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Metric | r0 | r1 | r2 | r3 | |
---|---|---|---|---|---|
Total Time (s) | 86.27 | 162.86 | 96.55 | 195.63 | |
Max (Thread Active Time) (s) | 71.36 | 148.76 | 83.88 | 175.66 | |
Average Active Time (s) | 51.32 | 120.78 | 59.68 | 141.03 | |
Activity Ratio (%) | 59.9 | 74.4 | 62.3 | 72.3 | |
Average number of active threads | 152.279 | 189.853 | 158.232 | 184.550 | |
Affinity Stability (%) | 85.5 | 92.4 | 89.0 | 94.2 | |
GFLOPS | 525.137 | 222.946 | 448.527 | 190.611 | |
Time in analyzed loops (%) | 58.1 | 57.8 | 50.6 | 48.2 | |
Time in analyzed innermost loops (%) | 35.2 | 56.2 | 30.6 | 45.5 | |
Time in user code (%) | 60.9 | 57.9 | 53.0 | 49.2 | |
Compilation Options Score (%) | 100 | 50.0 | 100 | 100 | |
Array Access Efficiency (%) | 67.6 | 65.4 | 67.8 | 70.6 | |
Potential Speedups | ![]() | ||||
Perfect Flow Complexity | 1.01 | 1.00 | 1.01 | 1.36 | |
Perfect OpenMP/MPI/Pthread/TBB | 2.09 | 1.96 | 2.41 | 2.32 | |
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 2.22 | 2.10 | 2.57 | 2.50 | |
No Scalar Integer | Potential Speedup | 1.07 | 1.03 | 1.06 | 1.04 |
Nb Loops to get 80% | 7 | 6 | 7 | 6 | |
FP Vectorised | Potential Speedup | 1.06 | 1.48 | 1.05 | 1.27 |
Nb Loops to get 80% | 3 | 5 | 2 | 5 | |
Fully Vectorised | Potential Speedup | 1.27 | 2.12 | 1.23 | 1.77 |
Nb Loops to get 80% | 11 | 8 | 10 | 7 | |
Only FP Arithmetic | Potential Speedup | 1.52 | 1.07 | 1.43 | 1.09 |
Nb Loops to get 80% | 11 | 9 | 11 | 10 |
Source Object | Issue |
---|---|
▼exec | |
▼pair_eam_intel.cpp | |
○ | |
▼npair_intel.cpp | |
○ | |
▼fix_nve_intel.cpp | |
○ | |
▼fix_intel.cpp | |
○ | |
▼atom.cpp | |
○ | |
▼platform.cpp | |
○ | |
▼neighbor.cpp | |
○ | |
▼domain_omp.cpp | |
○ | |
▼lattice.cpp | |
○ | |
▼verlet.cpp | |
○ | |
▼integrate.cpp | |
○ | |
▼modify.cpp | |
○ | |
▼random_park.cpp | |
○ | |
▼memory.h | |
○ | |
▼pair_eam.cpp | |
○ | |
▼compute_temp.cpp | |
○ | |
▼comm_brick.cpp | |
○ | |
▼atom_vec.cpp | |
○ | |
▼intel_buffers.cpp | |
○ | |
▼create_atoms.cpp | |
○ | |
▼timer.cpp | |
○ | |
▼nbin.cpp | |
○ | |
▼nbin_intel.cpp | |
○ |
r0 | r1 | r2 | r3 | |
---|---|---|---|---|
Experiment Name | ||||
Application | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/orig/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/base_runs/defaults/gcc/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/binaries/icx_2/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/binaries/gcc_3/exec |
Timestamp | 2025-09-16 18:50:31 | 2025-09-16 19:06:26 | 2025-09-16 21:42:22 | 2025-09-16 21:49:41 |
Experiment Type | MPI; | same as r0 | same as r0 | same as r0 |
Machine | isix02.benchmarkcenter.megware.com | same as r0 | same as r0 | same as r0 |
Architecture | x86_64 | same as r0 | same as r0 | same as r0 |
Micro Architecture | GRANITE_RAPIDS | same as r0 | same as r0 | same as r0 |
Model Name | Intel(R) Xeon(R) 6980P | same as r0 | same as r0 | same as r0 |
Cache Size | 516096 KB | same as r0 | same as r0 | same as r0 |
Number of Cores | 128 | same as r0 | same as r0 | same as r0 |
Maximal Frequency | 3.9 GHz | same as r0 | same as r0 | same as r0 |
OS Version | Linux 5.14.0-570.39.1.el9_6.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Sep 4 05:08:52 EDT 2025 | same as r0 | same as r0 | same as r0 |
Architecture used during static analysis | x86_64 | same as r0 | same as r0 | same as r0 |
Micro Architecture used during static analysis | GRANITE_RAPIDS | same as r0 | same as r0 | same 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/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_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 -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/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 | exec: GNU C++17 14.2.0 -mprefer-vector-width=512 -mtune=generic -march=x86-64 -g -O3 -std=c++17 -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fPIC -fopenmp | 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 | exec: GNU C++17 14.2.0 -march=graniterapids -mprefer-vector-width=256 -g -O3 -O3 -std=c++17 -funroll-loops -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fno-finite-math-only -fPIC -fopenmp |
Number of processes observed | 256 | same as r0 | same as r0 | same as r0 |
Number of threads observed | 256 | same as r0 | same as r0 | same as r0 |
Frequency Driver | intel_pstate | same as r0 | same as r0 | same as r0 |
Frequency Governor | performance | same as r0 | same as r0 | same as r0 |
Huge Pages | always | same as r0 | same as r0 | same as r0 |
Hyperthreading | on | same as r0 | same as r0 | same as r0 |
Number of sockets | 2 | same as r0 | same as r0 | same as r0 |
Number of cores per socket | 128 | same as r0 | same as r0 | same as r0 |
MAQAO version | 2025.1.2 | same as r0 | same as r0 | same as r0 |
MAQAO build | d7816a4ef31d96c8cb7cb54a3ec2554ac0d7ef52::20250912-183832 | same as r0 | same as r0 | same as r0 |
Comments | same as r0 | same as r0 | same as r0 |