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 |
---|---|---|---|---|---|---|---|---|---|---|
○bool _INTERNAL021345c1::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 45.71 | 14.22 | 10.7 | 110 | 7.70 | 1.79 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 38.91 | 14.21 | 9.11 | 112 | 6.21 | 1.46 | Exe (%): 100.00 | 223.12 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 89 - ljForce.c:172-216 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.02 | 0.00 | 0.00 | |||
►Loop 90 - ljForce.c:178-216 - exec [...] | 0.16 | 0.06 | 0.04 | 112 | 0.05 | 0.01 | 317.81 | |||
►Loop 91 - ljForce.c:187-216 - exec [...] | 0.36 | 0.14 | 0.08 | 112 | 0.08 | 0.02 | 384.64 | |||
○Loop 92 - ljForce.c:191-216 - exec [...] | 38.38 | 14.05 | 8.99 | 112 | 6.19 | 1.45 | 221.18 | |||
►advanceVelocity.extracted | exec | 3.23 | 1.04 | 0.76 | 112 | 0.97 | 0.22 | Exe (%): 100.00 | 6.02 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 98 - timestep.c:71-78 - exec | 0.1 | 0.07 | 0.02 | 112 | 0.06 | 0.01 | 12.23 | |||
○Loop 99 - timestep.c:74-78 - exec | 3.13 | 1.01 | 0.73 | 112 | 0.94 | 0.22 | 5.94 | |||
►sortAtomsInCell | exec | 2.93 | 0.92 | 0.69 | 112 | 0.74 | 0.17 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 58 - haloExchange.c:621-629 - exec | 2.85 | 0.89 | 0.67 | 112 | 0.72 | 0.17 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.04 | 0.03 | 0.01 | 90 | 0.02 | 0.01 | 0.00 | |||
○_INTERNAL021345c1::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 2.51 | 5.37 | 0.59 | 39 | 6.11 | 1.41 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.25 | exec | 2.1 | 0.69 | 0.49 | 112 | 0.45 | 0.10 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 88 - ljForce.c:157-158 - exec [...] | 2.09 | 0.69 | 0.49 | 112 | 0.45 | 0.10 | 0.00 | |||
○Loop 87 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 1.82 | 0.56 | 0.43 | 112 | 0.47 | 0.11 | Exe (%): 100.00 | 7.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 100 - timestep.c:85-94 - exec | 0.17 | 0.1 | 0.04 | 112 | 0.09 | 0.02 | 31.20 | |||
○Loop 101 - timestep.c:88-94 - exec | 1.65 | 0.52 | 0.39 | 112 | 0.43 | 0.10 | 5.23 | |||
○Loop 102 - 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 | 0.68 | 0.25 | 0.16 | 112 | 0.17 | 0.04 | OMP (%): 100.00 | 0.00 | |
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.42 | 1.45 | 0.1 | 29 | 1.97 | 0.46 | OMP (%): 100.00 | 0.00 | |
○unknown_function | Unknown module | 0.37 | 0.21 | 0.09 | 112 | 0.16 | 0.04 | Others (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.28 | 0.16 | 0.07 | 112 | 0.14 | 0.03 | Memory (%): 100.00 | 0.00 | |
○Loop 134 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►updateLinkCells | exec | 0.23 | 2.99 | 0.05 | 2 | 0.23 | 0.03 | Exe (%): 100.00 | 48.48 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 83 - linkCells.c:209-371 - exec [...] | 0 | 0.04 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
○Loop 84 - linkCells.c:209-371 - exec [...] | 0.22 | 2.95 | 0.05 | 2 | 0.22 | 0.03 | 46.90 | |||
○unknown_kernel_region | kernel | 0.16 | 0.42 | 0.04 | 111 | 0.22 | 0.05 | System (%): 92.34 MPI (%): 7.43 OMP (%): 0.24 | 0.81 | |
►kineticEnergy.extracted | exec | 0.12 | 0.06 | 0.03 | 112 | 0.05 | 0.01 | Exe (%): 100.00 | 16.15 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 96 - timestep.c:107-116 - exec | 0.02 | 0.01 | 0 | 91 | 0.02 | 0.00 | 0.00 | |||
○Loop 97 - timestep.c:110-116 - exec | 0.1 | 0.05 | 0.02 | 112 | 0.04 | 0.01 | 13.88 | |||
○putAtomInBox | exec | 0.07 | 0.89 | 0.02 | 2 | 0.00 | 0.01 | Exe (%): 100.00 | 10.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○sortAtomsById | exec | 0.07 | 0.04 | 0.02 | 107 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○MPL_gpu_ze_query_pointer_attr | libmpi.so.12.0.0 | 0.06 | 1.66 | 0.01 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.03 | 0.01 | 94 | 0.03 | 0.01 | System (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.04 | 0.97 | 0.01 | 2 | 3.02 | 0.68 | MPI (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.4 | 0.01 | 2 | 0.02 | 0.01 | Exe (%): 100.00 | 14.60 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 45 - haloExchange.c:376-389 - exec | 0 | 0.03 | 0 | 2 | 0.06 | 0.01 | 0.00 | |||
○Loop 46 - haloExchange.c:380-389 - exec | 0.03 | 0.39 | 0.01 | 2 | 0.08 | 0.02 | 13.75 | |||
○__kmp_yield | libiomp5.so | 0.03 | 0.03 | 0.01 | 89 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►redistributeAtoms.extracted | exec | 0.02 | 0.02 | 0 | 53 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 104 - timestep.c:152-154 - exec | 0.02 | 0.02 | 0 | 51 | 0.02 | 0.00 | 0.00 | |||
○Loop 103 - timestep.c:152-154 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.02 | 0.43 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | |
►setTemperature.extracted.30 | exec | 0.02 | 0.01 | 0 | 112 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 68 - initAtoms.c:151-162 - exec [...] | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►Loop 72 - initAtoms.c:154-162 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 69 - random.c:27-48 - exec [...] | 0.01 | 0 | 0 | 39 | 0.01 | 0.00 | 0.00 | |||
○Loop 71 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 54 | 0.01 | 0.00 | 0.00 | |||
○Loop 70 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 18 | 0.01 | 0.00 | 0.00 | |||
○ofi_cq_readfrom | libmlx-fi.so | 0.01 | 0.18 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.01 | 0 | 0 | 97 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 75 - initAtoms.c:194-202 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 76 - initAtoms.c:197-202 - exec [...] | 0.01 | 0 | 0 | 97 | 0.01 | 0.00 | 0.00 | |||
○MPIDI_OFI_progress | libmpi.so.12.0.0 | 0.01 | 0.16 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○getBoxFromTuple | exec | 0.01 | 0.13 | 0 | 2 | 0.22 | 0.05 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○MPID_Progress_wait | libmpi.so.12.0.0 | 0.01 | 0.34 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○ucp_worker_progress | libucp.so.0.0.0 | 0.01 | 0.21 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | |
►computeVcm.extracted | exec | 0.01 | 0 | 0 | 28 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 63 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - initAtoms.c:221-228 - exec | 0 | 0 | 0 | 25 | 0.00 | 0.00 | 0.00 | |||
○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 39 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
○mlx_ep_progress | libmlx-fi.so | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 |