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.

HTML result view exported from: https://openbenchmarking.org/result/2005257-NI-NWCHEMEPY72.

nwchem epyc naplesProcessorMotherboardChipsetMemoryDiskGraphicsMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen Resolution2 x AMD EPYC 7601 32-Core2 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 20191008ext41600x1200OpenBenchmarking.org- --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 epyc naplesnwchem: C240 Buckyball2 x AMD EPYC 7601 32-Core5953.4OpenBenchmarking.org

NWChem

Input: C240 Buckyball

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

Phoronix Test Suite v10.8.4