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- r0: 6x1
- r1: 72x1
- r2: 96x1
- r3: 120x1
- r4: 126x1
- r5: 144x1
- r6: 168x1
- r7: 192x1
- r8: 216x1
- r9: 240x1
- r10: 256x1
Metric | r0 | r1 | r2 | r3 | r4 | r5 | r6 | r7 | r8 | r9 | r10 |
---|
Total Time (s) | 814.56 | 76.95 | 60.65 | 52.07 | 51.83 | 47.16 | 43.89 | 42.90 | 39.99 | 38.28 | 39.11 |
Max (Thread Active Time) (s) | 811.96 | 76.03 | 59.58 | 50.72 | 50.52 | 45.92 | 42.44 | 40.98 | 38.06 | 36.19 | 36.83 |
Average Active Time (s) | 810.33 | 75.73 | 59.37 | 50.50 | 50.20 | 45.67 | 42.14 | 40.80 | 37.79 | 35.81 | 36.34 |
Activity Ratio (%) | 99.5 | 98.5 | 98.0 | 97.1 | 97.0 | 97.0 | 96.2 | 95.3 | 94.7 | 93.8 | 93.2 |
Average number of active threads | 5.969 | 70.866 | 93.975 | 116.370 | 122.056 | 139.456 | 161.300 | 182.596 | 204.103 | 224.494 | 237.887 |
Affinity Stability (%) | 99.9 | 98.5 | 97.9 | 97.1 | 97.0 | 96.6 | 96.3 | 95.9 | 95.1 | 94.5 | 94.2 |
GFLOPS | 54.351 | 575.658 | 730.502 | 850.978 | 854.933 | 939.537 | 1.01 E3 | 1.03 E3 | 1.11 E3 | 1.16 E3 | 1.13 E3 |
Time in analyzed loops (%) | 90.6 | 87.8 | 87.4 | 85.6 | 84.1 | 86.5 | 85.5 | 83.2 | 85.9 | 86.1 | 78.2 |
Time in analyzed innermost loops (%) | 54.5 | 55.3 | 56.1 | 55.9 | 54.9 | 56.7 | 56.4 | 55.2 | 57.2 | 57.9 | 52.1 |
Time in user code (%) | 95.6 | 91.7 | 91.7 | 90.0 | 87.5 | 90.8 | 89.6 | 87.3 | 89.8 | 90.2 | 82.3 |
Compilation Options Score (%) | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
Array Access Efficiency (%) | 43.9 | 46.9 | 48.1 | 49.0 | 49.1 | 49.4 | 50.1 | 50.2 | 50.6 | 51.2 | 49.1 |
|
Potential Speedups |
Perfect Flow Complexity | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 |
Perfect OpenMP + MPI + Pthread | 1.02 | 1.03 | 1.05 | 1.05 | 1.05 | 1.04 | 1.05 | 1.04 | 1.05 | 1.05 | 1.04 |
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.03 | 1.06 | 1.07 | 1.09 | 1.12 | 1.08 | 1.09 | 1.12 | 1.09 | 1.08 | 1.20 |
Scalability - Gap | 1.00 | 1.13 | 1.19 | 1.28 | 1.34 | 1.39 | 1.51 | 1.69 | 1.77 | 1.88 | 2.05 |
No Scalar Integer | Potential Speedup | 1.07 | 1.07 | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 | 1.05 |
Nb Loops to get 80% | 5 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 7 | 7 |
FP Vectorised | Potential Speedup | 1.00 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 |
Nb Loops to get 80% | 4 | 5 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 |
Fully Vectorised | Potential Speedup | 1.08 | 1.09 | 1.09 | 1.09 | 1.09 | 1.09 | 1.09 | 1.09 | 1.09 | 1.10 | 1.08 |
Nb Loops to get 80% | 14 | 15 | 16 | 16 | 16 | 16 | 15 | 15 | 15 | 15 | 15 |
Only FP Arithmetic | Potential Speedup | 2.94 | 2.67 | 2.61 | 2.50 | 2.43 | 2.53 | 2.46 | 2.37 | 2.47 | 2.46 | 2.22 |
Nb Loops to get 80% | 10 | 11 | 11 | 11 | 11 | 12 | 11 | 11 | 11 | 12 | 11 |
Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
○ | |
▼intel_buffers.cpp– | |
○ | |
▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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Source Object | Issue |
▼exec– | |
▼pair_eam_intel.cpp– | |
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▼npair_intel.cpp– | |
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▼fix_nve_intel.cpp– | |
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▼intel_buffers.cpp– | |
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▼random_park.cpp– | |
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▼fix_intel.cpp– | |
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▼pair_eam.cpp– | |
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▼nbin.cpp– | |
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▼atom.cpp– | |
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▼compute_temp.cpp– | |
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▼neighbor.cpp– | |
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▼comm_brick.cpp– | |
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▼atom_vec.cpp– | |
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▼domain_omp.cpp– | |
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▼nbin_intel.cpp– | |
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| r0 | r1 | r2 | r3 | r4 | r5 | r6 | r7 | r8 | r9 | r10 |
Application | /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/exec | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Timestamp | 2025-05-15 11:24:25 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Experiment Type | MPI; | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Machine | ortce-gnrap3 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Architecture | x86_64 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Micro Architecture | GRANITE_RAPIDS | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Model Name | Intel(R) Xeon(R) 6980P | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Cache Size | 516096 KB | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Number of Cores | 128 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Maximal Frequency | 3.9 GHz | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
OS Version | Linux 6.8.0-59-generic #61-Ubuntu SMP PREEMPT_DYNAMIC Fri Apr 11 23:16:11 UTC 2025 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Architecture used during static analysis | x86_64 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Micro Architecture used during static analysis | GRANITE_RAPIDS | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
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 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Number of processes observed | 6 | 72 | 96 | 120 | 126 | 144 | 168 | 192 | 216 | 240 | 256 |
Number of threads observed | 6 | 72 | 96 | 120 | 126 | 144 | 168 | 192 | 216 | 240 | 256 |
Frequency Driver | intel_pstate | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Frequency Governor | performance | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Huge Pages | always | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Hyperthreading | on | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Number of sockets | 2 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Number of cores per socket | 128 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
MAQAO version | 2.21.1 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
MAQAO build | e8dbe5fa2b4bcfbd78ce7e9675bfc683121e6bf6::20250219-212851 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
Comments | OV scalability run using icx | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |