256 cp2k

2 x AMD EPYC 9755 128-Core testing with a AMD VOLCANO (RVOT1001B BIOS) and ASPEED on Ubuntu 24.04 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 2410128-NE-256CP2K3649
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Performance Per
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Date
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  Duration
a
October 12
  8 Minutes
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256 cp2kOpenBenchmarking.orgPhoronix Test Suite2 x AMD EPYC 9755 128-Core @ 2.70GHz (256 Cores / 512 Threads)AMD VOLCANO (RVOT1001B BIOS)AMD Device 153a1520GB512GB SAMSUNG MZVL2512HCJQ-00B00 + 3201GB Micron_7450_MTFDKCB3T2TFSASPEEDBroadcom NetXtreme BCM5720 PCIeUbuntu 24.046.8.0-45-generic (x86_64)GCC 13.2.0 + Clang 18.1.3ext41920x1200ProcessorMotherboardChipsetMemoryDiskGraphicsNetworkOSKernelCompilerFile-SystemScreen Resolution256 Cp2k BenchmarksSystem Logs- Transparent Huge Pages: madvise- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --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-backtrace --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-defaulted --enable-offload-targets=nvptx-none=/build/gcc-13-uJ7kn6/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-uJ7kn6/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-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: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116- Python 3.12.3- 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: Vulnerable + spectre_v1: Vulnerable: __user pointer sanitization and usercopy barriers only; no swapgs barriers + spectre_v2: Vulnerable; IBPB: disabled; STIBP: disabled; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

CP2K Molecular Dynamics

MinAvgMaxa36.460.364.5OpenBenchmarking.orgCelsius, Fewer Is BetterCP2K Molecular Dynamics 2024.3CPU Temperature Monitor20406080100

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: H20-256a306090120150SE +/- 0.25, N = 3138.861. (F9X) gfortran options: -fopenmp -march=native -mtune=native -O3 -funroll-loops -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -l:libhdf5_fortran.a -l:libhdf5.a -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -llibgrpp -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -l:libopenblas.a -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lm