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Metric | r0 | r1 | r2 | r3 |
---|
Total Time (s) | 136.27 | 216.40 | 134.04 | 226.95 |
Max (Thread Active Time) (s) | 122.15 | 204.20 | 120.23 | 208.29 |
Average Active Time (s) | 110.41 | 173.63 | 109.08 | 177.43 |
Activity Ratio (%) | 81.4 | 80.5 | 81.7 | 78.4 |
Average number of active threads | 207.431 | 205.405 | 208.339 | 200.147 |
Affinity Stability (%) | 91.8 | 95.6 | 91.9 | 95.4 |
GFLOPS | 297.319 | 191.504 | 302.384 | 179.720 |
Time in analyzed loops (%) | 75.3 | 52.0 | 76.6 | 50.1 |
Time in analyzed innermost loops (%) | 72.4 | 50.2 | 73.8 | 47.7 |
Time in user code (%) | 75.5 | 52.2 | 76.8 | 50.3 |
Compilation Options Score (%) | 100 | 50.0 | 100 | 100 |
Array Access Efficiency (%) | 51.5 | 45.3 | 51.5 | 56.5 |
|
Potential Speedups |  |
Perfect Flow Complexity | 2.29 | 1.70 | 2.35 | 1.64 |
Perfect OpenMP/MPI/Pthread/TBB | 1.34 | 2.06 | 1.30 | 2.13 |
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.46 | 2.25 | 1.43 | 2.33 |
No Scalar Integer | Potential Speedup | 1.23 | 1.11 | 1.17 | 1.14 |
Nb Loops to get 80% | 2 | 3 | 3 | 3 |
FP Vectorised | Potential Speedup | 1.47 | 1.35 | 1.48 | 1.27 |
Nb Loops to get 80% | 3 | 3 | 3 | 3 |
Fully Vectorised | Potential Speedup | 2.53 | 1.79 | 2.60 | 1.72 |
Nb Loops to get 80% | 4 | 3 | 4 | 3 |
Only FP Arithmetic | Potential Speedup | 1.35 | 1.14 | 1.33 | 1.19 |
Nb Loops to get 80% | 3 | 3 | 3 | 3 |
Source Object | Issue |
▼exec– | |
▼npair_bin.cpp– | |
○ | |
▼fix_nve.cpp– | |
○ | |
▼verlet.cpp– | |
○ | |
▼nbin.cpp– | |
○ | |
▼pair.cpp– | |
○ | |
▼pair_eam.cpp– | |
○ | |
▼atom.cpp– | |
○ | |
▼nbin_standard.cpp– | |
○ | |
▼neighbor.cpp– | |
○ | |
▼compute_temp.cpp– | |
○ | |
▼atom_vec.cpp– | |
○ | |
▼comm_brick.cpp– | |
○ | |
▼domain_omp.cpp– | |
○ | |
Source Object | Issue |
▼exec– | |
▼npair_bin.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼fix_nve.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼nbin.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼pair.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼pair_eam.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼nbin_standard.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼neighbor.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼domain_omp.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼atom_vec.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼comm_brick.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
▼compute_temp.cpp– | |
○ | -march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native. |
○ | -funroll-loops is missing. |
Source Object | Issue |
▼exec– | |
▼lattice.cpp– | |
○ | |
▼fix_nve.cpp– | |
○ | |
▼verlet.cpp– | |
○ | |
▼nbin.cpp– | |
○ | |
▼pair.cpp– | |
○ | |
▼pair_eam.cpp– | |
○ | |
▼nbin_standard.cpp– | |
○ | |
▼compute_temp.cpp– | |
○ | |
▼neighbor.cpp– | |
○ | |
▼comm_brick.cpp– | |
○ | |
▼atom_vec.cpp– | |
○ | |
▼domain_omp.cpp– | |
○ | |
▼npair_bin.cpp– | |
○ | |
Source Object | Issue |
▼exec– | |
▼npair_bin.cpp– | |
○ | |
▼fix_nve.cpp– | |
○ | |
▼nbin.cpp– | |
○ | |
▼pair.cpp– | |
○ | |
▼pair_eam.cpp– | |
○ | |
▼nbin_standard.cpp– | |
○ | |
▼neighbor.cpp– | |
○ | |
▼domain_omp.cpp– | |
○ | |
▼atom_vec.cpp– | |
○ | |
▼comm_brick.cpp– | |
○ | |
▼compute_temp.cpp– | |
○ | |
| r0 | r1 | r2 | r3 |
Experiment Name | | | | |
Application | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/defaults/orig/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/base_runs/defaults/gcc/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/binaries/icx_9/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/binaries/gcc_5/exec |
Timestamp | 2025-09-16 19:02:54 | 2025-09-16 19:19:53 | 2025-09-16 22:26:25 | 2025-09-16 22:34:31 |
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 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_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/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_OPENMP -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/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/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_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.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_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/build/icx_9/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_OPENMP -D MPICH_SKIP_MPICXX -D OMPI_SKIP_MPICXX -D _MPICC_H -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/include -ffp-model=fast -qoverride-limits -O2 -x GRANITERAPIDS -mprefer-vector-width=128 -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/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_ZEN5/175-803-9958/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY/pair_eam.cpp -fveclib=SVML -fheinous-gnu-extensions | 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 |