Name | Module | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Deviation (coverage) run_0 | Deviation (walltime) run_0 | Categories run_0 | GFLOPS run_0 | Compilation Options |
---|---|---|---|---|---|---|---|---|---|---|
►ljForce.extracted | exec | 45.07 | 7.8 | 6.86 | 96 | 3.51 | 0.54 | Exe (%): 100.00 | 217.52 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 90 - ljForce.c:172-216 - exec [...] | 0.02 | 0.01 | 0 | 96 | 0.02 | 0.00 | 0.00 | |||
►Loop 91 - ljForce.c:178-216 - exec [...] | 0.2 | 0.07 | 0.03 | 96 | 0.09 | 0.01 | 323.81 | |||
►Loop 92 - ljForce.c:187-216 - exec [...] | 0.48 | 0.11 | 0.07 | 96 | 0.12 | 0.02 | 329.17 | |||
○Loop 93 - ljForce.c:191-216 - exec [...] | 44.37 | 7.69 | 6.76 | 96 | 3.50 | 0.53 | 215.81 | |||
○_ZN17_INTERNAL021345c119__kmp_wait_templateI11kmp_flag_64ILb0ELb1EELb1ELb0ELb1EEEbP8kmp_infoPT_Pv | libiomp5.so | 33.04 | 7.13 | 5.03 | 94 | 5.03 | 0.77 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.25 | exec | 5.5 | 1.1 | 0.84 | 96 | 1.10 | 0.16 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
○Loop 89 - ljForce.c:157-158 - exec [...] | 5.5 | 1.1 | 0.84 | 96 | 1.10 | 0.16 | 0.00 | |||
○Loop 88 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 4.46 | 0.93 | 0.68 | 96 | 1.23 | 0.19 | Exe (%): 100.00 | 5.57 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 100 - timestep.c:71-78 - exec | 0.11 | 0.05 | 0.02 | 96 | 0.07 | 0.01 | 11.15 | |||
○Loop 101 - timestep.c:74-78 - exec | 4.34 | 0.93 | 0.66 | 96 | 1.21 | 0.18 | 5.40 | |||
►sortAtomsInCell | exec | 4.24 | 0.84 | 0.65 | 96 | 0.96 | 0.14 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
○Loop 59 - haloExchange.c:621-629 - exec | 4.18 | 0.83 | 0.64 | 96 | 0.95 | 0.14 | 0.00 | |||
○Loop 60 - haloExchange.c:633-642 - exec | 0.03 | 0.02 | 0 | 59 | 0.02 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 2.64 | 0.52 | 0.4 | 96 | 0.61 | 0.09 | Exe (%): 100.00 | 6.38 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 102 - timestep.c:85-94 - exec | 0.06 | 0.04 | 0.01 | 96 | 0.05 | 0.01 | 17.05 | |||
○Loop 103 - timestep.c:88-94 - exec | 2.57 | 0.51 | 0.39 | 96 | 0.60 | 0.09 | 6.11 | |||
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_ | libiomp5.so | 1.75 | 1.52 | 0.27 | 39 | 3.11 | 0.47 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.66 | 0.22 | 0.1 | 96 | 0.37 | 0.06 | Memory (%): 100.00 | 0.00 | |
○Loop 128 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.54 | 1.37 | 0.08 | 29 | 3.08 | 0.47 | OMP (%): 100.00 | 0.00 | |
○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv | libiomp5.so | 0.47 | 0.14 | 0.07 | 96 | 0.15 | 0.02 | OMP (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.31 | 2.25 | 0.05 | 2 | 0.07 | 0.02 | Exe (%): 100.00 | 48.49 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 84 - linkCells.c:209-371 - exec [...] | 0 | 0.03 | 0 | 2 | 0.05 | 0.01 | 0.00 | |||
○Loop 85 - linkCells.c:209-371 - exec [...] | 0.3 | 2.23 | 0.05 | 2 | 0.12 | 0.03 | 47.00 | |||
○msort_with_tmp.part.0 | libc.so.6 | 0.22 | 0.06 | 0.03 | 95 | 0.10 | 0.01 | Others (%): 100.00 | 0.00 | |
►kineticEnergy.extracted | exec | 0.21 | 0.06 | 0.03 | 96 | 0.08 | 0.01 | Exe (%): 100.00 | 13.92 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 97 - timestep.c:107-116 - exec | 0 | 0 | 0 | 26 | 0.02 | 0.00 | 0.00 | |||
○Loop 99 - timestep.c:110-116 - exec | 0.2 | 0.05 | 0.03 | 96 | 0.08 | 0.01 | 11.35 | |||
○Loop 98 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 41 | 0.02 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.15 | 0.11 | 0.02 | 96 | 0.12 | 0.02 | System (%): 94.70 MPI (%): 4.84 OMP (%): 0.46 | 0.75 | |
○__memcpy_avx512_unaligned_erms | libc.so.6 | 0.15 | 0.1 | 0.02 | 91 | 0.11 | 0.02 | Memory (%): 100.00 | 0.00 | |
○__GI___qsort_r | libc.so.6 | 0.12 | 0.05 | 0.02 | 93 | 0.08 | 0.01 | Others (%): 100.00 | 0.00 | |
○sortAtomsById | exec | 0.1 | 0.04 | 0.02 | 91 | 0.06 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
○putAtomInBox | exec | 0.06 | 0.5 | 0.01 | 2 | 0.32 | 0.05 | Exe (%): 100.00 | 20.70 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►loadAtomsBuffer | exec | 0.04 | 0.31 | 0.01 | 2 | 0.04 | 0.00 | Exe (%): 100.00 | 14.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 46 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
○Loop 47 - haloExchange.c:380-389 - exec | 0.04 | 0.31 | 0.01 | 2 | 0.06 | 0.01 | 13.85 | |||
►setTemperature.extracted | exec | 0.03 | 0 | 0 | 94 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 74 - initAtoms.c:174-181 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 75 - initAtoms.c:177-181 - exec | 0.03 | 0 | 0 | 83 | 0.00 | 0.00 | 0.00 | |||
○__kmp_yield | libiomp5.so | 0.02 | 0.01 | 0 | 47 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
○impi_pause | libmpi.so.12.0.0 | 0.02 | 0.26 | 0 | 2 | 1.18 | 0.17 | MPI (%): 100.00 | 0.00 | |
►setVcm.extracted | exec | 0.02 | 0 | 0 | 55 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 67 - initAtoms.c:123-133 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 68 - initAtoms.c:126-133 - exec | 0.02 | 0 | 0 | 53 | 0.00 | 0.00 | 0.00 | |||
○__GI___libc_free | libc.so.6 | 0.02 | 0.02 | 0 | 32 | 0.03 | 0.00 | Memory (%): 100.00 | 0.00 | |
○.plt.sec@start | libc.so.6 | 0.02 | 0.02 | 0 | 42 | 0.03 | 0.00 | System (%): 100.00 | 0.00 | |
○__GI___sched_yield | libc.so.6 | 0.02 | 0.02 | 0 | 53 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
○I_MPI_memcpy_multipage_avx512 | libmpi.so.12.0.0 | 0.01 | 0.05 | 0 | 2 | 0.05 | 0.01 | MPI (%): 100.00 | 0.00 | |
○__libm_log_l9 | exec | 0.01 | 0 | 0 | 62 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○__GI_qsort | libc.so.6 | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○getBoxFromTuple | exec | 0.01 | 0.05 | 0 | 2 | 0.05 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►computeVcm.extracted | exec | 0.01 | 0 | 0 | 48 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 64 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 66 - initAtoms.c:221-228 - exec | 0.01 | 0 | 0 | 46 | 0.01 | 0.00 | 0.00 | |||
○Loop 65 - initAtoms.c:221-228 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►randomDisplacements.extracted | exec | 0.01 | 0 | 0 | 44 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 76 - initAtoms.c:194-202 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 77 - initAtoms.c:197-202 - exec [...] | 0.01 | 0 | 0 | 44 | 0.01 | 0.00 | 0.00 | |||
○impi_reduce_local_11way | libmpi.so.12.0.0 | 0.01 | 0.05 | 0 | 2 | 0.10 | 0.01 | MPI (%): 100.00 | 0.00 | |
○I_MPI_memcpy_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.09 | 0 | 2 | 0.19 | 0.03 | MPI (%): 100.00 | 0.00 | |
►setTemperature.extracted.30 | exec | 0.01 | 0 | 0 | 96 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q... |
►Loop 69 - initAtoms.c:151-162 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 73 - initAtoms.c:154-162 - exec [...] | 0.01 | 0 | 0 | 96 | 0.01 | 0.00 | 0.00 | |||
○Loop 70 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 21 | 0.02 | 0.00 | 0.00 | |||
○Loop 71 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
○Loop 72 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 34 | 0.00 | 0.00 | 0.00 |