cp2k EPYC Turin

2 x AMD EPYC 9575F 64-Core testing with a AMD VOLCANO (RVOT1000D BIOS) and ASPEED on Ubuntu 24.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2410124-NE-CP2KEPYCT46&grs.

cp2k EPYC TurinProcessorMotherboardChipsetMemoryDiskGraphicsNetworkOSKernelCompilerFile-SystemScreen Resolutionabcdefghi2 x AMD EPYC 9965 192-Core @ 3.70GHz (384 Cores / 768 Threads)AMD VOLCANO (RVOT1000D BIOS)AMD Device 153a1520GB2 x 3841GB SAMSUNG MZWLO3T8HCLS-00A07ASPEEDBroadcom NetXtreme BCM5720 PCIeUbuntu 24.046.8.12-powercap-1ah-patched (x86_64)GCC 13.2.0ext41920x12002 x AMD EPYC 9575F 64-Core @ 5.01GHz (128 Cores / 256 Threads)OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseCompiler Details- --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-OiuXZC/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-OiuXZC/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 Processor Details- a: Scaling Governor: amd-pstate-epp powersave (EPP: power) - CPU Microcode: 0xb101018- b: Scaling Governor: amd-pstate-epp powersave (EPP: power) - CPU Microcode: 0xb101018- c: Scaling Governor: amd-pstate-epp powersave (EPP: power) - CPU Microcode: 0xb101018- d: Scaling Governor: amd-pstate-epp powersave (EPP: power) - CPU Microcode: 0xb101018- e: Scaling Governor: amd-pstate-epp powersave (EPP: power) - CPU Microcode: 0xb101018- f: Scaling Governor: amd-pstate-epp performance (EPP: performance) - CPU Microcode: 0xb002110- g: Scaling Governor: amd-pstate-epp performance (EPP: performance) - CPU Microcode: 0xb002110- h: Scaling Governor: amd-pstate-epp performance (EPP: performance) - CPU Microcode: 0xb002110- i: Scaling Governor: amd-pstate-epp performance (EPP: performance) - CPU Microcode: 0xb002110Python Details- Python 3.12.2Security Details- 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; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

cp2k EPYC Turincp2k: Fayalite-FISTcp2k: H20-64cp2k: H20-256abcdefghi132.91721.505168.392132.43321.214169.04621.310169.048132.46621.303168.804132.25621.409168.04859.33913.085113.22859.20813.123112.88059.33613.019113.50559.48613.082113.336OpenBenchmarking.org

CP2K Molecular Dynamics

Input: Fayalite-FIST

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: Fayalite-FISTabdefghi306090120150SE +/- 0.28, N = 3SE +/- 0.30, N = 3SE +/- 0.96, N = 3SE +/- 0.82, N = 3SE +/- 0.09, N = 3SE +/- 0.16, N = 3SE +/- 0.09, N = 3132.92132.43132.47132.2659.3459.2159.3459.491. (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

CP2K Molecular Dynamics

Input: H20-64

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: H20-64abcdefghi510152025SE +/- 0.18, N = 8SE +/- 0.03, N = 3SE +/- 0.06, N = 3SE +/- 0.05, N = 3SE +/- 0.02, N = 3SE +/- 0.06, N = 3SE +/- 0.08, N = 3SE +/- 0.05, N = 321.5121.2121.3121.3021.4113.0913.1213.0213.081. (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

CP2K Molecular Dynamics

Input: H20-256

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: H20-256abcdefghi4080120160200SE +/- 1.13, N = 3SE +/- 0.72, N = 3SE +/- 0.37, N = 3SE +/- 0.19, N = 3SE +/- 0.60, N = 3SE +/- 0.30, N = 3SE +/- 0.28, N = 3SE +/- 0.24, N = 3168.39169.05169.05168.80168.05113.23112.88113.51113.341. (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

Phoronix Test Suite v10.8.5