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Global Metrics

Metricr0r1r2r3r4r5r6r7r8r9
Total Time (s)822.2965.0655.9553.4551.8850.6050.1654.6048.9950.29
Max (Thread Active Time) (s)821.3560.4650.1048.9845.4241.6239.4138.2236.1034.86
Average Active Time (s)821.0560.2349.7748.6544.9541.2038.7537.4835.2434.23
Activity Ratio (%)99.992.989.391.587.182.278.169.472.868.5
Average number of active threads5.99188.862106.753114.691124.777136.801148.300148.247172.617174.215
Affinity Stability (%)99.993.289.691.987.983.380.371.475.270.2
GFLOPS53.902732.788884.440904.715975.5931.06 E31.12 E31.16 E31.23 E31.27 E3
Time in analyzed loops (%)92.387.986.185.086.986.785.385.186.683.3
Time in analyzed innermost loops (%)55.756.355.955.356.757.056.656.458.255.8
Time in user code (%)96.692.090.488.591.090.789.588.990.687.5
Compilation Options Score (%)100100100100100100100100100100
Array Access Efficiency (%)43.747.348.448.749.449.750.350.451.450.1
Potential Speedups
Perfect Flow Complexity1.011.011.011.011.011.011.011.011.011.01
Perfect OpenMP/MPI/Pthread/TBB1.011.051.061.051.061.071.071.081.081.06
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.021.071.091.111.081.091.111.121.101.13
Scalability - Gap1.001.271.361.361.511.721.952.392.382.61
No Scalar IntegerPotential Speedup1.071.061.061.061.061.061.061.061.061.06
Nb Loops to get 80%5666666677
FP VectorisedPotential Speedup1.001.011.011.011.011.011.011.011.011.01
Nb Loops to get 80%4544444444
Fully VectorisedPotential Speedup1.081.091.091.091.091.091.091.091.101.09
Nb Loops to get 80%14161616161615151515
Only FP ArithmeticPotential Speedup3.062.662.542.482.552.532.452.452.482.38
Nb Loops to get 80%10111111111111111211

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
nstencil.cpp
fix_nve_intel.cpp
stl_map.h
procmap.cpp
stl_tree.h
atom.cpp
domain_omp.cpp
input.cpp
compute_pressure.cpp
intel_buffers.cpp
pair.cpp
random_park.cpp
create_atoms.cpp
fix.cpp
fix.h
update.cpp
min.cpp
output.cpp
compute.cpp
atom_vec.cpp
comm_brick.cpp
nbin_intel.cpp
npair.cpp
npair_intel.cpp
atom_vec_atomic.cpp
nbin.cpp
neighbor.cpp
npair_bin_intel.cpp
region_block.cpp
verlet.cpp
neigh_request.cpp
utils.cpp
new_allocator.h
memory.cpp
citeme.cpp
group.cpp
compute_temp.cpp
thermo.cpp
domain.cpp
create_box.cpp
fix_intel.h
fix_intel.cpp
modify.cpp
format-inl.h
variable.cpp
pair_eam.cpp
core.h
format.h
comm.cpp
lammps.cpp
pair.h
compute_pe.cpp
force.cpp
run.cpp

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_ZEN5/175-813-3591/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
Timestamp2025-09-18 00:31:03same 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
Machineisix04.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 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 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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