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| Metric | r0 | r1 | r2 |
|---|
| Total Time (s) | 14.30 | 13.87 | 12.85 |
| Max (Thread Active Time) (s) | 14.27 | 13.84 | 12.82 |
| Average Active Time (s) | 14.24 | 13.82 | 12.80 |
| Activity Ratio (%) | 99.8 | 99.9 | 99.8 |
| Average number of active threads | 95.590 | 95.657 | 95.621 |
| Affinity Stability (%) | 99.9 | 99.9 | 99.9 |
| Time in analyzed loops (%) | 83.3 | 83.3 | 83.0 |
| Time in analyzed innermost loops (%) | 51.3 | 52.8 | 55.7 |
| Time in user code (%) | 83.3 | 83.3 | 83.0 |
| Compilation Options Score (%) | 87.5 | 100 | 100 |
| Array Access Efficiency (%) | 99.5 | 99.6 | 99.5 |
|
| Potential Speedups |  |
| Perfect Flow Complexity | 1.00 | 1.00 | 1.00 |
| Perfect OpenMP/MPI/Pthread/TBB | 1.05 | 1.05 | 1.06 |
| Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.20 | 1.19 | 1.20 |
| No Scalar Integer | Potential Speedup | 1.36 | 1.33 | 1.23 |
| Nb Loops to get 80% | 1 | 1 | 1 |
| FP Vectorised | Potential Speedup | 1.57 | 1.58 | 1.54 |
| Nb Loops to get 80% | 5 | 5 | 5 |
| Fully Vectorised | Potential Speedup | 1.66 | 1.64 | 1.70 |
| Nb Loops to get 80% | 6 | 6 | 6 |
| Only FP Arithmetic | Potential Speedup | 1.01 | 1.01 | 1.11 |
| Nb Loops to get 80% | 3 | 3 | 1 |
| Source Object | Issue |
| ▼md-gcc-O2– | |
| ▼simulation.cpp– | |
| ○ | -O3 or -Ofast is missing. |
| Source Object | Issue |
| ▼md-gcc-O3– | |
| ▼simulation.cpp– | |
| ○ | |
| Source Object | Issue |
| ▼md-gcc-Ofast– | |
| ▼simulation.cpp– | |
| ○ | |
| r0 | r1 | r2 |
| Experiment Name | MD scalability Neoverse V2 2-96 threads runs | Version : gcc-O2 | MD scalability Neoverse V2 2-96 threads runs | Version : gcc-O3 | MD scalability Neoverse V2 2-96 threads runs | Version : gcc-Ofast |
| Application | ./bin/md-gcc-O2 | ./bin/md-gcc-O3 | ./bin/md-gcc-Ofast |
| Timestamp | 2025-08-28 13:53:51 | 2025-08-28 14:11:11 | 2025-08-28 14:27:56 |
| Experiment Type | OpenMP; | same as r0 | same as r0 |
| Machine | ip-172-31-47-249.ec2.internal | same as r0 | same as r0 |
| Architecture | aarch64 | same as r0 | same as r0 |
| Micro Architecture | ARM_NEOVERSE_V2 | same as r0 | same as r0 |
| Model Name | | | |
| Cache Size | | | |
| Number of Cores | | | |
| Maximal Frequency | 0 GHz | same as r0 | same as r0 |
| OS Version | Linux 6.1.109-118.189.amzn2023.aarch64 #1 SMP Tue Sep 10 08:58:40 UTC 2024 | same as r0 | same as r0 |
| Architecture used during static analysis | aarch64 | same as r0 | same as r0 |
| Micro Architecture used during static analysis | ARM_NEOVERSE_V2 | same as r0 | same as r0 |
| Compilation Options |
md-gcc-O2: GNU C++17 11.4.1 20230605 (Red Hat 11.4.1-2) -mlittle-endian -mabi=lp64 -march=armv8.5-a+crypto+rng+sve2-aes+sve2-sha3+sve2-bitperm+i8mm+bf16+nossbs+nopredres -mtune=neoverse-v2 -g -O2 -std=c++17 -fopenmp -funroll-loops | md-gcc-O3: GNU C++17 11.4.1 20230605 (Red Hat 11.4.1-2) -mlittle-endian -mabi=lp64 -march=armv8.5-a+crypto+rng+sve2-aes+sve2-sha3+sve2-bitperm+i8mm+bf16+nossbs+nopredres -mtune=neoverse-v2 -g -O3 -std=c++17 -fopenmp -funroll-loops | md-gcc-Ofast: GNU C++17 11.4.1 20230605 (Red Hat 11.4.1-2) -mlittle-endian -mabi=lp64 -march=armv8.5-a+crypto+rng+sve2-aes+sve2-sha3+sve2-bitperm+i8mm+bf16+nossbs+nopredres -mtune=neoverse-v2 -g -Ofast -std=c++17 -fopenmp -funroll-loops |
| Number of processes observed | 1 | same as r0 | same as r0 |
| Number of threads observed | 96 | same as r0 | same as r0 |
| Frequency Driver | NA | same as r0 | same as r0 |
| Frequency Governor | NA | same as r0 | same as r0 |
| Huge Pages | madvise | same as r0 | same as r0 |
| Hyperthreading | off | same as r0 | same as r0 |
| Number of sockets | 1 | same as r0 | same as r0 |
| Number of cores per socket | 96 | same as r0 | same as r0 |
| MAQAO version | 2025.1.2 | same as r0 | same as r0 |
| MAQAO build | 78677d26ba83c289026fb4d7c73e99d2bb9b53c2::20250827-162523 | same as r0 | same as r0 |
| Comments | Molecular Dynamics AWS Graviton 4 (Neoverse V2 CPU), 2-96 threads runs | same as r0 | same as r0 |