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Global Metrics

Metricr0r1r2r3
Total Time (s)12.8112.4311.6611.69
Profiled Time (s)11.6311.3210.1410.64
GFLOPS252.797260.147235.440321.539
Time in analyzed loops (%)37.037.769.834.2
Time in analyzed innermost loops (%)36.637.164.433.8
Time in user code (%)37.237.870.734.5
Compilation Options Score (%)100100100100
Array Access Efficiency (%)86.586.488.479.5
Potential Speedups
Perfect Flow Complexity1.311.311.761.31
Perfect OpenMP + MPI + Pthread1.211.231.141.17
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution2.722.692.812.95
No Scalar IntegerPotential Speedup1.011.011.021.03
Nb Loops to get 80%2243
FP VectorisedPotential Speedup1.151.151.331.21
Nb Loops to get 80%1111
Fully VectorisedPotential Speedup1.391.402.151.37
Nb Loops to get 80%2241
Only FP ArithmeticPotential Speedup1.101.101.081.09
Nb Loops to get 80%2353

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
▼exec–
▼haloExchange.c–
○
▼ljForce.c–
○
▼timestep.c–
○
▼initAtoms.c–
○
▼linkCells.c–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

r0r1r2r3
Experiment Name
Application/beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/run/oneview_runs/defaults/orig/exec/beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/run/binaries/aocc_13/exec/beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/run/binaries/gcc_4/exec/beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/run/binaries/icx_6/exec
Timestamp2024-02-21 10:25:272024-02-21 10:53:232024-02-21 10:54:232024-02-21 10:53:54
Experiment TypeMPI; OpenMP; same as r0same as r0same as r0
Machinegmz16.benchmarkcenter.megware.comsame as r0same as r0same as r0
Architecturex86_64same as r0same as r0same as r0
Micro ArchitectureZEN_V4same as r0same as r0same as r0
Model NameAMD EPYC 9654 96-Core Processorsame as r0same as r0same as r0
Cache Size1024 KBsame as r0same as r0same as r0
Number of Cores96same as r0same as r0same as r0
Maximal Frequency3.707812 GHzsame as r0same as r0same as r0
OS VersionLinux 5.14.0-362.13.1.el9_3.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Dec 21 07:12:43 EST 2023same as r0same as r0same as r0
Architecture used during static analysisx86_64same as r0same as r0same as r0
Micro Architecture used during static analysisZEN_V4same as r0same as r0same as r0
Compilation Options exec: AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -O3 -march=native -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fopenmp=libomp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include exec: AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -D DO_MPI -O2 -march=znver4 -flto=full -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fopenmp=libomp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include exec: GNU C17 13.2.0 -march=haswell -g -O3 -O3 -fno-tree-vectorize -fno-openmp-simd -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -D DO_MPI -O2 -axCORE-AVX512 -mprefer-vector-width=512 -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -D DO_MPI -O2 -axCORE-AVX512 -mprefer-vector-width=512 -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions
Number of processes observed2same as r0same as r0same as r0
Number of threads observed192same as r0same as r0same as r0
Frequency Driveracpi-cpufreqsame as r0same as r0same as r0
Frequency Governorperformancesame as r0same as r0same as r0
Huge Pagesalwayssame as r0same as r0same as r0
Hyperthreadingonsame as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0
Number of cores per socket96same as r0same as r0same as r0
MAQAO version2.19.1same as r0same as r0same as r0
MAQAO builde26c8ffcefb997f114892e36591c060f98f53e6a::20240206-190005same as r0same as r0same as r0
CommentsExecution on the Megware (https://www.megware.com/en/) benchmarking clustersame as r0same as r0same as r0
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