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 | 43.83 | 15.57 | 11.31 | 110 | 8.38 | 2.14 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 41.41 | 16.66 | 10.68 | 112 | 7.37 | 1.92 | Exe (%): 100.00 | 191.80 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 92 - ljForce.c:172-216 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 93 - ljForce.c:178-216 - exec [...] | 0.15 | 0.09 | 0.04 | 112 | 0.06 | 0.02 | 317.90 | |||
►Loop 94 - ljForce.c:187-216 - exec [...] | 0.33 | 0.15 | 0.08 | 112 | 0.08 | 0.02 | 365.47 | |||
○Loop 95 - ljForce.c:191-216 - exec [...] | 40.92 | 16.56 | 10.56 | 112 | 7.36 | 1.92 | 189.94 | |||
►ljForce.extracted.25 | exec | 2.99 | 1.01 | 0.77 | 112 | 0.67 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 91 - ljForce.c:157-158 - exec [...] | 2.99 | 1.01 | 0.77 | 112 | 0.67 | 0.17 | 0.00 | |||
○Loop 90 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_INTERNAL021345c1::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 2.93 | 7.5 | 0.75 | 42 | 7.56 | 1.92 | OMP (%): 100.00 | 0.00 | |
►advanceVelocity.extracted | exec | 2.43 | 0.92 | 0.63 | 112 | 0.79 | 0.20 | Exe (%): 100.00 | 7.34 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 102 - timestep.c:71-78 - exec | 0.03 | 0.04 | 0.01 | 110 | 0.03 | 0.01 | 48.80 | |||
○Loop 104 - timestep.c:74-78 - exec | 2.13 | 0.87 | 0.55 | 112 | 0.73 | 0.19 | 5.83 | |||
○Loop 103 - timestep.c:74-78 - exec | 0.27 | 0.14 | 0.07 | 112 | 0.11 | 0.03 | 13.29 | |||
○Loop 105 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.39 | 0.87 | 0.62 | 112 | 0.67 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 59 - haloExchange.c:621-629 - exec | 2.34 | 0.83 | 0.6 | 112 | 0.66 | 0.17 | 0.00 | |||
○Loop 60 - haloExchange.c:633-642 - exec | 0.03 | 0.03 | 0.01 | 76 | 0.02 | 0.01 | 0.00 | |||
►advancePosition.extracted | exec | 1.43 | 0.5 | 0.37 | 112 | 0.42 | 0.11 | Exe (%): 100.00 | 8.15 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 106 - timestep.c:85-94 - exec | 0.02 | 0.02 | 0 | 101 | 0.02 | 0.01 | 0.00 | |||
○Loop 108 - timestep.c:88-94 - exec | 1.35 | 0.49 | 0.35 | 112 | 0.40 | 0.10 | 6.96 | |||
○Loop 107 - timestep.c:88-94 - exec | 0.07 | 0.04 | 0.02 | 111 | 0.04 | 0.01 | 15.00 | |||
○Loop 109 - 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 | 0.65 | 0.27 | 0.17 | 112 | 0.18 | 0.05 | OMP (%): 100.00 | 0.00 | |
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.37 | 1.53 | 0.1 | 29 | 1.84 | 0.47 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.32 | 0.17 | 0.08 | 112 | 0.15 | 0.04 | Memory (%): 100.00 | 0.00 | |
○Loop 141 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.3 | 0.2 | 0.08 | 112 | 0.11 | 0.03 | Others (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.22 | 3.22 | 0.06 | 2 | 0.03 | 0.01 | Exe (%): 100.00 | 40.42 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 86 - linkCells.c:209-371 - exec [...] | 0 | 0.04 | 0 | 2 | 0.04 | 0.01 | 0.00 | |||
○Loop 87 - linkCells.c:209-371 - exec [...] | 0.22 | 3.18 | 0.06 | 2 | 0.01 | 0.00 | 39.17 | |||
○unknown_kernel_region | kernel | 0.16 | 0.44 | 0.04 | 112 | 0.22 | 0.06 | System (%): 90.79 MPI (%): 8.32 OMP (%): 0.89 | 0.69 | |
►kineticEnergy.extracted | exec | 0.12 | 0.06 | 0.03 | 112 | 0.05 | 0.01 | Exe (%): 100.00 | 11.75 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 99 - timestep.c:107-116 - exec | 0 | 0 | 0 | 47 | 0.01 | 0.00 | 0.00 | |||
○Loop 101 - timestep.c:110-116 - exec | 0.11 | 0.05 | 0.03 | 112 | 0.05 | 0.01 | 8.45 | |||
○Loop 100 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 45 | 0.01 | 0.00 | 0.00 | |||
○sortAtomsById | exec | 0.05 | 0.04 | 0.01 | 103 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○putAtomInBox | exec | 0.05 | 0.69 | 0.01 | 2 | 0.11 | 0.03 | Exe (%): 100.00 | 21.80 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/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 | 0.05 | 1.37 | 0.01 | 2 | 3.84 | 0.96 | MPI (%): 100.00 | 0.00 | |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.04 | 0.01 | 97 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.03 | 0.86 | 0.01 | 2 | 2.41 | 0.60 | MPI (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.41 | 0.01 | 2 | 0.01 | 0.00 | Exe (%): 100.00 | 15.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 46 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 47 - haloExchange.c:380-389 - exec | 0.03 | 0.4 | 0.01 | 2 | 0.01 | 0.00 | 14.40 | |||
○__kmp_yield | libiomp5.so | 0.03 | 0.03 | 0.01 | 79 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.02 | 0 | 0 | 111 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 78 - initAtoms.c:194-202 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 79 - initAtoms.c:197-202 - exec [...] | 0.02 | 0 | 0 | 110 | 0.01 | 0.00 | 0.00 | |||
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.02 | 0.44 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | |
►setTemperature.extracted.30 | exec | 0.02 | 0 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 70 - initAtoms.c:151-162 - exec [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►Loop 74 - initAtoms.c:154-162 - exec [...] | 0.01 | 0 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 71 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 35 | 0.01 | 0.00 | 0.00 | |||
○Loop 73 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 65 | 0.00 | 0.00 | 0.00 | |||
○Loop 72 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
○MPID_Progress_wait | libmpi.so.12.0.0 | 0.01 | 0.26 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►redistributeAtoms.extracted | exec | 0.01 | 0.01 | 0 | 36 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
○Loop 111 - timestep.c:152-154 - exec | 0.01 | 0.01 | 0 | 34 | 0.01 | 0.00 | 0.00 | |||
○Loop 110 - timestep.c:152-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○MPIDI_OFI_progress | libmpi.so.12.0.0 | 0.01 | 0.17 | 0 | 2 | 0.47 | 0.12 | MPI (%): 100.00 | 0.00 | |
►setVcm.extracted | exec | 0.01 | 0 | 0 | 60 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 67 - initAtoms.c:123-133 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 69 - initAtoms.c:126-133 - exec | 0.01 | 0 | 0 | 56 | 0.00 | 0.00 | 0.00 | |||
○Loop 68 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○mlx_ep_progress | libmlx-fi.so | 0.01 | 0.14 | 0 | 2 | 0.40 | 0.10 | Others (%): 100.00 | 0.00 | |
►computeVcm.extracted | exec | 0.01 | 0 | 0 | 35 | 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/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mpi/2021.8.0/include -O3 -fargument-noalias -qopt-repo... |
►Loop 64 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 65 - initAtoms.c:221-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 66 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 34 | 0.01 | 0.00 | 0.00 | |||
○.plt.sec@start | libc-2.28.so | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○I_MPI_memcpy_nontemporal_multipage_avx2 | libmpi.so.12.0.0 | 0.01 | 0.08 | 0 | 2 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○ofi_cq_readfrom | libmlx-fi.so | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 |