nwchem epyc naples

2 x AMD EPYC 7601 32-Core testing with a Dell 02MJ3T (1.2.5 BIOS) and llvmpipe 504GB on Ubuntu 19.10 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 2005257-NI-NWCHEMEPY72
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Result
Identifier
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Performance Per
Dollar
Date
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  Test
  Duration
2 x AMD EPYC 7601 32-Core
May 25 2020
  1 Hour, 40 Minutes


nwchem epyc naplesOpenBenchmarking.orgPhoronix Test Suite2 x AMD EPYC 7601 32-Core (64 Cores / 128 Threads)Dell 02MJ3T (1.2.5 BIOS)AMD 17h504GB280GB INTEL SSDPED1D280GA + 12 x 500GB Samsung SSD 860 + 120GB SSDSCKJB120G7Rllvmpipe 504GBVE2282 x Broadcom BCM57416 NetXtreme-E Dual-Media 10G RDMA + 2 x Broadcom NetXtreme BCM5720 2-port PCIeUbuntu 19.105.5.0-rc7-phx-k10temp7 (x86_64) 20200123GNOME Shell 3.34.1X Server 1.20.5modesetting 1.20.53.3 Mesa 19.2.8 (LLVM 9.0 128 bits)GCC 9.2.1 20191008ext41600x1200ProcessorMotherboardChipsetMemoryDiskGraphicsMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionNwchem Epyc Naples PerformanceSystem Logs- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --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-offload-targets=nvptx-none,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 - CPU Microcode: 0x8001227- 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 STIBP: disabled RSB filling + tsx_async_abort: Not affected

NWChem

NWChem is an open-source high performance computational chemistry package. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0Input: C240 Buckyball2 x AMD EPYC 7601 32-Core130026003900520065005953.41. (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