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 | 44.48 | 12.23 | 9.22 | 112 | 8.09 | 1.69 | Exe (%): 100.00 | 225.04 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 89 - ljForce.c:173-222 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 90 - ljForce.c:178-216 - exec [...] | 0.11 | 0.06 | 0.02 | 112 | 0.05 | 0.01 | 440.16 | |||
►Loop 91 - ljForce.c:187-216 - exec [...] | 0.39 | 0.14 | 0.08 | 112 | 0.10 | 0.02 | 414.24 | |||
○Loop 92 - ljForce.c:191-216 - exec [...] | 43.96 | 12.12 | 9.12 | 112 | 8.07 | 1.69 | 222.82 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 40.94 | 12.29 | 8.49 | 112 | 8.66 | 1.78 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.25 | exec | 3.83 | 1.06 | 0.79 | 112 | 0.89 | 0.18 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○Loop 88 - ljForce.c:158-162 - exec [...] | 3.83 | 1.06 | 0.79 | 112 | 0.89 | 0.18 | 0.00 | |||
○Loop 87 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 3.55 | 1.03 | 0.74 | 112 | 1.09 | 0.22 | Exe (%): 100.00 | 6.28 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 96 - timestep.c:71-80 - exec | 0.04 | 0.04 | 0.01 | 110 | 0.04 | 0.01 | 44.20 | |||
○Loop 98 - timestep.c:74-78 - exec | 3.1 | 0.96 | 0.64 | 112 | 1.03 | 0.21 | 5.11 | |||
○Loop 97 - timestep.c:74-78 - exec | 0.4 | 0.17 | 0.08 | 112 | 0.17 | 0.03 | 11.57 | |||
○Loop 99 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.96 | 0.83 | 0.61 | 112 | 0.80 | 0.16 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○Loop 58 - haloExchange.c:621-629 - exec | 2.91 | 0.83 | 0.6 | 112 | 0.78 | 0.16 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.03 | 0.02 | 0.01 | 72 | 0.02 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 2.01 | 0.57 | 0.42 | 112 | 0.56 | 0.11 | Exe (%): 100.00 | 7.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 100 - timestep.c:85-96 - exec | 0.03 | 0.03 | 0.01 | 102 | 0.04 | 0.01 | 25.60 | |||
○Loop 102 - timestep.c:88-94 - exec | 1.88 | 0.55 | 0.39 | 112 | 0.54 | 0.11 | 6.42 | |||
○Loop 101 - timestep.c:88-94 - exec | 0.11 | 0.05 | 0.02 | 111 | 0.06 | 0.01 | 13.30 | |||
○Loop 103 - timestep.c:88-94 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.54 | 0.21 | 0.11 | 112 | 0.17 | 0.03 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.46 | 0.21 | 0.1 | 112 | 0.22 | 0.05 | Memory (%): 100.00 | 0.00 | |
○Loop 147 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.32 | 0.14 | 0.07 | 112 | 0.14 | 0.03 | Others (%): 99.93 OMP (%): 0.07 | 0.00 | |
►updateLinkCells | exec | 0.19 | 2.18 | 0.04 | 2 | 0.31 | 0.05 | Exe (%): 100.00 | 36.88 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 83 - linkCells.c:291-378 - exec [...] | 0 | 0.04 | 0 | 2 | 0.04 | 0.01 | 0.00 | |||
○Loop 84 - linkCells.c:295-378 - exec [...] | 0.18 | 2.14 | 0.04 | 2 | 0.27 | 0.04 | 35.99 | |||
►kineticEnergy.extracted | exec | 0.17 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | Exe (%): 100.00 | 11.72 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 106 - timestep.c:107-118 - exec | 0 | 0.01 | 0 | 47 | 0.01 | 0.00 | 0.00 | |||
○Loop 108 - timestep.c:110-116 - exec | 0.15 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 8.87 | |||
○Loop 107 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 53 | 0.01 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.16 | 0.31 | 0.03 | 112 | 0.18 | 0.04 | System (%): 92.94 MPI (%): 6.38 OMP (%): 0.68 | 1.02 | |
○sortAtomsById | exec | 0.06 | 0.04 | 0.01 | 103 | 0.04 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○getBoxFromTuple | exec | 0.05 | 0.58 | 0.01 | 2 | 0.16 | 0.04 | Exe (%): 100.00 | 99.95 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►loadAtomsBuffer | exec | 0.04 | 0.47 | 0.01 | 2 | 0.21 | 0.04 | Exe (%): 100.00 | 15.15 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 47 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.04 | 0.01 | 0.00 | |||
○Loop 48 - haloExchange.c:380-389 - exec | 0.04 | 0.46 | 0.01 | 2 | 0.17 | 0.03 | 14.55 | |||
○putAtomInBox | exec | 0.04 | 0.51 | 0.01 | 2 | 0.09 | 0.02 | Exe (%): 100.00 | 26.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○__GI___sched_yield | libc-2.28.so | 0.03 | 0.02 | 0.01 | 77 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○__kmp_yield | libiomp5.so | 0.02 | 0.02 | 0 | 72 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.02 | 0.01 | 0 | 109 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 78 - initAtoms.c:195-204 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 79 - initAtoms.c:197-202 - exec [...] | 0.02 | 0.01 | 0 | 109 | 0.01 | 0.00 | 0.00 | |||
►unloadAtomsBuffer | exec | 0.01 | 0.09 | 0 | 2 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○Loop 49 - haloExchange.c:414-424 - exec | 0.01 | 0.09 | 0 | 2 | 0.03 | 0.01 | 0.00 | |||
►redistributeAtoms.extracted | exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
○Loop 105 - timestep.c:153-154 - exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 104 - timestep.c:153-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►setVcm.extracted | exec | 0.01 | 0.01 | 0 | 50 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 67 - initAtoms.c:123-135 - exec | 0 | 0 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
○Loop 69 - initAtoms.c:126-133 - exec | 0.01 | 0.01 | 0 | 45 | 0.01 | 0.00 | 0.00 | |||
○Loop 68 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.01 | 0.14 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○I_MPI_memcpy_stream_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.07 | 0 | 2 | 0.07 | 0.01 | MPI (%): 100.00 | 0.00 | |
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.01 | 0.15 | 0 | 2 | 0.53 | 0.11 | Pthread (%): 100.00 | 0.00 | |
○.plt.sec@start | libc-2.28.so | 0.01 | 0.01 | 0 | 36 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
►setTemperature.extracted | exec | 0.01 | 0 | 0 | 37 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I ... |
►Loop 75 - initAtoms.c:174-183 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 77 - initAtoms.c:177-181 - exec | 0.01 | 0 | 0 | 34 | 0.00 | 0.00 | 0.00 | |||
○Loop 76 - initAtoms.c:177-181 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.01 | 0.32 | 0 | 2 | 1.10 | 0.22 | MPI (%): 100.00 | 0.00 |