testnwchem

AMD EPYC 7452 32-Core testing with a Supermicro H12DSI-NT6 v1.02 (2.4 BIOS) and ASPEED on Ubuntu 20.04 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 2301295-NE-TESTNWCHE72
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Result
Identifier
Performance Per
Dollar
Date
Run
  Test
  Duration
AMD EPYC 7452 32-Core
January 29 2023
  1 Hour


testnwchemOpenBenchmarking.orgPhoronix Test SuiteAMD EPYC 7452 32-Core @ 2.35GHz (32 Cores)Supermicro H12DSI-NT6 v1.02 (2.4 BIOS)AMD Starship/Matisse128GB512GB SabrentASPEED2 x Broadcom BCM57416 NetXtreme-E Dual-Media 10G RDMAUbuntu 20.045.4.0-91-generic (x86_64)GNOME Shell 3.36.9X Server 1.20.134.5 Mesa 21.0.3 (LLVM 12.0.0 256 bits)1.0.2GCC 9.4.0ext41024x768ProcessorMotherboardChipsetMemoryDiskGraphicsNetworkOSKernelDesktopDisplay ServerOpenGLVulkanCompilerFile-SystemScreen ResolutionTestnwchem BenchmarksSystem Logs- Transparent Huge Pages: madvise- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --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++,gm2 --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-9-Av3uEd/gcc-9-9.4.0/debian/tmp-nvptx/usr,hsa --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 ondemand (Boost: Enabled) - CPU Microcode: 0x8301055 - itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + spec_store_bypass: Mitigation of SSB disabled via prctl and seccomp + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Full AMD retpoline IBPB: conditional IBRS_FW STIBP: disabled RSB filling + srbds: Not affected + tsx_async_abort: Not affected

NWChem

NWChem is an open-source high performance computational chemistry package. Per NWChem's documentation, "NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters." Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0.2Input: C240 BuckyballAMD EPYC 7452 32-Core80016002400320040003566.81. (F9X) gfortran options: -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lga -larmci -lpeigs -l64to32 -lopenblas -lpthread -lrt -llapack -lnwcblas -lmpi_usempif08 -lmpi_mpifh -lmpi -lcomex -lm -m64 -ffast-math -std=legacy -fdefault-integer-8 -finline-functions -O2