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 | 51.88 | 7.9 | 7.01 | 96 | 3.92 | 0.54 | Exe (%): 100.00 | 298.73 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 83 - ljForce.c:172-216 - exec [...] | 0.01 | 0.01 | 0 | 96 | 0.02 | 0.00 | 0.00 | |||
►Loop 84 - ljForce.c:178-216 - exec [...] | 0.26 | 0.07 | 0.03 | 96 | 0.09 | 0.01 | 522.57 | |||
►Loop 85 - ljForce.c:187-216 - exec [...] | 0.58 | 0.13 | 0.08 | 96 | 0.12 | 0.02 | 432.64 | |||
○Loop 86 - ljForce.c:191-216 - exec [...] | 51.03 | 7.79 | 6.89 | 96 | 3.87 | 0.53 | 296.53 | |||
○_ZN17_INTERNAL021345c119__kmp_wait_templateI11kmp_flag_64ILb0ELb1EELb1ELb0ELb1EEEbP8kmp_infoPT_Pv | libiomp5.so | 38.34 | 6.41 | 5.18 | 94 | 3.94 | 0.53 | OMP (%): 100.00 | 0.00 | |
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_ | libiomp5.so | 1.94 | 1.42 | 0.26 | 35 | 3.31 | 0.44 | OMP (%): 100.00 | 0.00 | |
►advanceVelocity.extracted | exec | 1.87 | 0.32 | 0.25 | 96 | 0.28 | 0.04 | Exe (%): 100.00 | 19.17 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 91 - timestep.c:71-78 - exec | 0.04 | 0.03 | 0 | 96 | 0.04 | 0.01 | 0.00 | |||
○Loop 92 - timestep.c:74-78 - exec | 1.83 | 0.31 | 0.25 | 96 | 0.27 | 0.04 | 18.16 | |||
►sortAtomsInCell | exec | 1.48 | 0.35 | 0.2 | 96 | 0.52 | 0.07 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○Loop 57 - haloExchange.c:621-629 - exec | 1.43 | 0.34 | 0.19 | 96 | 0.52 | 0.07 | 0.00 | |||
○Loop 58 - haloExchange.c:633-642 - exec | 0.04 | 0.02 | 0.01 | 59 | 0.03 | 0.00 | 0.00 | |||
►ljForce.extracted.27 | exec | 1.08 | 0.2 | 0.15 | 96 | 0.18 | 0.02 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○Loop 88 - ljForce.c:157-158 - exec [...] | 1.08 | 0.2 | 0.15 | 96 | 0.18 | 0.02 | 0.00 | |||
○Loop 87 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 0.95 | 0.19 | 0.13 | 96 | 0.17 | 0.02 | Exe (%): 100.00 | 25.94 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 93 - timestep.c:85-94 - exec | 0.09 | 0.03 | 0.01 | 95 | 0.05 | 0.01 | 112.80 | |||
○Loop 94 - timestep.c:88-94 - exec | 0.87 | 0.17 | 0.12 | 96 | 0.17 | 0.02 | 18.70 | |||
○Loop 95 - timestep.c:88-94 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv | libiomp5.so | 0.57 | 0.13 | 0.08 | 96 | 0.16 | 0.02 | OMP (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.32 | 2.05 | 0.04 | 2 | 0.07 | 0.01 | Exe (%): 100.00 | 60.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 79 - linkCells.c:209-371 - exec [...] | 0.01 | 0.08 | 0 | 2 | 0.25 | 0.03 | 0.00 | |||
○Loop 80 - linkCells.c:209-371 - exec [...] | 0.31 | 2.02 | 0.04 | 2 | 0.32 | 0.04 | 58.74 | |||
►__intel_avx_rep_memset | exec | 0.3 | 0.09 | 0.04 | 96 | 0.11 | 0.02 | Memory (%): 100.00 | 0.00 | |
○Loop 126 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○msort_with_tmp.part.0 | libc.so.6 | 0.19 | 0.05 | 0.03 | 95 | 0.08 | 0.01 | Others (%): 100.00 | 0.00 | |
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.16 | 0.19 | 0.02 | 27 | 0.48 | 0.07 | OMP (%): 100.00 | 0.00 | |
○putAtomInBox | exec | 0.13 | 0.87 | 0.02 | 2 | 0.06 | 0.01 | Exe (%): 100.00 | 11.48 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○unknown_kernel_region | kernel | 0.12 | 0.15 | 0.02 | 93 | 0.15 | 0.02 | System (%): 86.98 MPI (%): 12.70 OMP (%): 0.32 | 1.30 | |
►kineticEnergy.extracted | exec | 0.11 | 0.04 | 0.02 | 96 | 0.05 | 0.01 | Exe (%): 100.00 | 16.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 98 - timestep.c:107-116 - exec | 0.01 | 0.01 | 0 | 40 | 0.03 | 0.00 | 0.00 | |||
○Loop 99 - timestep.c:110-116 - exec | 0.1 | 0.04 | 0.01 | 93 | 0.05 | 0.01 | 23.80 | |||
○sortAtomsById | exec | 0.1 | 0.04 | 0.01 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○__memcpy_avx512_unaligned_erms | libc.so.6 | 0.1 | 0.04 | 0.01 | 92 | 0.06 | 0.01 | Memory (%): 100.00 | 0.00 | |
○__GI___qsort_r | libc.so.6 | 0.08 | 0.04 | 0.01 | 81 | 0.05 | 0.01 | Others (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.05 | 0.3 | 0.01 | 2 | 0.03 | 0.00 | Exe (%): 100.00 | 15.10 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 44 - haloExchange.c:376-389 - exec | 0 | 0.02 | 0 | 2 | 0.08 | 0.01 | 0.00 | |||
○Loop 45 - haloExchange.c:380-389 - exec | 0.04 | 0.3 | 0.01 | 2 | 0.05 | 0.01 | 14.00 | |||
○__GI___sched_yield | libc.so.6 | 0.04 | 0.02 | 0 | 62 | 0.03 | 0.00 | System (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.03 | 0.01 | 0 | 78 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 71 - initAtoms.c:194-202 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 72 - initAtoms.c:197-202 - exec | 0.03 | 0.01 | 0 | 78 | 0.01 | 0.00 | 0.00 | |||
○impi_pause | libmpi.so.12.0.0 | 0.02 | 0.12 | 0 | 2 | 0.14 | 0.02 | MPI (%): 100.00 | 0.00 | |
►computeVcm.extracted | exec | 0.02 | 0.01 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 65 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 66 - initAtoms.c:221-228 - exec | 0.02 | 0.01 | 0 | 40 | 0.01 | 0.00 | 0.00 | |||
○__kmp_yield | libiomp5.so | 0.02 | 0.01 | 0 | 45 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►setTemperature.extracted | exec | 0.01 | 0 | 0 | 20 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 67 - initAtoms.c:174-181 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 68 - initAtoms.c:177-181 - exec | 0.01 | 0 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
○getBoxFromTuple | exec | 0.01 | 0.08 | 0 | 2 | 0.08 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►setVcm.extracted | exec | 0.01 | 0.01 | 0 | 19 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
►Loop 62 - initAtoms.c:123-133 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - initAtoms.c:126-133 - exec | 0.01 | 0.01 | 0 | 18 | 0.02 | 0.00 | 0.00 | |||
○Loop 63 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○mkSeed | exec | 0.01 | 0.01 | 0 | 93 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○I_MPI_memcpy_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.07 | 0 | 2 | 0.03 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__libm_log_z0 | exec | 0.01 | 0.01 | 0 | 70 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►gasdev | exec | 0.01 | 0.01 | 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_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/... |
○Loop 89 - random.c:27-48 - exec [...] | 0.01 | 0.01 | 0 | 78 | 0.02 | 0.00 | 0.00 | |||
○I_MPI_memcpy_multipage_avx512 | libmpi.so.12.0.0 | 0.01 | 0.09 | 0 | 2 | 0.19 | 0.02 | MPI (%): 100.00 | 0.00 |