options

Help is available by moving the cursor above any symbol or by checking MAQAO website.

Global Metrics

Metricr0r1r2r3r4
Total Time (s)125.76111.81159.70118.77153.56
Max (Thread Active Time) (s)123.65108.67146.62116.95151.03
Average Active Time (s)108.8783.37121.49102.21116.84
Activity Ratio (%)86.874.876.286.376.2
Average number of active threads166.215143.158146.066165.222146.086
Affinity Stability (%)98.897.898.698.898.8
Time in analyzed loops (%)64.446.264.370.467.9
Time in analyzed innermost loops (%)62.826.662.568.764.8
Time in user code (%)66.048.365.772.169.4
Compilation Options Score (%)10066.775.010087.5
Array Access Efficiency (%)75.252.681.275.374.6
Potential Speedups
Perfect Flow Complexity1.011.001.001.011.63
Perfect OpenMP/MPI/Pthread/TBB1.592.451.741.491.76
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.672.541.791.541.82
No Scalar IntegerPotential Speedup1.111.021.081.141.09
Nb Loops to get 80%211524
FP VectorisedPotential Speedup1.361.051.321.431.24
Nb Loops to get 80%43545
Fully VectorisedPotential Speedup2.261.192.312.572.71
Nb Loops to get 80%776811
Only FP ArithmeticPotential Speedup1.181.531.231.211.30
Nb Loops to get 80%69567

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
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

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - orig_default

Run 2 - icx_default

Run 3 - gcc_default

Run 4 - aocc_1

Run 5 - gcc_10

Experiment Summaries

r0r1r2r3r4
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
Timestamp2025-09-15 19:34:252025-09-15 19:40:582025-09-15 19:49:492025-09-15 21:52:232025-09-15 21:55:22
Experiment TypeMPI; same as r0same as r0same as r0same as r0
Machinegmz12.benchmarkcenter.megware.comsame as r0same as r0same as r0same as r0
Architecturex86_64same as r0same as r0same as r0same as r0
Micro ArchitectureZEN_V5same as r0same as r0same as r0same as r0
Model NameAMD EPYC 9655 96-Core Processorsame as r0same as r0same as r0same as r0
Cache Size1024 KBsame as r0same as r0same as r0same as r0
Number of Cores96same as r0same as r0same as r0same as r0
Maximal Frequency4.509375 GHzsame 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 r0
Architecture used during static analysisx86_64same as r0same as r0same as r0same as r0
Micro Architecture used during static analysisZEN_V5same as r0same as r0same as r0same 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 observed192same as r0same as r0same as r0same as r0
Number of threads observed192same as r0same as r0same as r0same as r0
Frequency Driveracpi-cpufreqsame as r0same as r0same as r0same as r0
Frequency Governorperformancesame as r0same as r0same as r0same as r0
Huge Pagesalwayssame as r0same as r0same as r0same as r0
Hyperthreadingonsame as r0same as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0same as r0
Number of cores per socket96same as r0same as r0same as r0same as r0
MAQAO version2025.1.2same as r0same as r0same as r0same as r0
MAQAO buildd7816a4ef31d96c8cb7cb54a3ec2554ac0d7ef52::20250912-183832same as r0same as r0same as r0same as r0
Commentssame as r0same as r0same as r0same as r0
×