| 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 | 42.8 | 17.1 | 11.25 | 112 | 7.37 | 1.96 | Exe (%): 100.00 | 183.38 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 85 - ljForce.c:172-216 - exec [...] | 0.01 | 0.02 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 86 - ljForce.c:178-216 - exec [...] | 0.17 | 0.09 | 0.04 | 112 | 0.06 | 0.02 | 348.50 | |||
| ►Loop 87 - ljForce.c:187-216 - exec [...] | 0.38 | 0.17 | 0.1 | 112 | 0.08 | 0.02 | 291.11 | |||
| ○Loop 88 - ljForce.c:191-216 - exec [...] | 42.24 | 16.93 | 11.11 | 112 | 7.37 | 1.95 | 181.75 | |||
| ○bool _INTERNAL021345c1::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 42.69 | 15.34 | 11.22 | 110 | 8.16 | 2.12 | OMP (%): 100.00 | 0.00 | |
| ○_INTERNAL021345c1::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 3.27 | 8.44 | 0.86 | 42 | 7.15 | 1.85 | OMP (%): 100.00 | 0.00 | |
| ►advanceVelocity.extracted | exec | 2.72 | 0.97 | 0.72 | 112 | 0.81 | 0.21 | Exe (%): 100.00 | 7.05 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 93 - timestep.c:71-78 - exec | 0.03 | 0.05 | 0.01 | 110 | 0.04 | 0.01 | 46.45 | |||
| ○Loop 95 - timestep.c:74-78 - exec | 2.36 | 0.93 | 0.62 | 112 | 0.73 | 0.19 | 5.84 | |||
| ○Loop 94 - timestep.c:74-78 - exec | 0.32 | 0.24 | 0.09 | 112 | 0.15 | 0.04 | 10.99 | |||
| ○Loop 96 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►sortAtomsInCell | exec | 2.64 | 0.9 | 0.69 | 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) /opt/intel/oneapi/compiler/2024.0/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ○Loop 57 - haloExchange.c:621-629 - exec | 2.6 | 0.89 | 0.68 | 112 | 0.66 | 0.17 | 0.00 | |||
| ○Loop 58 - haloExchange.c:633-642 - exec | 0.02 | 0.05 | 0.01 | 67 | 0.03 | 0.01 | 0.00 | |||
| ►ljForce.extracted.27 | exec | 1.85 | 0.67 | 0.49 | 112 | 0.38 | 0.10 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ○Loop 90 - ljForce.c:157-158 - exec [...] | 1.85 | 0.67 | 0.49 | 112 | 0.38 | 0.10 | 0.00 | |||
| ○Loop 89 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►advancePosition.extracted | exec | 1.54 | 0.54 | 0.41 | 112 | 0.42 | 0.11 | Exe (%): 100.00 | 5.88 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 97 - timestep.c:85-94 - exec | 0.02 | 0.03 | 0.01 | 99 | 0.03 | 0.01 | 30.55 | |||
| ○Loop 99 - timestep.c:88-94 - exec | 1.46 | 0.52 | 0.38 | 112 | 0.40 | 0.10 | 5.07 | |||
| ○Loop 98 - timestep.c:88-94 - exec | 0.06 | 0.05 | 0.02 | 109 | 0.04 | 0.01 | 8.78 | |||
| ○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 | 0.28 | 0.16 | 112 | 0.16 | 0.04 | OMP (%): 100.00 | 0.00 | |
| ○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.36 | 1.44 | 0.1 | 31 | 1.71 | 0.45 | OMP (%): 100.00 | 0.00 | |
| ○unknown_function | Unknown module | 0.31 | 0.19 | 0.08 | 112 | 0.13 | 0.03 | Others (%): 100.00 | 0.00 | |
| ►__intel_avx_rep_memset | exec | 0.25 | 0.16 | 0.07 | 112 | 0.12 | 0.03 | Memory (%): 100.00 | 0.00 | |
| ○Loop 131 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►updateLinkCells | exec | 0.2 | 2.98 | 0.05 | 2 | 0.07 | 0.02 | Exe (%): 100.00 | 48.53 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 81 - linkCells.c:209-371 - exec [...] | 0 | 0.06 | 0 | 2 | 0.08 | 0.02 | 0.00 | |||
| ○Loop 82 - linkCells.c:209-371 - exec [...] | 0.2 | 2.92 | 0.05 | 2 | 0.01 | 0.00 | 47.42 | |||
| ○unknown_kernel_region | kernel | 0.16 | 0.48 | 0.04 | 111 | 0.23 | 0.06 | System (%): 90.57 MPI (%): 8.56 OMP (%): 0.87 | 1.11 | |
| ►kineticEnergy.extracted | exec | 0.12 | 0.05 | 0.03 | 112 | 0.04 | 0.01 | Exe (%): 100.00 | 12.97 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 103 - timestep.c:107-116 - exec | 0 | 0.01 | 0 | 42 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 105 - timestep.c:110-116 - exec | 0.11 | 0.05 | 0.03 | 112 | 0.04 | 0.01 | 10.30 | |||
| ○Loop 104 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 47 | 0.01 | 0.00 | 0.00 | |||
| ○putAtomInBox | exec | 0.06 | 0.96 | 0.02 | 2 | 0.32 | 0.08 | Exe (%): 100.00 | 11.15 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ○sortAtomsById | exec | 0.06 | 0.04 | 0.02 | 108 | 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/171-172-4338/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 | 1.39 | 0.01 | 2 | 3.82 | 0.97 | MPI (%): 100.00 | 0.00 | |
| ○__GI___sched_yield | libc-2.28.so | 0.04 | 0.03 | 0.01 | 93 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
| ○__kmp_yield | libiomp5.so | 0.03 | 0.03 | 0.01 | 87 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.03 | 0.91 | 0.01 | 2 | 2.52 | 0.64 | MPI (%): 100.00 | 0.00 | |
| ►loadAtomsBuffer | exec | 0.03 | 0.37 | 0.01 | 2 | 0.00 | 0.00 | Exe (%): 100.00 | 14.05 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 44 - haloExchange.c:376-389 - exec | 0 | 0.02 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 45 - haloExchange.c:380-389 - exec | 0.02 | 0.36 | 0.01 | 2 | 0.01 | 0.00 | 13.10 | |||
| ○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.02 | 0.47 | 0 | 2 | 1.26 | 0.32 | Others (%): 100.00 | 0.00 | |
| ○MPID_Progress_wait | libmpi.so.12.0.0 | 0.01 | 0.23 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ►computeVcm.extracted | exec | 0.01 | 0.01 | 0 | 65 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 65 - initAtoms.c:218-228 - exec | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 67 - initAtoms.c:221-228 - exec | 0.01 | 0.01 | 0 | 61 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 66 - initAtoms.c:221-228 - exec | 0 | 0.01 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
| ○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 52 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
| ►setTemperature.extracted | exec | 0.01 | 0.01 | 0 | 80 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ►Loop 68 - initAtoms.c:174-181 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 70 - initAtoms.c:177-181 - exec | 0.01 | 0.01 | 0 | 73 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 69 - initAtoms.c:177-181 - exec | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
| ○MPIDI_OFI_progress | libmpi.so.12.0.0 | 0.01 | 0.17 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ○Loop 91 - random.c:27-48 - exec [...] | 0 | 0.01 | 0 | 89 | 0.01 | 0.00 | 0.00 | |||
| ○mkSeed | exec | 0.01 | 0.01 | 0 | 104 | 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/171-172-4338/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /opt/intel/oneapi/mp... |
| ○__libm_log_z0 | exec | 0.01 | 0.01 | 0 | 77 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 |