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| Metric | r0 | r1 | r2 | r3 | |
|---|---|---|---|---|---|
| Total Time (s) | 107.83 | 112.62 | 108.66 | 107.06 | |
| Max (Thread Active Time) (s) | 92.39 | 99.71 | 93.20 | 95.12 | |
| Average Active Time (s) | 91.71 | 99.38 | 92.50 | 95.04 | |
| Activity Ratio (%) | 85.6 | 88.7 | 85.3 | 89.4 | |
| Average number of active threads | 217.726 | 225.906 | 217.941 | 227.270 | |
| Affinity Stability (%) | 87.5 | 89.3 | 87.1 | 90.2 | |
| GFLOPS | 393.721 | 392.592 | 390.299 | 394.030 | |
| Time in analyzed loops (%) | 90.6 | 90.2 | 91.0 | 92.6 | |
| Time in analyzed innermost loops (%) | 87.3 | 87.1 | 87.7 | 88.2 | |
| Time in user code (%) | 90.9 | 90.5 | 91.3 | 92.9 | |
| Compilation Options Score (%) | 100 | 50.0 | 100 | 100 | |
| Array Access Efficiency (%) | 51.7 | 45.5 | 51.9 | 56.7 | |
| Potential Speedups | |||||
| Perfect Flow Complexity | 3.06 | 3.50 | 3.08 | 3.59 | |
| Perfect OpenMP/MPI/Pthread/TBB | 1.02 | 1.02 | 1.02 | 1.01 | |
| Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.10 | 1.10 | 1.10 | 1.07 | |
| No Scalar Integer | Potential Speedup | 1.30 | 1.21 | 1.30 | 1.30 |
| Nb Loops to get 80% | 3 | 3 | 3 | 3 | |
| FP Vectorised | Potential Speedup | 1.66 | 1.83 | 1.67 | 1.64 |
| Nb Loops to get 80% | 3 | 3 | 3 | 3 | |
| Fully Vectorised | Potential Speedup | 3.63 | 4.27 | 3.67 | 4.41 |
| Nb Loops to get 80% | 4 | 5 | 5 | 6 | |
| Only FP Arithmetic | Potential Speedup | 1.50 | 1.28 | 1.50 | 1.41 |
| Nb Loops to get 80% | 3 | 3 | 3 | 4 | |
| Source Object | Issue |
|---|---|
| ▼exec | |
| ▼nbin.cpp | |
| ○ | |
| ▼atom.cpp | |
| ○ | |
| ▼platform.cpp | |
| ○ | |
| ▼neighbor.cpp | |
| ○ | |
| ▼domain_omp.cpp | |
| ○ | |
| ▼lattice.cpp | |
| ○ | |
| ▼fix_nve.cpp | |
| ○ | |
| ▼verlet.cpp | |
| ○ | |
| ▼pair.cpp | |
| ○ | |
| ▼random_park.cpp | |
| ○ | |
| ▼create_atoms.cpp | |
| ○ | |
| ▼pair_eam.cpp | |
| ○ | |
| ▼compute_temp.cpp | |
| ○ | |
| ▼memory.h | |
| ○ | |
| ▼comm_brick.cpp | |
| ○ | |
| ▼modify.cpp | |
| ○ | |
| ▼compute.cpp | |
| ○ | |
| ▼atom_vec.cpp | |
| ○ | |
| ▼nbin_standard.cpp | |
| ○ | |
| ▼npair_bin.cpp | |
| ○ |
| r0 | r1 | r2 | r3 | |
|---|---|---|---|---|
| Experiment Name | ||||
| Application | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/orig/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/base_runs/defaults/gcc/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/binaries/icx_2/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/binaries/gcc_5/exec |
| Timestamp | 2025-09-17 21:00:42 | 2025-09-17 21:17:10 | 2025-09-18 00:18:17 | 2025-09-18 00:26:05 |
| Experiment Type | MPI; | same as r0 | same as r0 | same as r0 |
| Machine | isix03.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 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_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/build/lammps/cmake/styles -isystem /cluster/intel/oneapi/2025.1.0/mkl/2025.1/include -O3 -x Host -mprefer-vector-width=512 -ffp-model=fast -qoverride-limits -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_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.cpp -I /cluster/intel/oneapi/2025.1.0/mpi/2021.15/include -fveclib=SVML | 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 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_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/build/icx_2/lammps/cmake/styles -isystem /cluster/intel/oneapi/2025.1.0/mkl/2025.1/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/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_ZEN5/175-813-3573/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.cpp -I /cluster/intel/oneapi/2025.1.0/mpi/2021.15/include -fveclib=SVML | exec: GNU C++17 14.2.0 -march=graniterapids -g -O3 -O3 -std=c++17 -fno-tree-vectorize -fno-openmp-simd -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 |