| 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 | 45.89 | 8.17 | 7.29 | 96 | 3.54 | 0.57 | Exe (%): 100.00 | 211.67 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 85 - ljForce.c:172-216 - exec [...] | 0.02 | 0.01 | 0 | 96 | 0.02 | 0.00 | 0.00 | |||
| ►Loop 86 - ljForce.c:178-216 - exec [...] | 0.25 | 0.07 | 0.04 | 96 | 0.09 | 0.01 | 294.50 | |||
| ►Loop 87 - ljForce.c:187-216 - exec [...] | 0.54 | 0.14 | 0.09 | 96 | 0.13 | 0.02 | 266.40 | |||
| ○Loop 88 - ljForce.c:191-216 - exec [...] | 45.08 | 8.02 | 7.16 | 96 | 3.52 | 0.56 | 210.44 | |||
| ○_ZN17_INTERNAL021345c119__kmp_wait_templateI11kmp_flag_64ILb0ELb1EELb1ELb0ELb1EEEbP8kmp_infoPT_Pv | libiomp5.so | 32.76 | 7.19 | 5.2 | 94 | 4.96 | 0.79 | OMP (%): 100.00 | 0.00 | |
| ►ljForce.extracted.27 | exec | 5.47 | 1.14 | 0.87 | 96 | 1.08 | 0.17 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○Loop 90 - ljForce.c:157-158 - exec [...] | 5.47 | 1.14 | 0.87 | 96 | 1.08 | 0.17 | 0.00 | |||
| ○Loop 89 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►advanceVelocity.extracted | exec | 4.29 | 0.94 | 0.68 | 96 | 1.16 | 0.18 | Exe (%): 100.00 | 6.61 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 93 - timestep.c:71-78 - exec | 0.04 | 0.03 | 0.01 | 96 | 0.05 | 0.01 | 38.90 | |||
| ○Loop 95 - timestep.c:74-78 - exec | 3.75 | 0.87 | 0.59 | 96 | 1.04 | 0.16 | 5.52 | |||
| ○Loop 94 - timestep.c:74-78 - exec | 0.5 | 0.17 | 0.08 | 96 | 0.22 | 0.03 | 10.57 | |||
| ○Loop 96 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►sortAtomsInCell | exec | 4.12 | 0.88 | 0.66 | 96 | 0.97 | 0.15 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○Loop 57 - haloExchange.c:621-629 - exec | 4.06 | 0.85 | 0.64 | 96 | 0.95 | 0.15 | 0.00 | |||
| ○Loop 58 - haloExchange.c:633-642 - exec | 0.03 | 0.03 | 0.01 | 60 | 0.03 | 0.00 | 0.00 | |||
| ►advancePosition.extracted | exec | 2.55 | 0.53 | 0.4 | 96 | 0.61 | 0.10 | Exe (%): 100.00 | 7.15 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 97 - timestep.c:85-94 - exec | 0.03 | 0.02 | 0.01 | 86 | 0.04 | 0.01 | 38.50 | |||
| ○Loop 99 - timestep.c:88-94 - exec | 2.4 | 0.53 | 0.38 | 96 | 0.60 | 0.09 | 6.00 | |||
| ○Loop 98 - timestep.c:88-94 - exec | 0.11 | 0.06 | 0.02 | 95 | 0.07 | 0.01 | 9.60 | |||
| ○Loop 100 - timestep.c:88-94 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_ | libiomp5.so | 1.75 | 1.58 | 0.28 | 43 | 3.28 | 0.52 | OMP (%): 100.00 | 0.00 | |
| ►__intel_avx_rep_memset | exec | 0.56 | 0.19 | 0.09 | 96 | 0.31 | 0.05 | Memory (%): 100.00 | 0.00 | |
| ○Loop 131 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.51 | 1.44 | 0.08 | 28 | 2.93 | 0.46 | OMP (%): 100.00 | 0.00 | |
| ○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv | libiomp5.so | 0.5 | 0.15 | 0.08 | 96 | 0.14 | 0.02 | OMP (%): 100.00 | 0.00 | |
| ►updateLinkCells | exec | 0.29 | 2.21 | 0.05 | 2 | 0.11 | 0.02 | Exe (%): 100.00 | 48.48 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 81 - linkCells.c:209-371 - exec [...] | 0 | 0.04 | 0 | 2 | 0.11 | 0.02 | 0.00 | |||
| ○Loop 82 - linkCells.c:209-371 - exec [...] | 0.29 | 2.2 | 0.05 | 2 | 0.22 | 0.04 | 47.00 | |||
| ►kineticEnergy.extracted | exec | 0.23 | 0.06 | 0.04 | 96 | 0.08 | 0.01 | Exe (%): 100.00 | 8.84 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 103 - timestep.c:107-116 - exec | 0 | 0 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 105 - timestep.c:110-116 - exec | 0.21 | 0.06 | 0.03 | 96 | 0.08 | 0.01 | 9.70 | |||
| ○Loop 104 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 38 | 0.02 | 0.00 | 0.00 | |||
| ○msort_with_tmp.part.0 | libc.so.6 | 0.22 | 0.07 | 0.04 | 96 | 0.09 | 0.01 | Others (%): 100.00 | 0.00 | |
| ○__memcpy_avx512_unaligned_erms | libc.so.6 | 0.15 | 0.06 | 0.02 | 94 | 0.08 | 0.01 | Memory (%): 100.00 | 0.00 | |
| ○unknown_kernel_region | kernel | 0.15 | 0.14 | 0.02 | 93 | 0.13 | 0.02 | System (%): 92.03 MPI (%): 6.90 OMP (%): 1.08 | 0.80 | |
| ○__GI___qsort_r | libc.so.6 | 0.12 | 0.06 | 0.02 | 91 | 0.08 | 0.01 | Others (%): 100.00 | 0.00 | |
| ○sortAtomsById | exec | 0.09 | 0.04 | 0.01 | 90 | 0.05 | 0.01 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○putAtomInBox | exec | 0.06 | 0.49 | 0.01 | 2 | 0.04 | 0.01 | Exe (%): 100.00 | 18.80 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►loadAtomsBuffer | exec | 0.04 | 0.32 | 0.01 | 2 | 0.05 | 0.01 | Exe (%): 100.00 | 16.20 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 44 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
| ○Loop 45 - haloExchange.c:380-389 - exec | 0.04 | 0.31 | 0.01 | 2 | 0.02 | 0.00 | 15.40 | |||
| ○impi_pause | libmpi.so.12.0.0 | 0.03 | 0.44 | 0 | 2 | 1.86 | 0.29 | MPI (%): 100.00 | 0.00 | |
| ○__GI___sched_yield | libc.so.6 | 0.03 | 0.03 | 0 | 47 | 0.03 | 0.00 | System (%): 100.00 | 0.00 | |
| ►randomDisplacements.extracted | exec | 0.02 | 0.01 | 0 | 70 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 73 - initAtoms.c:194-202 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 74 - initAtoms.c:197-202 - exec | 0.02 | 0.01 | 0 | 69 | 0.01 | 0.00 | 0.00 | |||
| ○.plt.sec@start | libc.so.6 | 0.02 | 0.02 | 0 | 35 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
| ►setVcm.extracted | exec | 0.02 | 0.01 | 0 | 75 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ►Loop 62 - initAtoms.c:123-133 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 64 - initAtoms.c:126-133 - exec | 0.02 | 0.01 | 0 | 68 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 63 - initAtoms.c:126-133 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
| ○__kmp_yield | libiomp5.so | 0.02 | 0.02 | 0 | 42 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○__GI___libc_free | libc.so.6 | 0.02 | 0.03 | 0 | 34 | 0.03 | 0.00 | Memory (%): 100.00 | 0.00 | |
| ►gasdev | exec | 0.01 | 0.01 | 0 | 95 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○Loop 91 - random.c:27-48 - exec [...] | 0 | 0.01 | 0 | 72 | 0.01 | 0.00 | 0.00 | |||
| ○__GI_qsort | libc.so.6 | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
| ○impi_reduce_local_11way | libmpi.so.12.0.0 | 0.01 | 0.05 | 0 | 2 | 0.09 | 0.01 | MPI (%): 100.00 | 0.00 | |
| ○I_MPI_memcpy_multipage_avx512 | libmpi.so.12.0.0 | 0.01 | 0.07 | 0 | 2 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ○mkSeed | exec | 0.01 | 0.01 | 0 | 88 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○getBoxFromTuple | exec | 0.01 | 0.04 | 0 | 2 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | 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 --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/in... |
| ○I_MPI_memcpy_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.05 | 0 | 2 | 0.05 | 0.01 | MPI (%): 100.00 | 0.00 |