Name | Module | Coverage orig_0 (%) | Coverage Excluding Loops orig_0 (%) | Max Inclusive Time Over Threads orig_0 (s) | Max Exclusive Time Over Threads orig_0 (s) | Inclusive Time w.r.t. Wall Time orig_0 (s) | Exclusive Time w.r.t. Wall Time orig_0 (s) | Nb Threads orig_0 | Deviation (coverage) orig_0 | Deviation (walltime) orig_0 | Categories orig_0 | GFLOPS orig_0 | Compilation Options |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 50.56 | 50.56 | 2.74 | 2.74 | 2.45 | 2.45 | 252 | 7.67 | 0.37 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 44.53 | 0.00 | 2.52 | 0.01 | 2.16 | 0.00 | 252 | 4.76 | 0.23 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 84 - ljForce.c:172-222 - exec [...] | 44.53 | 0.01 | 2.58 | 0.01 | 2.16 | 0.00 | 24 | 0.02 | 0.00 | 0.00 | |||
►Loop 85 - ljForce.c:178-216 - exec [...] | 44.52 | 0.21 | 2.57 | 0.03 | 2.15 | 0.01 | 212 | 0.14 | 0.01 | 0.00 | |||
►Loop 86 - ljForce.c:187-216 - exec [...] | 44.30 | 0.60 | 2.54 | 0.07 | 2.14 | 0.03 | 251 | 0.26 | 0.01 | 0.00 | |||
○Loop 87 - ljForce.c:191-216 - exec [...] | 43.70 | 43.70 | 2.46 | 2.46 | 2.12 | 2.12 | 252 | 4.69 | 0.23 | 0.00 | |||
►advancePosition.extracted | exec | 0.71 | 0.00 | 0.08 | 0.00 | 0.03 | 0.00 | 252 | 0.27 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 94 - timestep.c:86-96 - exec | 0.71 | 0.04 | 0.09 | 0.02 | 0.03 | 0.00 | 79 | 0.05 | 0.00 | 0.00 | |||
○Loop 95 - timestep.c:88-94 - exec | 0.68 | 0.68 | 0.08 | 0.08 | 0.03 | 0.03 | 251 | 0.26 | 0.01 | 0.00 | |||
►advanceVelocity.extracted | exec | 0.70 | 0.00 | 0.08 | 0.01 | 0.03 | 0.00 | 251 | 0.26 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 92 - timestep.c:72-80 - exec | 0.70 | 0.01 | 0.09 | 0.01 | 0.03 | 0.00 | 24 | 0.02 | 0.00 | 0.00 | |||
○Loop 93 - timestep.c:74-78 - exec | 0.69 | 0.69 | 0.08 | 0.08 | 0.03 | 0.03 | 251 | 0.26 | 0.01 | 0.00 | |||
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.69 | 0.69 | 0.08 | 0.08 | 0.03 | 0.03 | 250 | 0.30 | 0.01 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.27 | exec | 0.61 | 0.00 | 0.07 | 0.00 | 0.03 | 0.00 | 252 | 0.26 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○Loop 89 - ljForce.c:158-162 - exec [...] | 0.61 | 0.61 | 0.07 | 0.07 | 0.03 | 0.03 | 252 | 0.26 | 0.01 | 0.00 | |||
○Loop 88 - ljForce.c:158-162 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 0.46 | 0.01 | 0.06 | 0.01 | 0.02 | 0.00 | 251 | 0.21 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○Loop 58 - haloExchange.c:621-629 - exec | 0.41 | 0.41 | 0.06 | 0.06 | 0.02 | 0.02 | 248 | 0.21 | 0.01 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.04 | 0.04 | 0.01 | 0.01 | 0.00 | 0.00 | 77 | 0.04 | 0.00 | 0.00 | |||
►updateLinkCells | exec | 0.44 | 0.00 | 0.93 | 0.00 | 0.02 | 0.00 | 6 | 0.57 | 0.03 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 80 - linkCells.c:209-371 - exec [...] | 0.44 | 0.00 | 0.93 | 0.01 | 0.02 | 0.00 | 5 | 0.06 | 0.00 | 0.00 | |||
○Loop 81 - linkCells.c:209-371 - exec [...] | 0.43 | 0.43 | 0.92 | 0.92 | 0.02 | 0.02 | 6 | 0.58 | 0.03 | 0.00 | |||
○putAtomInBox | exec | 0.17 | 0.00 | 0.43 | 0.00 | 0.01 | 0.00 | 6 | 1.29 | 0.06 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○msort_with_tmp.part.0 | libc.so.6 | 0.17 | 0.17 | 0.04 | 0.04 | 0.01 | 0.01 | 205 | 0.11 | 0.01 | Others (%): 100.00 | 0.00 | |
○unknown_kernel_region | kernel | 0.16 | 0.00 | 0.12 | 0.00 | 0.01 | 0.00 | 176 | 0.32 | 0.01 | System (%): 84.55 MPI (%): 14.69 OMP (%): 0.76 | 0.00 | |
○__memcpy_avx512_unaligned_erms | libc.so.6 | 0.09 | 0.09 | 0.02 | 0.02 | 0.00 | 0.00 | 151 | 0.07 | 0.00 | Memory (%): 100.00 | 0.00 | |
○sortAtomsById | exec | 0.08 | 0.08 | 0.02 | 0.02 | 0.00 | 0.00 | 126 | 0.07 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○__GI___qsort_r | libc.so.6 | 0.07 | 0.07 | 0.02 | 0.02 | 0.00 | 0.00 | 126 | 0.06 | 0.00 | Others (%): 100.00 | 0.00 | |
○ADIOI_GEN_SetLockDirect64 | libmpi.so.12.0.0 | 0.06 | 0.06 | 0.14 | 0.14 | 0.00 | 0.00 | 6 | 0.21 | 0.01 | MPI (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.06 | 0.00 | 0.14 | 0.01 | 0.00 | 0.00 | 6 | 0.39 | 0.02 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 45 - haloExchange.c:376-389 - exec | 0.06 | 0.00 | 0.15 | 0.02 | 0.00 | 0.00 | 4 | 0.09 | 0.00 | 0.00 | |||
○Loop 46 - haloExchange.c:380-389 - exec | 0.06 | 0.06 | 0.13 | 0.13 | 0.00 | 0.00 | 6 | 0.30 | 0.01 | 0.00 | |||
►gasdev | exec | 0.05 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 130 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○Loop 90 - random.c:26-48 - exec [...] | 0.03 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 69 | 0.00 | 0.00 | 0.00 | |||
○__kmp_yield | libiomp5.so | 0.04 | 0.04 | 0.02 | 0.02 | 0.00 | 0.00 | 79 | 0.06 | 0.00 | OMP (%): 100.00 | 0.00 | |
○mkSeed | exec | 0.03 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 75 | 0.03 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○__GI___sched_yield | libc.so.6 | 0.03 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 58 | 0.03 | 0.00 | System (%): 100.00 | 0.00 | |
○__libm_log_z0 | exec | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 55 | 0.00 | 0.00 | Math (%): 100.00 | 0.00 | |
○I_MPI_memcpy_nontemporal_multipage_sse | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.07 | 0.07 | 0.00 | 0.00 | 6 | 0.41 | 0.02 | MPI (%): 100.00 | 0.00 | |
►kineticEnergy.extracted | exec | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 45 | 0.03 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
►Loop 98 - timestep.c:108-118 - exec | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 100 - timestep.c:110-116 - exec | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 39 | 0.02 | 0.00 | 0.00 | |||
○Loop 99 - timestep.c:110-116 - exec | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | 0.00 | |||
○inflate_fast | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.05 | 0.05 | 0.00 | 0.00 | 6 | 0.09 | 0.00 | MPI (%): 100.00 | 0.00 | |
►unloadAtomsBuffer | exec | 0.02 | 0.00 | 0.05 | 0.00 | 0.00 | 0.00 | 6 | 0.26 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○Loop 47 - haloExchange.c:414-424 - exec | 0.02 | 0.02 | 0.05 | 0.05 | 0.00 | 0.00 | 6 | 0.26 | 0.01 | 0.00 | |||
○I_MPI_memcpy_multipage_sse | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.06 | 0.06 | 0.00 | 0.00 | 6 | 0.31 | 0.01 | MPI (%): 100.00 | 0.00 | |
○lcg61 | exec | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 39 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○getBoxFromTuple | exec | 0.01 | 0.01 | 0.04 | 0.04 | 0.00 | 0.00 | 6 | 0.16 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.0.0 (2025.0.0.20241008) /cluster/intel/oneapi/2025.0.0/compiler/2025.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_GNR/173-814-1858/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_ru... |
○MPID_CH4_SHM_bcast_intra_heap_init_cnt | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.07 | 0.07 | 0.00 | 0.00 | 5 | 0.53 | 0.02 | MPI (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.04 | 0.04 | 0.00 | 0.00 | 5 | 0.23 | 0.01 | MPI (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.01 | 0.01 | 0.03 | 0.02 | 0.00 | 0.00 | 6 | 0.13 | 0.01 | Memory (%): 100.00 | 0.00 | |
○Loop 124 - - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | 0.00 |