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exec - 2025-09-16 19:02:54 - MAQAO 2025.1.2

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Global Metrics

Total Time (s)136.27
Max (Thread Active Time) (s)122.15
Average Active Time (s)110.41
Activity Ratio (%)81.4
Average number of active threads207.431
Affinity Stability (%)91.8
GFLOPS297.319
Time in analyzed loops (%)75.3
Time in analyzed innermost loops (%)72.4
Time in user code (%)75.5
Compilation Options Score (%)100
Array Access Efficiency (%)51.5
Potential Speedups
Perfect Flow Complexity2.29
Perfect OpenMP/MPI/Pthread/TBB1.34
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.46
No Scalar IntegerPotential Speedup1.23
Nb Loops to get 80%2
FP VectorisedPotential Speedup1.47
Nb Loops to get 80%3
Fully VectorisedPotential Speedup2.53
Nb Loops to get 80%4
FP Arithmetic OnlyPotential Speedup1.35
Nb Loops to get 80%3

CQA Potential Speedups Summary

Average Active Threads Count

FLOPS Breakdown

Loop Based Profile

Innermost Loop Based Profile

Application Categorization

Compilation Options

Source ObjectIssue
exec
npair_bin.cpp
fix_nve.cpp
verlet.cpp
nbin.cpp
pair.cpp
pair_eam.cpp
atom.cpp
nbin_standard.cpp
neighbor.cpp
compute_temp.cpp
atom_vec.cpp
comm_brick.cpp
domain_omp.cpp

Loop Path Count Profile

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If FP Arithmetic Only

Experiment Summary

Application/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/defaults/orig/exec
Timestamp2025-09-16 19:02:54 Universal Timestamp1758042174
Number of processes observed256 Number of threads observed256
Experiment TypeMPI;
Machineisix03.benchmarkcenter.megware.com
Model NameIntel(R) Xeon(R) 6980P
Architecturex86_64 Micro ArchitectureGRANITE_RAPIDS
Cache Size516096 KB Number of Cores128
OS VersionLinux 5.14.0-570.39.1.el9_6.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Sep 4 05:08:52 EDT 2025
Architecture used during static analysisx86_64 Micro Architecture used during static analysisGRANITE_RAPIDS
Frequency Driverintel_pstate Frequency Governorperformance
Huge Pagesalways Hyperthreadingon
Number of sockets2 Number of cores per socket128
Compilation Optionsexec: 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 --driver-mode=g++ --intel -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/build/lammps/cmake/styles -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_GZIP -D LAMMPS_MEMALIGN=64 -D LAMMPS_OMP_COMPAT=4 -D LAMMPS_PNG -D LAMMPS_SMALLBIG -D LMP_OPENMP -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/include -O3 -x Host -mprefer-vector-width=512 -ffp-model=fast -qoverride-limits -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -Wno-tautological-constant-compare -Wno-unused-command-line-argument -std=c++17 -fPIC -fiopenmp -MD -MT lammps/cmake/CMakeFiles/lammps.dir/__/src/MANYBODY/pair_eam.cpp.o -MF lammps/cmake/CMakeFiles/lammps.dir/__/src/MANYBODY/pair_eam.cpp.o.d -o lammps/cmake/CMakeFiles/lammps.dir/__/src/MANYBODY/pair_eam.cpp.o -c /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.cpp -fveclib=SVML -fheinous-gnu-extensions

Configuration Summary

Dataset
Run Command<executable> -in in.intel.eam
MPI Commandmpirun -n <number_processes>
Number Processes256
Number Nodes1
FilterNot Used
Profile StartNot Used
Profile StopNot Used
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