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exec - 2025-09-17 23:35:04 - MAQAO 2025.1.2

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Global Metrics

Total Time (s)51.02
Max (Thread Active Time) (s)34.91
Average Active Time (s)34.19
Activity Ratio (%)67.4
Average number of active threads171.536
Affinity Stability (%)71.2
GFLOPS1.27 E3
Time in analyzed loops (%)84.9
Time in analyzed innermost loops (%)57.4
Time in user code (%)89.1
Compilation Options Score (%)100
Array Access Efficiency (%)51.2
Potential Speedups
Perfect Flow Complexity1.01
Perfect OpenMP/MPI/Pthread/TBB1.07
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.11
No Scalar IntegerPotential Speedup1.06
Nb Loops to get 80%7
FP VectorisedPotential Speedup1.01
Nb Loops to get 80%4
Fully VectorisedPotential Speedup1.10
Nb Loops to get 80%15
FP Arithmetic OnlyPotential Speedup2.42
Nb Loops to get 80%12

CQA Potential Speedups Summary

Average Active Threads Count

FLOPS Breakdown

Loop Based Profile

Innermost Loop Based Profile

Application Categorization

Compilation Options

Source ObjectIssue
exec
pair_eam_intel.cpp
fix_nve_intel.cpp
stl_map.h
procmap.cpp
stl_tree.h
atom.cpp
platform.cpp
atom_vec.h
create_atoms.cpp
lattice.cpp
input.cpp
verlet.cpp
intel_buffers.cpp
random_park.cpp
lammps.cpp
output.cpp
compute.cpp
atom_vec.cpp
array
nbin_intel.cpp
npair_intel.cpp
fix_intel.cpp
universe.cpp
compute_pe.h
compute_temp.h
utils.cpp
memory.h
neighbor.cpp
comm_brick.cpp
group.cpp
compute_temp.cpp
fix_intel.h
domain.cpp
velocity.cpp
atom_vec_atomic.cpp
integrate.cpp
modify.cpp
format-inl.h
variable.cpp
pair_eam.cpp
npair_bin_intel.cpp
compute_pressure.cpp
domain_omp.cpp
thermo.cpp
lmppython.cpp
timer.cpp
force.cpp
nbin.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_ZEN5/175-813-3591/intel/LAMMPS/run/binaries/icx_2/exec
Timestamp2025-09-17 23:35:04 Universal Timestamp1758144904
Number of processes observed256 Number of threads observed256
Experiment TypeMPI;
Machineisix04.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 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_INTEL -D LMP_INTEL_USELRT -D LMP_OPENMP -D LMP_USE_MKL_RNG -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/icx_2/lammps/cmake/styles -isystem /cluster/intel/oneapi/2025.1.0/mkl/2025.1/include -isystem /cluster/intel/oneapi/2025.1.0/tbb/2022.1/include -O3 -mprefer-vector-width=512 -ffp-model=fast -qoverride-limits -O3 -x GRANITERAPIDS -mprefer-vector-width=512 -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -grecord-command-line -fno-finite-math-only -Wno-tautological-constant-compare -Wno-unused-command-line-argument -std=c++17 -fPIC -fiopenmp -MD -MT lammps/cmake/CMakeFiles/lammps.dir/__/src/INTEL/pair_eam_intel.cpp.o -MF lammps/cmake/CMakeFiles/lammps.dir/__/src/INTEL/pair_eam_intel.cpp.o.d -o lammps/cmake/CMakeFiles/lammps.dir/__/src/INTEL/pair_eam_intel.cpp.o -c /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL/pair_eam_intel.cpp -I /cluster/intel/oneapi/2025.1.0/mpi/2021.15/include -fveclib=SVML

Configuration Summary

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