-E 10Gb/25Gb/40Gb/50Gb/100Gb/200Gb + 2 x Intel 10-Gigabit X540-AT2Red Hat Enterprise Linux 8.104.18.0-553.16.1.el8_10.x86_64 (x86_64)X Server 1.20.11NVIDIAOpenCL 3.0 CUDA 12.6.65CUDA 12.2GCC 12.2.0 + CUDA 12.6nfs1024x768ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDisplay ServerDisplay DriverOpenCLCompilersFile-SystemScreen ResolutionGromacsbenchmark PerformanceSystem Logs- Transparent Huge Pages: always- ATP_CFLAGS= SQLITE_CFLAGS=-I/home/users/deepikahv/local/sqlite/include ATP_CFLAGS_GNU_FORTRAN=-fno-backtrace- --build=x86_64-redhat-linux --disable-multilib --disable-nls --enable-__cxa_atexit --enable-languages=c,c++,fortran --enable-shared --with-cloog --with-ppl --with-slibdir=/opt/cray/pe/gcc/12.2.0/snos/lib - Scaling Governor: intel_pstate performance (EPP: performance) - CPU Microcode: 0x2b0004d0- 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: 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; BHI: BHI_DIS_S + srbds: Not affected + tsx_async_abort: Not affected

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_barefirst_runsecond_run3691215SE +/- 0.014, N = 3SE +/- 0.027, N = 39.1549.1431. (CXX) g++ options: -lcudadevrt -lcudart_static -lrt -lpthread -ldl

Implementation: MPI CPU - Input: water_GMX50_bare

first run: The test quit with a non-zero exit status. E: /mpi-build/run-gromacs: line 3: mpirun: command not found