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Global Metrics

Metricr0r1r2r3r4r5
Total Time (s)3.34 E31.88 E3998.21517.89327.45172.04
Max (Thread Active Time) (s)3.34 E31.87 E3996.93516.99326.24171.01
Average Active Time (s)3.31 E31.85 E3982.38508.73321.91169.16
Activity Ratio (%)99.198.898.598.398.598.6
Average number of active threads1.9833.9517.87315.71725.56051.130
Affinity Stability (%)100.0100.0100.0100.0100.0100.0
Time in analyzed loops (%)77.069.165.763.662.360.9
Time in analyzed innermost loops (%)11.210.19.799.869.9810.5
Time in user code (%)77.069.165.763.662.460.9
Compilation Options Score (%)100100100100100100
Array Access Efficiency (%)51.251.251.351.652.052.4
Potential Speedups
Perfect Flow Complexity1.001.001.001.001.001.00
Perfect OpenMP/MPI/Pthread/TBB1.001.001.011.021.021.04
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.301.451.531.571.611.64
Scalability - Gap1.001.121.201.241.271.34
No Scalar IntegerPotential Speedup1.121.101.101.091.091.09
Nb Loops to get 80%222222
FP VectorisedPotential Speedup1.971.791.721.691.661.64
Nb Loops to get 80%555555
Fully VectorisedPotential Speedup2.512.172.051.991.951.91
Nb Loops to get 80%555555
Only FP ArithmeticPotential Speedup1.311.271.251.241.231.22
Nb Loops to get 80%222222

Scalability Speedup

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Loop Based Profiles

Innermost / Single Loops

Inbetween Loops

Outermost Loops

Cumulated Coverage With All Loops

Innermost Loop Based Profiles

Coverage

Count

Application Categorization

Time

Coverage

Compilation Options

Source ObjectIssue
▼md-icpx-Ofast–
▼simulation.cpp–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - run_2_threads

Run 2 - run_4_threads

Run 3 - run_8_threads

Run 4 - run_16_threads

Run 5 - run_26_threads

Run 6 - run_52_threads

Experiment Summaries

r0r1r2r3r4r5
Experiment NameMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-OfastMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-OfastMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-OfastMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-OfastMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-OfastMD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment | Version : icpx-Ofast
Application./bin/md-icpx-Ofastsame as r0same as r0same as r0same as r0same as r0
Timestamp2025-08-27 21:15:10same as r0same as r0same as r0same as r0same as r0
Experiment TypeOpenMP; same as r0same as r0same as r0same as r0same as r0
Machineskylakesame as r0same as r0same as r0same as r0same as r0
Architecturex86_64same as r0same as r0same as r0same as r0same as r0
Micro ArchitectureSKYLAKEsame as r0same as r0same as r0same as r0same as r0
Model NameIntel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHzsame as r0same as r0same as r0same as r0same as r0
Cache Size36608 KBsame as r0same as r0same as r0same as r0same as r0
Number of Cores26same as r0same as r0same as r0same as r0same as r0
Maximal Frequency2.1 GHzsame as r0same as r0same as r0same as r0same as r0
OS VersionLinux 6.15.5-arch1-1 #1 SMP PREEMPT_DYNAMIC Sun, 06 Jul 2025 11:14:36 +0000same as r0same as r0same as r0same as r0same as r0
Architecture used during static analysisx86_64same as r0same as r0same as r0same as r0same as r0
Micro Architecture used during static analysisSKYLAKEsame as r0same as r0same as r0same as r0same as r0
Compilation Options 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 -malign-double -D COMPUTE_FORCES_OPTIMS -D ALIGN_CELLS -Wall -Werror -Wextra -Ofast -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions same as r0same as r0same as r0same as r0same as r0
Number of processes observed1same as r0same as r0same as r0same as r0same as r0
Number of threads observed248162652
Frequency Driverintel_cpufreqsame as r0same as r0same as r0same as r0same as r0
Frequency Governorschedutilsame as r0same as r0same as r0same as r0same as r0
Huge Pagesalwayssame as r0same as r0same as r0same as r0same as r0
Hyperthreadingoffsame as r0same as r0same as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0same as r0same as r0
Number of cores per socket26same as r0same as r0same as r0same as r0same as r0
MAQAO version2025.1.2same as r0same as r0same as r0same as r0same as r0
MAQAO builda5bc9ffe18a557b734e9194b2a08753f23990eca::20250818-184816same as r0same as r0same as r0same as r0same as r0
CommentsMolecular Dynamics - CODE OPTS version - Dual Socket Intel Xeon Platinum 8170 (Skylake CPU), 2-52 threads runssame as r0same as r0same as r0same as r0same as r0
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