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Global Metrics

Metricr0r1r2r3r4r5r6r7r8r9
Total Time (s)906.8270.5264.5962.7261.0557.4858.0456.6856.3153.21
Max (Thread Active Time) (s)905.8366.0957.7455.1454.3546.4549.4144.3040.1437.86
Average Active Time (s)905.7165.7357.0854.6353.5345.3248.5042.6137.6835.11
Activity Ratio (%)99.993.688.887.688.279.484.275.867.567.1
Average number of active threads5.99389.477106.042109.749126.266132.466160.442162.369160.584168.923
Affinity Stability (%)99.994.890.889.791.084.188.881.675.775.6
GFLOPS41.496569.192650.704681.791688.689805.213754.412836.350907.991950.577
Time in analyzed loops (%)89.484.781.680.381.280.180.282.880.481.9
Time in analyzed innermost loops (%)47.848.947.646.448.046.548.850.548.449.9
Time in user code (%)93.688.685.583.485.583.784.886.984.285.8
Compilation Options Score (%)100100100100100100100100100100
Array Access Efficiency (%)64.166.066.565.666.665.968.068.367.567.8
Potential Speedups
Perfect Flow Complexity1.011.011.011.011.011.011.011.011.011.01
Perfect OpenMP/MPI/Pthread/TBB1.031.081.071.081.061.091.071.101.121.08
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.051.111.161.181.161.201.171.161.221.22
Scalability - Gap1.001.241.421.451.621.772.052.252.482.50
No Scalar IntegerPotential Speedup1.131.111.111.111.111.111.101.101.101.10
Nb Loops to get 80%6777777777
FP VectorisedPotential Speedup1.111.101.101.091.091.091.091.091.091.09
Nb Loops to get 80%2222223222
Fully VectorisedPotential Speedup1.441.441.421.411.431.411.421.431.431.43
Nb Loops to get 80%9111111111111111111
Only FP ArithmeticPotential Speedup2.242.041.961.951.951.951.891.941.911.93
Nb Loops to get 80%11121212121213131313

FLOPS Breakdown

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
exec
pair_eam_intel.cpp
min.cpp
fix_nve_intel.cpp
stl_map.h
stl_tree.h
verlet.h
atom.cpp
platform.cpp
integrate.h
read_data.cpp
domain_omp.cpp
lattice.cpp
input.cpp
compute_pressure.cpp
intel_buffers.cpp
neigh_list.cpp
random_park.cpp
fix.h
run.cpp
output.cpp
compute.cpp
atom_vec.cpp
nbin_intel.cpp
npair.cpp
npair_intel.cpp
nbin.cpp
region_block.cpp
comm_brick.cpp
hashtable.h
utils.cpp
region.cpp
neighbor.cpp
citeme.cpp
group.cpp
compute_temp.cpp
fix_intel.cpp
domain.cpp
velocity.cpp
run.h
integrate.cpp
modify.cpp
create_atoms.cpp
variable.cpp
pair_eam.cpp
core.h
format.h
comm.cpp
thermo.cpp
update.cpp
lammps.cpp
force.cpp
timer.h

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - 6x1

Run 2 - 96x1

Run 3 - 120x1

Run 4 - 126x1

Run 5 - 144x1

Run 6 - 168x1

Run 7 - 192x1

Run 8 - 216x1

Run 9 - 240x1

Run 10 - 256x1

Experiment Summaries

r0r1r2r3r4r5r6r7r8r9
Application/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/binaries/icx_2/execsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Timestamp2025-09-16 22:43:08same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Experiment TypeMPI; same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Machineisix02.benchmarkcenter.megware.comsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Architecturex86_64same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Micro ArchitectureGRANITE_RAPIDSsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Model NameIntel(R) Xeon(R) 6980Psame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Cache Size516096 KBsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of Cores128same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Maximal Frequency3.9 GHzsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
OS VersionLinux 5.14.0-570.39.1.el9_6.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Sep 4 05:08:52 EDT 2025same as r0same as r0same as r0same as r0same 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 r0same as r0same as r0same as r0same as r0
Micro Architecture used during static analysisGRANITE_RAPIDSsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Compilation Options 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 --driver-mode=g++ --intel -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/build/icx_2/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_INTEL -D LMP_INTEL_USELRT -D LMP_OPENMP -D LMP_USE_MKL_RNG -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/include -isystem /cluster/intel/oneapi/2024.0.0/tbb/2021.11/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 -nopie -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_ZEN5/175-803-9852/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL/pair_eam_intel.cpp -fveclib=SVML -fheinous-gnu-extensions same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of processes observed696120126144168192216240256
Number of threads observed696120126144168192216240256
Frequency Driverintel_pstatesame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Frequency Governorperformancesame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Huge Pagesalwayssame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Hyperthreadingonsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of cores per socket128same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
MAQAO version2025.1.2same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
MAQAO buildd7816a4ef31d96c8cb7cb54a3ec2554ac0d7ef52::20250912-183832same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
CommentsOV scalability run using icx_2same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
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