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exec - 2025-09-17 20:58:49 - MAQAO 2025.1.2

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Global Metrics

Total Time (s)101.32
Max (Thread Active Time) (s)99.04
Average Active Time (s)98.88
Activity Ratio (%)97.8
Average number of active threads187.372
Affinity Stability (%)98.0
GFLOPS359.278
Time in analyzed loops (%)92.4
Time in analyzed innermost loops (%)89.4
Time in user code (%)92.7
Compilation Options Score (%)66.7
Array Access Efficiency (%)51.9
Potential Speedups
Perfect Flow Complexity4.54
Perfect OpenMP/MPI/Pthread/TBB1.04
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.07
No Scalar IntegerPotential Speedup1.26
Nb Loops to get 80%2
FP VectorisedPotential Speedup1.65
Nb Loops to get 80%3
Fully VectorisedPotential Speedup5.62
Nb Loops to get 80%7
FP Arithmetic OnlyPotential Speedup1.36
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
stl_map.h-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
atom.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
platform.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
atom_vec.h-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
memory.h-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
npair_bin.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
fix_nve.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
verlet.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
pair.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
random_park.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
compute.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
atom_vec.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
nbin.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
utils.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
neighbor.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
group.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
comm_brick.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
domain.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
velocity.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
create_atoms.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
integrate.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
modify.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
timer.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
variable.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
pair_eam.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
compute_temp.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
comm.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
domain_omp.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
my_page.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
lattice.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
compute_pe.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
nbin_standard.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
thermo.cpp-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2

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_ZEN5/175-813-3609/intel/LAMMPS/run/base_runs/defaults/icx/exec
Timestamp2025-09-17 20:58:49 Universal Timestamp1758135529
Number of processes observed192 Number of threads observed192
Experiment TypeMPI;
Machinegmz12.benchmarkcenter.megware.com
Model NameAMD EPYC 9655 96-Core Processor
Architecturex86_64 Micro ArchitectureZEN_V5
Cache Size1024 KB Number of Cores96
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 analysisZEN_V5
Frequency Driveracpi-cpufreq Frequency Governorperformance
Huge Pagesalways Hyperthreadingon
Number of sockets2 Number of cores per socket96
Compilation Optionsexec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.0 (2025.1.0.20250317) /cluster/intel/oneapi/2025.1.0/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -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 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/build/icx/lammps/cmake/styles -isystem /cluster/intel/oneapi/2025.1.0/mkl/2025.1/include -O3 -ffp-model=fast -march=native -mprefer-vector-width=512 -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -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_ZEN5/175-813-3609/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.cpp -I /cluster/intel/oneapi/2025.1.0/mpi/2021.15/include -fveclib=SVML

Configuration Summary

Dataset
Run Command<executable> -in in.intel.eam
MPI Commandmpirun -n <number_processes>
Number Processes192
Number Nodes1
FilterNot Used
Profile StartNot Used
Profile StopNot Used
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