qe-nwchem

Intel Core i7-5960X testing with a Gigabyte X99-UD4-CF (F24c BIOS) and NVIDIA GeForce 6600 GT 124MB on Debian 11 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 2201018-NE-QENWCHEM184
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BLAS (Basic Linear Algebra Sub-Routine) Tests 2 Tests
Fortran Tests 2 Tests
HPC - High Performance Computing 2 Tests
LAPACK (Linear Algebra Pack) Tests 2 Tests
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A
January 01 2022
  1 Hour, 4 Minutes
B
January 01 2022
  14 Minutes
C
January 01 2022
 
D
January 01 2022
  42 Minutes
E
January 01 2022
  42 Minutes
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A

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

B

C

D

E

Processor: Intel Core i7-5960X @ 3.50GHz (8 Cores / 16 Threads), Motherboard: Gigabyte X99-UD4-CF (F24c BIOS), Chipset: Intel Xeon E7 v3/Xeon, Memory: 32GB, Disk: 120GB INTEL SSDSC2BW12, Graphics: NVIDIA GeForce 6600 GT 124MB, Audio: Realtek ALC1150, Network: Intel I218-V

OS: Debian 11, Kernel: 5.10.0-10-amd64 (x86_64), Vulkan: 1.0.2, Compiler: GCC 10.2.1 20210110, File-System: ext4

qe-nwchem OpenBenchmarking.orgPhoronix Test SuiteIntel Core i7-5960X @ 3.50GHz (8 Cores / 16 Threads)Gigabyte X99-UD4-CF (F24c BIOS)Intel Xeon E7 v3/Xeon32GB120GB INTEL SSDSC2BW12NVIDIA GeForce 6600 GT 124MBRealtek ALC1150Intel I218-VDebian 115.10.0-10-amd64 (x86_64)1.0.2GCC 10.2.1 20210110ext4ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelVulkanCompilerFile-SystemQe-nwchem BenchmarksSystem Logs- Transparent Huge Pages: always- --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d- itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional 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.

A: The test quit with a non-zero exit status. E: MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0

Quantum ESPRESSO

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterQuantum ESPRESSO 7.0Input: AUSURF112ABDE2004006008001000SE +/- 7.06, N = 3SE +/- 0.16, N = 3826.57832.79828.64837.231. (F9X) gfortran options: -pthread -fopenmp -ldevXlib -lopenblas -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -lfftw3_omp -lfftw3 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -ldl -levent_core -levent_pthreads -lutil -lm -lrt -lz
OpenBenchmarking.orgSeconds, Fewer Is BetterQuantum ESPRESSO 7.0Input: AUSURF112ABDE150300450600750Min: 814.6 / Avg: 828.64 / Max: 836.99Min: 836.96 / Avg: 837.23 / Max: 837.511. (F9X) gfortran options: -pthread -fopenmp -ldevXlib -lopenblas -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -lfftw3_omp -lfftw3 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -ldl -levent_core -levent_pthreads -lutil -lm -lrt -lz

A

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 1 January 2022 10:47 by user root.

B

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 1 January 2022 11:51 by user root.

C

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 1 January 2022 12:18 by user root.

D

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 1 January 2022 12:40 by user root.

E

Processor: Intel Core i7-5960X @ 3.50GHz (8 Cores / 16 Threads), Motherboard: Gigabyte X99-UD4-CF (F24c BIOS), Chipset: Intel Xeon E7 v3/Xeon, Memory: 32GB, Disk: 120GB INTEL SSDSC2BW12, Graphics: NVIDIA GeForce 6600 GT 124MB, Audio: Realtek ALC1150, Network: Intel I218-V

OS: Debian 11, Kernel: 5.10.0-10-amd64 (x86_64), Vulkan: 1.0.2, Compiler: GCC 10.2.1 20210110, File-System: ext4

Kernel Notes: Transparent Huge Pages: always
Compiler Notes: --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/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-build-config=bootstrap-lto-lean --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: intel_cpufreq schedutil - CPU Microcode: 0x3d
Security Notes: itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

Testing initiated at 1 January 2022 13:21 by user root.