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Global Metrics

Metricr0
Total Time (s)37.69
Max (Thread Active Time) (s)35.04
Average Active Time (s)34.70
Activity Ratio (%)92.6
Average number of active threads235.720
Affinity Stability (%)94.1
GFLOPS1.18 E3
Time in analyzed loops (%)84.6
Time in analyzed innermost loops (%)57.4
Time in user code (%)88.9
Compilation Options Score (%)100
Array Access Efficiency (%)51.2
Potential Speedups
Perfect Flow Complexity1.01
Perfect OpenMP + MPI + Pthread1.07
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.10
No Scalar IntegerPotential Speedup1.06
Nb Loops to get 80%7
FP VectorisedPotential Speedup1.01
Nb Loops to get 80%4
Fully VectorisedPotential Speedup1.09
Nb Loops to get 80%15
Only FP ArithmeticPotential Speedup2.40
Nb Loops to get 80%12

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Loop Based Profiles

Innermost / Single Loops

Inbetween Loops

Outermost Loops

Cumulated Coverage With All Loops

Innermost Loop Based Profiles

Coverage

Count

Application Categorization

Time

Coverage

Compilation Options

Source ObjectIssue
▼exec–
▼pair_eam_intel.cpp–
○
▼npair_intel.cpp–
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▼fix_nve_intel.cpp–
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▼fix_intel.cpp–
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▼intel_buffers.cpp–
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▼random_park.cpp–
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▼verlet.cpp–
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▼pair_eam.cpp–
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▼nbin.cpp–
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▼atom.cpp–
○
▼domain_omp.cpp–
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▼neighbor.cpp–
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▼comm_brick.cpp–
○
▼atom_vec.cpp–
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▼compute_temp.cpp–
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▼nbin_intel.cpp–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - orig_default

Experiment Summaries

r0
Experiment Name
Application/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/exec
Timestamp2025-05-15 09:38:22
Experiment TypeMPI;
Machineortce-gnrap3
Architecturex86_64
Micro ArchitectureGRANITE_RAPIDS
Model NameIntel(R) Xeon(R) 6980P
Cache Size516096 KB
Number of Cores128
Maximal Frequency3.9 GHz
OS VersionLinux 6.8.0-59-generic #61-Ubuntu SMP PREEMPT_DYNAMIC Fri Apr 11 23:16:11 UTC 2025
Architecture used during static analysisx86_64
Micro Architecture used during static analysisGRANITE_RAPIDS
Compilation Options exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D LAMMPS_OMP_COMPAT=4 -D LAMMPS_PNG -D LAMMPS_SMALLBIG -D LMP_INTEL -D LMP_INTEL_USELRT -D LMP_OPENMP -D LMP_USE_MKL_RNG -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/ASPHERE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/CLASS2 -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/DPD-BASIC -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/KSPACE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MANYBODY -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MEAM -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MISC -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MOLECULE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/REPLICA -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/RIGID -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/OPENMP -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/OPT -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/build/styles -isystem /opt/intel/oneapi/mkl/2025.1/include -isystem /opt/intel/oneapi/tbb/2022.1/include -O3 -x Host -mprefer-vector-width=512 -ffp-model=fast -qoverride-limits -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -grecord-command-line -std=c++17 -fPIC -Wno-tautological-constant-compare -Wno-unused-command-line-argument -fiopenmp -MD -MT CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o -MF CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o.d -o CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o -c /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp -I /opt/intel/oneapi/mpi/2021.15/include -fveclib=SVML --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D LAMMPS_OMP_COMPAT=4 -D LAMMPS_PNG -D LAMMPS_SMALLBIG -D LMP_INTEL -D LMP_INTEL_USELRT -D LMP_OPENMP -D LMP_USE_MKL_RNG -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/ASPHERE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/CLASS2 -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/DPD-BASIC -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/KSPACE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MANYBODY -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MEAM -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MISC -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/MOLECULE -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/REPLICA -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/RIGID -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/OPENMP -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/OPT -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL -I /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/build/styles -isystem /opt/intel/oneapi/mkl/2025.1/include -isystem /opt/intel/oneapi/tbb/2022.1/include -O3 -x Host -mprefer-vector-width=512 -ffp-model=fast -qoverride-limits -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -grecord-command-line -std=c++17 -fPIC -Wno-tautological-constant-compare -Wno-unused-command-line-argument -fiopenmp -MD -MT CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o -MF CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o.d -o CMakeFiles/lammps.dir/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp.o -c /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/build/LAMMPS/src/INTEL/pair_eam_intel.cpp -I /opt/intel/oneapi/mpi/2021.15/include -fveclib=SVML
Number of processes observed256
Number of threads observed256
Frequency Driverintel_pstate
Frequency Governorperformance
Huge Pagesalways
Hyperthreadingon
Number of sockets2
Number of cores per socket128
MAQAO version2.21.1
MAQAO builde8dbe5fa2b4bcfbd78ce7e9675bfc683121e6bf6::20250219-212851
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