cp2k turin

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 2410116-NE-CP2KTURIN55
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a
October 11
  13 Minutes
b
October 11
  13 Minutes
c
October 11
  5 Minutes
d
October 11
  5 Minutes
e
October 11
  5 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-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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

b

c

d

e

Processor: 2 x AMD EPYC 9755 128-Core @ 2.70GHz (256 Cores / 512 Threads), Motherboard: AMD VOLCANO (RVOT1001B BIOS), Chipset: AMD Device 153a, Memory: 1520GB, Disk: 512GB SAMSUNG MZVL2512HCJQ-00B00 + 3201GB Micron_7450_MTFDKCB3T2TFS, Graphics: ASPEED, Network: Broadcom NetXtreme BCM5720 PCIe

OS: Ubuntu 24.04, Kernel: 6.8.0-45-generic (x86_64), Compiler: GCC 13.2.0 + Clang 18.1.3, File-System: ext4, Screen Resolution: 1920x1200

cp2k turinOpenBenchmarking.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 ResolutionCp2k Turin 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

abcdeResult OverviewPhoronix Test Suite100%100%101%101%101%CP2K Molecular DynamicsCP2K Molecular DynamicsCP2K Molecular DynamicsH20-256H20-64Fayalite-FIST

CP2K Molecular Dynamics

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: H20-64abcde48121620SE +/- 0.07, N = 3SE +/- 0.11, N = 314.0614.2014.0214.1214.201. (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

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: H20-256abcde306090120150SE +/- 0.07, N = 3SE +/- 0.38, N = 3138.89139.49138.31137.73138.621. (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

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2024.3Input: Fayalite-FISTabcde20406080100SE +/- 0.25, N = 3SE +/- 0.08, N = 378.1878.2778.4778.2578.411. (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

a

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

Testing initiated at 11 October 2024 20:13 by user amd.

b

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

Testing initiated at 11 October 2024 20:31 by user amd.

c

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

Testing initiated at 11 October 2024 20:45 by user amd.

d

Kernel Notes: Transparent Huge Pages: madvise
Compiler Notes: --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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

Testing initiated at 11 October 2024 20:52 by user amd.

e

Processor: 2 x AMD EPYC 9755 128-Core @ 2.70GHz (256 Cores / 512 Threads), Motherboard: AMD VOLCANO (RVOT1001B BIOS), Chipset: AMD Device 153a, Memory: 1520GB, Disk: 512GB SAMSUNG MZVL2512HCJQ-00B00 + 3201GB Micron_7450_MTFDKCB3T2TFS, Graphics: ASPEED, Network: Broadcom NetXtreme BCM5720 PCIe

OS: Ubuntu 24.04, Kernel: 6.8.0-45-generic (x86_64), Compiler: GCC 13.2.0 + Clang 18.1.3, 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-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
Processor Notes: Scaling Governor: acpi-cpufreq performance (Boost: Enabled) - CPU Microcode: 0xb002116
Python Notes: Python 3.12.3
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 + 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

Testing initiated at 11 October 2024 20:57 by user amd.