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 | 43.39 | 17.06 | 11.41 | 112 | 8.42 | 2.23 | Exe (%): 100.00 | 180.89 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 85 - ljForce.c:172-216 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 86 - ljForce.c:178-216 - exec [...] | 0.16 | 0.1 | 0.04 | 112 | 0.05 | 0.01 | 345.31 | |||
►Loop 87 - ljForce.c:187-216 - exec [...] | 0.38 | 0.17 | 0.1 | 112 | 0.09 | 0.02 | 288.31 | |||
○Loop 88 - ljForce.c:191-216 - exec [...] | 42.84 | 16.89 | 11.27 | 112 | 8.39 | 2.22 | 179.29 | |||
○bool _INTERNAL021345c1::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 41.92 | 15.99 | 11.03 | 110 | 9.38 | 2.44 | OMP (%): 100.00 | 0.00 | |
○_INTERNAL021345c1::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 3.01 | 6.99 | 0.79 | 36 | 6.37 | 1.65 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.27 | exec | 2.89 | 1.01 | 0.76 | 112 | 0.66 | 0.17 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○Loop 90 - ljForce.c:157-158 - exec [...] | 2.89 | 1.01 | 0.76 | 112 | 0.66 | 0.17 | 0.00 | |||
○Loop 89 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 2.43 | 0.92 | 0.64 | 112 | 0.78 | 0.20 | Exe (%): 100.00 | 7.94 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 93 - timestep.c:71-78 - exec | 0.04 | 0.04 | 0.01 | 109 | 0.04 | 0.01 | 42.60 | |||
○Loop 95 - timestep.c:74-78 - exec | 2.11 | 0.87 | 0.55 | 112 | 0.71 | 0.18 | 6.78 | |||
○Loop 94 - timestep.c:74-78 - exec | 0.28 | 0.17 | 0.07 | 112 | 0.12 | 0.03 | 13.21 | |||
○Loop 96 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.36 | 0.86 | 0.62 | 112 | 0.66 | 0.17 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○Loop 57 - haloExchange.c:621-629 - exec | 2.3 | 0.84 | 0.61 | 112 | 0.64 | 0.17 | 0.00 | |||
○Loop 58 - haloExchange.c:633-642 - exec | 0.03 | 0.03 | 0.01 | 83 | 0.02 | 0.01 | 0.00 | |||
►advancePosition.extracted | exec | 1.42 | 0.5 | 0.37 | 112 | 0.41 | 0.11 | Exe (%): 100.00 | 6.51 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 97 - timestep.c:85-94 - exec | 0.03 | 0.03 | 0.01 | 103 | 0.03 | 0.01 | 31.80 | |||
○Loop 99 - timestep.c:88-94 - exec | 1.33 | 0.48 | 0.35 | 112 | 0.39 | 0.10 | 5.33 | |||
○Loop 98 - timestep.c:88-94 - exec | 0.07 | 0.06 | 0.02 | 112 | 0.04 | 0.01 | 11.28 | |||
○Loop 100 - 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 | 0.62 | 0.27 | 0.16 | 112 | 0.17 | 0.04 | OMP (%): 100.00 | 0.00 | |
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.35 | 1.52 | 0.09 | 31 | 1.76 | 0.46 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.35 | 0.25 | 0.09 | 112 | 0.18 | 0.05 | Memory (%): 100.00 | 0.00 | |
○Loop 131 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.31 | 0.17 | 0.08 | 112 | 0.12 | 0.03 | Others (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.22 | 3.2 | 0.06 | 2 | 0.13 | 0.04 | Exe (%): 100.00 | 40.43 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 81 - linkCells.c:209-371 - exec [...] | 0 | 0.04 | 0 | 2 | 0.03 | 0.01 | 0.00 | |||
○Loop 82 - linkCells.c:209-371 - exec [...] | 0.21 | 3.16 | 0.06 | 2 | 0.10 | 0.04 | 39.41 | |||
○unknown_kernel_region | kernel | 0.16 | 0.38 | 0.04 | 111 | 0.19 | 0.05 | System (%): 92.65 MPI (%): 6.41 OMP (%): 0.95 | 0.88 | |
►kineticEnergy.extracted | exec | 0.12 | 0.06 | 0.03 | 112 | 0.04 | 0.01 | Exe (%): 100.00 | 12.73 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 103 - timestep.c:107-116 - exec | 0 | 0 | 0 | 42 | 0.01 | 0.00 | 0.00 | |||
○Loop 105 - timestep.c:110-116 - exec | 0.12 | 0.06 | 0.03 | 112 | 0.04 | 0.01 | 9.85 | |||
○Loop 104 - timestep.c:110-116 - exec | 0.01 | 0.02 | 0 | 40 | 0.01 | 0.00 | 0.00 | |||
○sortAtomsById | exec | 0.06 | 0.04 | 0.01 | 104 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○MPL_gpu_ze_query_pointer_attr | libmpi.so.12.0.0 | 0.05 | 1.37 | 0.01 | 2 | 3.76 | 0.95 | MPI (%): 100.00 | 0.00 | |
○putAtomInBox | exec | 0.04 | 0.67 | 0.01 | 2 | 0.17 | 0.04 | Exe (%): 100.00 | 23.45 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.04 | 0.01 | 92 | 0.03 | 0.01 | System (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.03 | 0.88 | 0.01 | 2 | 2.45 | 0.62 | MPI (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.48 | 0.01 | 2 | 0.21 | 0.05 | Exe (%): 100.00 | 14.95 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 44 - haloExchange.c:376-389 - exec | 0 | 0.04 | 0 | 2 | 0.03 | 0.01 | 0.00 | |||
○Loop 45 - haloExchange.c:380-389 - exec | 0.03 | 0.46 | 0.01 | 2 | 0.24 | 0.06 | 14.05 | |||
○__kmp_yield | libiomp5.so | 0.02 | 0.03 | 0.01 | 73 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.01 | 0.01 | 0 | 83 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 73 - initAtoms.c:194-202 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 74 - initAtoms.c:197-202 - exec | 0.01 | 0.01 | 0 | 83 | 0.01 | 0.00 | 0.00 | |||
►computeVcm.extracted | exec | 0.01 | 0.01 | 0 | 30 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
►Loop 65 - initAtoms.c:218-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 67 - initAtoms.c:221-228 - exec | 0 | 0.01 | 0 | 29 | 0.00 | 0.00 | 0.00 | |||
○Loop 66 - initAtoms.c:221-228 - exec | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►redistributeAtoms.extracted | exec | 0.01 | 0.02 | 0 | 49 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○Loop 102 - timestep.c:152-154 - exec | 0.01 | 0.02 | 0 | 49 | 0.01 | 0.00 | 0.00 | |||
○Loop 101 - timestep.c:152-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkSeed | exec | 0.01 | 0.01 | 0 | 105 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.2 (2024.0.2.20231213) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○MPID_Progress_wait | libmpi.so.12.0.0 | 0.01 | 0.25 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○.plt.sec@start | libc-2.28.so | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | System (%): 100.00 | 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 | |
►gasdev | exec | 0.01 | 0.01 | 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) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-2581/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
○Loop 91 - random.c:27-48 - exec [...] | 0 | 0.01 | 0 | 88 | 0.01 | 0.00 | 0.00 | |||
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.01 | 0.36 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 |