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| Metric | r0 | r1 | r2 | |
|---|---|---|---|---|
| Total Time (s) | 92.89 | 100.88 | 93.28 | |
| Profiled Time (s) | 80.55 | 86.33 | 80.68 | |
| GFLOPS | 661.923 | 581.079 | 617.002 | |
| Time in analyzed loops (%) | 65.1 | 71.0 | 68.5 | |
| Time in analyzed innermost loops (%) | 64.8 | 70.8 | 67.0 | |
| Time in user code (%) | 64.6 | 71.4 | 68.0 | |
| Compilation Options Score (%) | 100 | 99.9 | 100 | |
| Array Access Efficiency (%) | 94.9 | 92.9 | 95.4 | |
| Potential Speedups | ||||
| Perfect Flow Complexity | 1.00 | 1.02 | 1.00 | |
| Perfect OpenMP + MPI + Pthread | 1.02 | 1.00 | 1.02 | |
| Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.07 | 1.05 | 1.06 | |
| No Scalar Integer | Potential Speedup | 1.03 | 1.02 | 1.04 |
| Nb Loops to get 80% | 3 | 1 | 3 | |
| FP Vectorised | Potential Speedup | 1.30 | 1.34 | 1.29 |
| Nb Loops to get 80% | 3 | 3 | 3 | |
| Fully Vectorised | Potential Speedup | 1.85 | 1.98 | 1.93 |
| Nb Loops to get 80% | 6 | 5 | 7 | |
| Only FP Arithmetic | Potential Speedup | 1.09 | 1.11 | 1.12 |
| Nb Loops to get 80% | 4 | 3 | 5 | |
| Source Object | Issue |
|---|---|
| ▼exec | |
| ▼RealSpacePositionsOMPTarget.h | |
| ○ | |
| ▼TwoBodyJastrowRef.h | |
| ○ | |
| ▼NewTimer.cpp | |
| ○ | |
| ▼SoaDistanceTableABOMPTarget.h | |
| ○ | |
| ▼DiracMatrix.h | |
| ○ | |
| ▼ParticleSet.cpp | |
| ○ | |
| ▼NonLocalPP.hpp | |
| ○ | |
| ▼OhmmsVector.h | |
| ○ | |
| ▼ParticleBConds3DSoa.h | |
| ○ | |
| ▼DiracDeterminantRef.cpp | |
| ○ | |
| ▼einspline_spo_ref.hpp | |
| ○ | |
| ▼SoaDistanceTableAAOMPTarget.h | |
| ○ | |
| ▼SPOSet.h | |
| ○ | |
| ▼OneBodyJastrowRef.h | |
| ○ | |
| ▼BsplineFunctor.h | |
| ○ | |
| ▼miniqmc.cpp | |
| ○ | |
| ▼WaveFunction.cpp | |
| ○ |
| r0 | r1 | r2 | |
|---|---|---|---|
| Experiment Name | |||
| Application | /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/defaults/orig/exec | /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/binaries/gcc_11/exec | /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/binaries/icx_1/exec |
| Timestamp | 2024-04-27 01:23:02 | 2024-04-27 04:32:36 | 2024-04-27 04:30:14 |
| Experiment Type | MPI; OpenMP; | same as r0 | same as r0 |
| Machine | o404 | same as r0 | same as r0 |
| Architecture | x86_64 | same as r0 | same as r0 |
| Micro Architecture | SAPPHIRE_RAPIDS | same as r0 | same as r0 |
| Model Name | Intel (R) Xeon (R) CPU Max 9480 | same as r0 | same as r0 |
| Cache Size | 115200 KB | same as r0 | same as r0 |
| Number of Cores | 56 | same as r0 | same as r0 |
| Maximal Frequency | 1.901 GHz | same as r0 | same as r0 |
| OS Version | Linux 4.18.0-477.27.1.el8_8.x86_64 #1 SMP Thu Aug 31 10:29:22 EDT 2023 | same as r0 | same as r0 |
| Architecture used during static analysis | x86_64 | same as r0 | same as r0 |
| Micro Architecture used during static analysis | SAPPHIRE_RAPIDS | same as r0 | same as r0 |
| Compilation Options | exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/build/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Particle -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Utilities -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms/Host -I /opt/intel/oneapi/mpi/2021.12/include -D ADD_ -D H5_USE_16_API -D HAVE_CONFIG_H -D HAVE_MKL -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D OPENMP_NO_COMPLEX -D _MPICC_H -D restrict=__restrict__ -isystem /opt/intel/oneapi/mkl/2024.1/include -O3 -march=native -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -fstrict-aliasing -O3 -D NDEBUG -std=c++17 -MD -MT src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -MF src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o.d -o src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -c /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/SPOSet_builder.cpp -fveclib=SVML -fheinous-gnu-extensions --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/build/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Particle -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Utilities -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms/Host -I /opt/intel/oneapi/mpi/2021.12/include -D ADD_ -D H5_USE_16_API -D HAVE_CONFIG_H -D HAVE_MKL -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D OPENMP_NO_COMPLEX -D _MPICC_H -D restrict=__restrict__ -isystem /opt/intel/oneapi/mkl/2024.1/include -O3 -march=native -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -fstrict-aliasing -O3 -D NDEBUG -std=c++17 -MD -MT src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -MF src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o.d -o src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -c /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/SPOSet_builder.cpp -fveclib=SVML -fheinous-gnu-extensions | + [vdso]: N/A exec: N/A libqmcparticle.so: GNU C++17 13.1.0 -march=haswell -g -O3 -O3 -O3 -std=c++17 -flto -funroll-loops -fno-omit-frame-pointer -fcf-protection=none -fopenmp -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -fPIC libqmcparticle_omptarget.so: GNU GIMPLE 13.1.0 -march=haswell -g -g -O3 -O3 -O3 -O3 -O3 -O3 -fno-openacc -fcf-protection=none -fPIC -funroll-loops -fno-omit-frame-pointer -fcf-protection=none -fopenmp -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -fltrans libqmcutil.so: GNU GIMPLE 13.1.0 -march=haswell -g -g -O3 -O3 -O3 -O3 -O3 -O3 -fno-openacc -fcf-protection=none -fPIC -funroll-loops -fno-omit-frame-pointer -fcf-protection=none -fopenmp -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -fltrans libqmcwfs.so: GNU GIMPLE 13.1.0 -march=haswell -g -g -O3 -O3 -O3 -O3 -O3 -O3 -fno-openacc -fcf-protection=none -fPIC -funroll-loops -fno-omit-frame-pointer -fcf-protection=none -fopenmp -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -fltrans | exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/icx_1/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Particle -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Utilities -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/Platforms/Host -I /opt/intel/oneapi/mpi/2021.12/include -D ADD_ -D H5_USE_16_API -D HAVE_CONFIG_H -D HAVE_MKL -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D OPENMP_NO_COMPLEX -D _MPICC_H -D restrict=__restrict__ -isystem /opt/intel/oneapi/mkl/2024.1/include -O3 -O3 -x SAPPHIRERAPIDS -g -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -fstrict-aliasing -O3 -D NDEBUG -std=c++17 -MD -MT src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -MF src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o.d -o src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/SPOSet_builder.cpp.o -c /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/SPOSet_builder.cpp -fveclib=SVML -fheinous-gnu-extensions |
| Number of processes observed | 2 | same as r0 | same as r0 |
| Number of threads observed | 114 | same as r0 | same as r0 |
| Frequency Driver | acpi-cpufreq | same as r0 | same as r0 |
| Frequency Governor | performance | same as r0 | same as r0 |
| Huge Pages | never | same as r0 | same as r0 |
| Hyperthreading | on | same as r0 | same as r0 |
| Number of sockets | 2 | same as r0 | same as r0 |
| Number of cores per socket | 56 | same as r0 | same as r0 |
| MAQAO version | 2.20.0 | same as r0 | same as r0 |
| MAQAO build | Build information not available | same as r0 | same as r0 |
| Comments | same as r0 | same as r0 |