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| Metric | r0 | r1 | r2 |
|---|
| Total Time (s) | 52.67 | 52.44 | 52.53 |
| Max (Thread Active Time) (s) | 52.00 | 51.74 | 51.88 |
| Average Active Time (s) | 51.78 | 51.55 | 51.66 |
| Activity Ratio (%) | 99.3 | 99.3 | 99.4 |
| Average number of active threads | 51.122 | 51.115 | 51.140 |
| Affinity Stability (%) | 100.0 | 100.0 | 100.0 |
| Time in analyzed loops (%) | 81.8 | 82.3 | 83.0 |
| Time in analyzed innermost loops (%) | 34.0 | 34.5 | 34.3 |
| Time in user code (%) | 82.3 | 82.3 | 83.0 |
| Compilation Options Score (%) | 100 | 100 | 100 |
| Array Access Efficiency (%) | 55.9 | 56.2 | 55.8 |
|
| Potential Speedups |  |
| Perfect Flow Complexity | 1.00 | 1.00 | 1.00 |
| Perfect OpenMP/MPI/Pthread/TBB | 1.07 | 1.07 | 1.07 |
| Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.21 | 1.21 | 1.20 |
| No Scalar Integer | Potential Speedup | 1.10 | 1.09 | 1.09 |
| Nb Loops to get 80% | 1 | 1 | 1 |
| FP Vectorised | Potential Speedup | 2.38 | 2.40 | 2.42 |
| Nb Loops to get 80% | 6 | 6 | 6 |
| Fully Vectorised | Potential Speedup | 3.02 | 3.02 | 3.08 |
| Nb Loops to get 80% | 7 | 7 | 7 |
| Only FP Arithmetic | Potential Speedup | 1.24 | 1.25 | 1.25 |
| Nb Loops to get 80% | 1 | 1 | 1 |
| Source Object | Issue |
| ▼md-icpx-O2– | |
| ▼random.h– | |
| ○ | |
| ▼simulation.cpp– | |
| ○ | |
| Source Object | Issue |
| ▼md-icpx-O3– | |
| ▼random.h– | |
| ○ | |
| ▼simulation.cpp– | |
| ○ | |
| Source Object | Issue |
| ▼md-icpx-Ofast– | |
| ▼random.h– | |
| ○ | |
| ▼simulation.cpp– | |
| ○ | |
| r0 | r1 | r2 |
| Experiment Name | MD scalability Skylake 2-52 threads runs (ICPX) | Version : icpx-O2 | MD scalability Skylake 2-52 threads runs (ICPX) | Version : icpx-O3 | MD scalability Skylake 2-52 threads runs (ICPX) | Version : icpx-Ofast |
| Application | ./bin/md-icpx-O2 | ./bin/md-icpx-O3 | ./bin/md-icpx-Ofast |
| Timestamp | 2025-08-20 13:48:26 | 2025-08-20 14:23:40 | 2025-08-20 14:58:16 |
| Experiment Type | OpenMP; | same as r0 | same as r0 |
| Machine | skylake | same as r0 | same as r0 |
| Architecture | x86_64 | same as r0 | same as r0 |
| Micro Architecture | SKYLAKE | same as r0 | same as r0 |
| Model Name | Intel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHz | same as r0 | same as r0 |
| Cache Size | 36608 KB | same as r0 | same as r0 |
| Number of Cores | 26 | same as r0 | same as r0 |
| Maximal Frequency | 2.1 GHz | same as r0 | same as r0 |
| OS Version | Linux 6.15.5-arch1-1 #1 SMP PREEMPT_DYNAMIC Sun, 06 Jul 2025 11:14:36 +0000 | 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 | SKYLAKE | same as r0 | same as r0 |
| Compilation Options |
md-icpx-O2: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -Wall -Werror -Wextra -O2 -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions | md-icpx-O3: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -Wall -Werror -Wextra -O3 -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions | md-icpx-Ofast: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -Wall -Werror -Wextra -Ofast -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions |
| Number of processes observed | 1 | same as r0 | same as r0 |
| Number of threads observed | 52 | same as r0 | same as r0 |
| Frequency Driver | intel_cpufreq | same as r0 | same as r0 |
| Frequency Governor | schedutil | same as r0 | same as r0 |
| Huge Pages | always | same as r0 | same as r0 |
| Hyperthreading | off | same as r0 | same as r0 |
| Number of sockets | 2 | same as r0 | same as r0 |
| Number of cores per socket | 26 | same as r0 | same as r0 |
| MAQAO version | 2025.1.2 | same as r0 | same as r0 |
| MAQAO build | a5bc9ffe18a557b734e9194b2a08753f23990eca::20250818-184816 | same as r0 | same as r0 |
| Comments | Molecular Dynamics Dual Socket Intel Xeon Platinum 8170 (Skylake CPU), 2-52 threads runs | same as r0 | same as r0 |