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| Metric | r0 | r1 | r2 | r3 | r4 | |
|---|---|---|---|---|---|---|
| Total Time (s) | 125.76 | 111.81 | 159.70 | 118.77 | 153.56 | |
| Max (Thread Active Time) (s) | 123.65 | 108.67 | 146.62 | 116.95 | 151.03 | |
| Average Active Time (s) | 108.87 | 83.37 | 121.49 | 102.21 | 116.84 | |
| Activity Ratio (%) | 86.8 | 74.8 | 76.2 | 86.3 | 76.2 | |
| Average number of active threads | 166.215 | 143.158 | 146.066 | 165.222 | 146.086 | |
| Affinity Stability (%) | 98.8 | 97.8 | 98.6 | 98.8 | 98.8 | |
| Time in analyzed loops (%) | 64.4 | 46.2 | 64.3 | 70.4 | 67.9 | |
| Time in analyzed innermost loops (%) | 62.8 | 26.6 | 62.5 | 68.7 | 64.8 | |
| Time in user code (%) | 66.0 | 48.3 | 65.7 | 72.1 | 69.4 | |
| Compilation Options Score (%) | 100 | 66.7 | 75.0 | 100 | 87.5 | |
| Array Access Efficiency (%) | 75.2 | 52.6 | 81.2 | 75.3 | 74.6 | |
| Potential Speedups | ||||||
| Perfect Flow Complexity | 1.01 | 1.00 | 1.00 | 1.01 | 1.63 | |
| Perfect OpenMP/MPI/Pthread/TBB | 1.59 | 2.45 | 1.74 | 1.49 | 1.76 | |
| Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution | 1.67 | 2.54 | 1.79 | 1.54 | 1.82 | |
| No Scalar Integer | Potential Speedup | 1.11 | 1.02 | 1.08 | 1.14 | 1.09 |
| Nb Loops to get 80% | 2 | 11 | 5 | 2 | 4 | |
| FP Vectorised | Potential Speedup | 1.36 | 1.05 | 1.32 | 1.43 | 1.24 |
| Nb Loops to get 80% | 4 | 3 | 5 | 4 | 5 | |
| Fully Vectorised | Potential Speedup | 2.26 | 1.19 | 2.31 | 2.57 | 2.71 |
| Nb Loops to get 80% | 7 | 7 | 6 | 8 | 11 | |
| Only FP Arithmetic | Potential Speedup | 1.18 | 1.53 | 1.23 | 1.21 | 1.30 |
| Nb Loops to get 80% | 6 | 9 | 5 | 6 | 7 | |
| Source Object | Issue |
|---|---|
| ▼exec | |
| ▼pair_eam_intel.cpp | |
| ○ | |
| ▼npair_intel.cpp | |
| ○ | |
| ▼fix_nve_intel.cpp | |
| ○ | |
| ▼intel_buffers.cpp | |
| ○ | |
| ▼comm_brick.cpp | |
| ○ | |
| ▼fix_intel.cpp | |
| ○ | |
| ▼pair_eam.cpp | |
| ○ | |
| ▼nbin.cpp | |
| ○ | |
| ▼atom.cpp | |
| ○ | |
| ▼compute_temp.cpp | |
| ○ | |
| ▼neighbor.cpp | |
| ○ | |
| ▼verlet.cpp | |
| ○ | |
| ▼atom_vec.cpp | |
| ○ | |
| ▼domain_omp.cpp | |
| ○ | |
| ▼nbin_intel.cpp | |
| ○ |
| r0 | r1 | r2 | r3 | r4 | |
|---|---|---|---|---|---|
| Experiment Name | |||||
| Application | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/run/oneview_runs/defaults/orig/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/run/base_runs/defaults/icx/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/run/base_runs/defaults/gcc/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/run/binaries/aocc_1/exec | /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/run/binaries/gcc_10/exec |
| Timestamp | 2025-09-15 19:34:25 | 2025-09-15 19:40:58 | 2025-09-15 19:49:49 | 2025-09-15 21:52:23 | 2025-09-15 21:55:22 |
| Experiment Type | MPI; | same as r0 | same as r0 | same as r0 | same as r0 |
| Machine | gmz12.benchmarkcenter.megware.com | same as r0 | same as r0 | same as r0 | same as r0 |
| Architecture | x86_64 | same as r0 | same as r0 | same as r0 | same as r0 |
| Micro Architecture | ZEN_V5 | same as r0 | same as r0 | same as r0 | same as r0 |
| Model Name | AMD EPYC 9655 96-Core Processor | same as r0 | same as r0 | same as r0 | same as r0 |
| Cache Size | 1024 KB | same as r0 | same as r0 | same as r0 | same as r0 |
| Number of Cores | 96 | same as r0 | same as r0 | same as r0 | same as r0 |
| Maximal Frequency | 4.509375 GHz | same as r0 | 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 | same as r0 |
| Architecture used during static analysis | x86_64 | same as r0 | same as r0 | same as r0 | same as r0 |
| Micro Architecture used during static analysis | ZEN_V5 | same as r0 | same as r0 | same as r0 | same as r0 |
| Compilation Options | exec: AMD clang version 17.0.6 (CLANG: AOCC_5.0.0-Build#1377 2024_09_24) /home/eoseret/aocc-compiler-5.0.0/bin/clang-17 --driver-mode=g++ -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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/build/lammps/cmake/styles -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/include -isystem /cluster/intel/oneapi/2024.0.0/tbb/2021.11/include -O3 -ffast-math -march=native -mprefer-vector-width=512 -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -std=c++17 -fPIC -fopenmp=libomp -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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL/pair_eam_intel.cpp -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include | 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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/icx/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 -ffp-model=fast -march=native -mprefer-vector-width=512 -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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL/pair_eam_intel.cpp -fveclib=SVML -fheinous-gnu-extensions | exec: GNU C++17 14.2.0 -march=znver5 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -msse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mavx512vbmi -mavx512ifma -mavx512vpopcntdq -mavx512vbmi2 -mgfni -mvpclmulqdq -mavx512vnni -mavx512bitalg -mavx512bf16 -mavx512vp2intersect -mno-3dnow -madx -mabm -mno-cldemote -mclflushopt -mclwb -mclzero -mcx16 -mno-enqcmd -mf16c -mfsgsbase -mfxsr -mno-hle -msahf -mno-lwp -mlzcnt -mmovbe -mmovdir64b -mmovdiri -mmwaitx -mno-pconfig -mpku -mprfchw -mno-ptwrite -mrdpid -mrdrnd -mrdseed -mno-rtm -mno-serialize -mno-sgx -msha -mshstk -mno-tbm -mno-tsxldtrk -mvaes -mno-waitpkg -mwbnoinvd -mxsave -mxsavec -mxsaveopt -mxsaves -mno-amx-tile -mno-amx-int8 -mno-amx-bf16 -mno-uintr -mno-hreset -mno-kl -mno-widekl -mavxvnni -mno-avx512fp16 -mno-avxifma -mno-avxvnniint8 -mno-avxneconvert -mno-cmpccxadd -mno-amx-fp16 -mno-prefetchi -mno-raoint -mno-amx-complex -mno-avxvnniint16 -mno-sm3 -mno-sha512 -mno-sm4 -mno-apxf -mno-usermsr --param=l1-cache-size=48 --param=l1-cache-line-size=64 --param=l2-cache-size=1024 -mtune=znver5 -mprefer-vector-width=512 -g -O3 -std=c++17 -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fPIC -fopenmp | exec: AMD clang version 17.0.6 (CLANG: AOCC_5.0.0-Build#1377 2024_09_24) /home/eoseret/aocc-compiler-5.0.0/bin/clang-17 --driver-mode=g++ -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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/third_party -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/ASPHERE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/CLASS2 -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/DPD-BASIC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/KSPACE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MANYBODY -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MEAM -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MISC -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/MOLECULE -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/REPLICA -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/RIGID -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPENMP -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/OPT -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL -I /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-795-6450/intel/LAMMPS/build/aocc_1/lammps/cmake/styles -isystem /cluster/intel/oneapi/2024.0.0/mkl/2024.0/include -isystem /cluster/intel/oneapi/2024.0.0/tbb/2021.11/include -O3 -ffast-math -O3 -march=znver5 -ffast-math -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -fno-finite-math-only -std=c++17 -fPIC -fopenmp=libomp -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_ZEN5/175-795-6450/intel/LAMMPS/build/LAMMPS/lammps/src/INTEL/pair_eam_intel.cpp -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include | exec: GNU C++17 14.2.0 -march=znver5 -g -O2 -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 | 192 | same as r0 | same as r0 | same as r0 | same as r0 |
| Number of threads observed | 192 | same as r0 | same as r0 | same as r0 | same as r0 |
| Frequency Driver | acpi-cpufreq | same as r0 | same as r0 | same as r0 | same as r0 |
| Frequency Governor | performance | same as r0 | same as r0 | same as r0 | same as r0 |
| Huge Pages | always | same as r0 | same as r0 | same as r0 | same as r0 |
| Hyperthreading | on | same as r0 | same as r0 | same as r0 | same as r0 |
| Number of sockets | 2 | same as r0 | same as r0 | same as r0 | same as r0 |
| Number of cores per socket | 96 | same as r0 | same as r0 | same as r0 | same as r0 |
| MAQAO version | 2025.1.2 | same as r0 | same as r0 | same as r0 | same as r0 |
| MAQAO build | d7816a4ef31d96c8cb7cb54a3ec2554ac0d7ef52::20250912-183832 | same as r0 | same as r0 | same as r0 | same as r0 |
| Comments | same as r0 | same as r0 | same as r0 | same as r0 |