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| Metric | r0 |
|---|
| 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 threads | 235.720 |
| Affinity Stability (%) | 94.1 |
| GFLOPS | 1.18 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 Complexity | 1.01 |
| Perfect OpenMP + MPI + Pthread | 1.07 |
| Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.10 |
| No Scalar Integer | Potential Speedup | 1.06 |
| Nb Loops to get 80% | 7 |
| FP Vectorised | Potential Speedup | 1.01 |
| Nb Loops to get 80% | 4 |
| Fully Vectorised | Potential Speedup | 1.09 |
| Nb Loops to get 80% | 15 |
| Only FP Arithmetic | Potential Speedup | 2.40 |
| Nb Loops to get 80% | 12 |
| Source Object | Issue |
|---|
| ▼exec– | |
| ▼pair_eam_intel.cpp– | |
| ○ | |
| ▼npair_intel.cpp– | |
| ○ | |
| ▼fix_nve_intel.cpp– | |
| ○ | |
| ▼fix_intel.cpp– | |
| ○ | |
| ▼intel_buffers.cpp– | |
| ○ | |
| ▼random_park.cpp– | |
| ○ | |
| ▼verlet.cpp– | |
| ○ | |
| ▼pair_eam.cpp– | |
| ○ | |
| ▼nbin.cpp– | |
| ○ | |
| ▼atom.cpp– | |
| ○ | |
| ▼domain_omp.cpp– | |
| ○ | |
| ▼neighbor.cpp– | |
| ○ | |
| ▼comm_brick.cpp– | |
| ○ | |
| ▼atom_vec.cpp– | |
| ○ | |
| ▼compute_temp.cpp– | |
| ○ | |
| ▼nbin_intel.cpp– | |
| ○ | |
| r0 |
|---|
| Experiment Name | |
|---|
| Application | /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/exec |
|---|
| Timestamp | 2025-05-15 09:38:22 |
|---|
| Experiment Type | MPI; |
|---|
| Machine | ortce-gnrap3 |
|---|
| Architecture | x86_64 |
|---|
| Micro Architecture | GRANITE_RAPIDS |
|---|
| Model Name | Intel(R) Xeon(R) 6980P |
|---|
| Cache Size | 516096 KB |
|---|
| Number of Cores | 128 |
|---|
| Maximal Frequency | 3.9 GHz |
|---|
| OS Version | Linux 6.8.0-59-generic #61-Ubuntu SMP PREEMPT_DYNAMIC Fri Apr 11 23:16:11 UTC 2025 |
|---|
| Architecture used during static analysis | x86_64 |
|---|
| Micro Architecture used during static analysis | GRANITE_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 observed | 256 |
|---|
| Number of threads observed | 256 |
|---|
| Frequency Driver | intel_pstate |
|---|
| Frequency Governor | performance |
|---|
| Huge Pages | always |
|---|
| Hyperthreading | on |
|---|
| Number of sockets | 2 |
|---|
| Number of cores per socket | 128 |
|---|
| MAQAO version | 2.21.1 |
|---|
| MAQAO build | e8dbe5fa2b4bcfbd78ce7e9675bfc683121e6bf6::20250219-212851 |
|---|
| Comments | |
|---|
