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| Metric | r0 | r1 | 
|---|
| Total Time (s) | 21.19 | 16.36 | 
| Max (Thread Active Time) (s) | 20.84 | 16.24 | 
| Average Active Time (s) | 20.25 | 15.93 | 
| Activity Ratio (%) | 95.8 | 97.6 | 
| Average number of active threads | 61.160 | 62.317 | 
| Affinity Stability (%) | 99.9 | 99.9 | 
| Time in analyzed loops (%) | 86.6 | 86.4 | 
| Time in analyzed innermost loops (%) | 49.4 | 53.2 | 
| Time in user code (%) | 86.6 | 86.4 | 
| Compilation Options Score (%) | 100 | 100 | 
| Array Access Efficiency (%) | 99.5 | 99.9 | 
 | 
| Potential Speedups |   | 
| Perfect Flow Complexity | 1.00 | 1.00 | 
| Perfect OpenMP/MPI/Pthread/TBB | 1.04 | 1.04 | 
| Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.18 | 1.17 | 
| No Scalar Integer | Potential Speedup | 1.15 | 1.13 | 
| Nb Loops to get 80% | 2 | 2 | 
| FP Vectorised | Potential Speedup | 1.96 | 1.40 | 
| Nb Loops to get 80% | 7 | 7 | 
| Fully Vectorised | Potential Speedup | 2.61 | 1.55 | 
| Nb Loops to get 80% | 7 | 7 | 
| Only FP Arithmetic | Potential Speedup | 1.12 | 1.11 | 
| Nb Loops to get 80% | 1 | 1 | 
 
| Source Object | Issue | 
| ▼md-acfl-Ofast– |  | 
| ▼simulation.cpp– |  | 
| ○ |  | 
 
 
 
| Source Object | Issue | 
| ▼md-acfl-Ofast– |  | 
| ▼simulation.cpp– |  | 
| ○ |  | 
 
 
 
  
 
 
 | r0 | r1 | 
| Experiment Name | MD Scalability Graviton 3 2-64 threads runs | Version : acfl-Ofast | MD scalability Neoverse V2 2-96 threads runs | Version : acfl-Ofast | 
| Application | ./bin/md-acfl-Ofast | same as r0 | 
| Timestamp | 2025-08-20 13:13:35 | 2025-08-28 15:11:17 | 
| Experiment Type | OpenMP;  | same as r0 | 
| Machine | ip-172-31-18-66 | ip-172-31-47-249.ec2.internal | 
| Architecture | aarch64 | same as r0 | 
| Micro Architecture | ARM_NEOVERSE_V1 | ARM_NEOVERSE_V2 | 
| Model Name |  |  | 
| Cache Size |  |  | 
| Number of Cores |  |  | 
| Maximal Frequency | 0 GHz | same as r0 | 
| OS Version | Linux 6.14.0-1010-aws #10~24.04.1-Ubuntu SMP Fri Jul 18 20:39:43 UTC 2025 | Linux 6.1.109-118.189.amzn2023.aarch64 #1 SMP Tue Sep 10 08:58:40 UTC 2024 | 
| Architecture used during static analysis | aarch64 | same as r0 | 
| Micro Architecture used during static analysis | ARM_NEOVERSE_V1 | ARM_NEOVERSE_V2 | 
| Compilation Options | 
md-acfl-Ofast: Arm C/C++/Fortran Compiler version 24.10.1 (build number 4) (based on LLVM 19.1.0) /opt/arm/arm-linux-compiler-24.10.1_Ubuntu-20.04/llvm-bin/clang-19 --driver-mode=g++ -std=c++17 -fopenmp -D USE_OPENMP -Wall -Werror -Wextra -Ofast -grecord-command-line -funroll-loops -g -I include -march=native -mcpu=native -c simulation.cpp -o simulation.o GNU C17 14.2.0 -mlittle-endian -mabi=lp64 -g -g -g -O2 -O2 -O2 -fbuilding-libgcc -fno-stack-protector -fPIC  | md-acfl-Ofast: Arm C/C++/Fortran Compiler version 24.10.1 (build number 4) (based on LLVM 19.1.0) /opt/arm/arm-linux-compiler-24.10.1_AmazonLinux-2023/llvm-bin/clang-19 --driver-mode=g++ -std=c++17 -Wall -Werror -Wextra -Ofast -grecord-command-line -funroll-loops -g -I include -march=native -mcpu=native -fopenmp=libiomp5 -D USE_OPENMP -c simulation.cpp -o simulation.o GNU C17 14.2.0 -mlittle-endian -mabi=lp64 -g -g -g -O2 -O2 -O2 -fbuilding-libgcc -fno-stack-protector -fPIC  | 
| Number of processes observed | 1 | same as r0 | 
| Number of threads observed | 64 | same as r0 | 
| Frequency Driver | NA | same as r0 | 
| Frequency Governor | NA | same as r0 | 
| Huge Pages | madvise | same as r0 | 
| Hyperthreading | off | same as r0 | 
| Number of sockets | 1 | same as r0 | 
| Number of cores per socket | 64 | 96 | 
| MAQAO version | 2025.1.2 | same as r0 | 
| MAQAO build | 3c12046452d68b38e394be5cd9e057265a89bbcf::20250812-175904 | 78677d26ba83c289026fb4d7c73e99d2bb9b53c2::20250827-162523 | 
| Comments | Molecular Dynamics AWS Graviton 3 (Neoverse V1 CPU), 2-64 threads runs | Molecular Dynamics AWS Graviton 4 (Neoverse V2 CPU), 2-96 threads runs |