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 |
---|---|---|---|---|---|---|---|---|---|---|
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 44.88 | 12.92 | 9.46 | 112 | 9.71 | 2.03 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 40.81 | 12.46 | 8.6 | 112 | 8.83 | 1.88 | Exe (%): 100.00 | 243.50 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 86 - ljForce.c:172-222 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 87 - ljForce.c:178-216 - exec [...] | 0.14 | 0.07 | 0.03 | 112 | 0.06 | 0.01 | 460.38 | |||
►Loop 88 - ljForce.c:187-216 - exec [...] | 0.34 | 0.12 | 0.07 | 112 | 0.09 | 0.02 | 435.34 | |||
○Loop 89 - ljForce.c:191-216 - exec [...] | 40.32 | 12.41 | 8.5 | 112 | 8.83 | 1.88 | 241.07 | |||
►ljForce.extracted.25 | exec | 3.64 | 1.01 | 0.77 | 112 | 0.81 | 0.17 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 91 - ljForce.c:158-162 - exec [...] | 3.64 | 1.01 | 0.77 | 112 | 0.81 | 0.17 | 0.00 | |||
○Loop 90 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 3.43 | 1.02 | 0.72 | 112 | 1.10 | 0.23 | Exe (%): 100.00 | 6.69 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 94 - timestep.c:72-80 - exec | 0.04 | 0.03 | 0.01 | 109 | 0.04 | 0.01 | 40.25 | |||
○Loop 96 - timestep.c:74-78 - exec | 2.98 | 0.98 | 0.63 | 112 | 1.01 | 0.21 | 5.55 | |||
○Loop 95 - timestep.c:74-78 - exec | 0.41 | 0.17 | 0.09 | 112 | 0.19 | 0.04 | 10.14 | |||
○Loop 97 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.94 | 0.85 | 0.62 | 112 | 0.81 | 0.17 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 58 - haloExchange.c:621-629 - exec | 2.89 | 0.85 | 0.61 | 112 | 0.80 | 0.17 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.02 | 0.02 | 0 | 63 | 0.02 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 1.96 | 0.57 | 0.41 | 112 | 0.56 | 0.12 | Exe (%): 100.00 | 6.77 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 98 - timestep.c:86-96 - exec | 0.02 | 0.03 | 0 | 104 | 0.03 | 0.01 | 0.00 | |||
○Loop 100 - timestep.c:88-94 - exec | 1.7 | 0.53 | 0.36 | 112 | 0.51 | 0.11 | 5.32 | |||
○Loop 99 - timestep.c:88-94 - exec | 0.23 | 0.09 | 0.05 | 112 | 0.10 | 0.02 | 10.29 | |||
○Loop 101 - 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 | 0.6 | 0.22 | 0.13 | 112 | 0.18 | 0.04 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.41 | 0.2 | 0.09 | 112 | 0.21 | 0.04 | Memory (%): 100.00 | 0.00 | |
○Loop 134 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.3 | 0.15 | 0.06 | 112 | 0.14 | 0.03 | Others (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.24 | 2.81 | 0.05 | 2 | 0.17 | 0.02 | Exe (%): 100.00 | 48.49 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 82 - linkCells.c:209-371 - exec [...] | 0 | 0.04 | 0 | 2 | 0.07 | 0.01 | 0.00 | |||
○Loop 83 - linkCells.c:209-371 - exec [...] | 0.24 | 2.77 | 0.05 | 2 | 0.10 | 0.01 | 46.86 | |||
►kineticEnergy.extracted | exec | 0.18 | 0.06 | 0.04 | 112 | 0.06 | 0.01 | Exe (%): 100.00 | 9.58 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 104 - timestep.c:108-118 - exec | 0 | 0.01 | 0 | 41 | 0.01 | 0.00 | 0.00 | |||
○Loop 106 - timestep.c:110-116 - exec | 0.17 | 0.06 | 0.04 | 112 | 0.06 | 0.01 | 7.28 | |||
○Loop 105 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 43 | 0.02 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.17 | 0.32 | 0.04 | 112 | 0.19 | 0.04 | System (%): 92.19 MPI (%): 7.44 OMP (%): 0.37 | 0.68 | |
○putAtomInBox | exec | 0.05 | 0.6 | 0.01 | 2 | 0.24 | 0.05 | Exe (%): 100.00 | 21.05 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○sortAtomsById | exec | 0.05 | 0.04 | 0.01 | 93 | 0.04 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.02 | 0.01 | 89 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.04 | 1.01 | 0.01 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__kmp_yield | libiomp5.so | 0.03 | 0.02 | 0.01 | 78 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.4 | 0.01 | 2 | 0.15 | 0.03 | Exe (%): 100.00 | 14.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 45 - haloExchange.c:376-389 - exec | 0 | 0.02 | 0 | 2 | 0.09 | 0.02 | 0.00 | |||
○Loop 46 - haloExchange.c:380-389 - exec | 0.03 | 0.38 | 0.01 | 2 | 0.06 | 0.01 | 13.05 | |||
►setVcm.extracted | exec | 0.02 | 0.01 | 0 | 75 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 63 - initAtoms.c:124-135 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 65 - initAtoms.c:126-133 - exec | 0.01 | 0.01 | 0 | 70 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.02 | 0.44 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.53 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.02 | 0.44 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
►setTemperature.extracted | exec | 0.01 | 0.01 | 0 | 25 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 69 - initAtoms.c:175-183 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 70 - initAtoms.c:177-181 - exec | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 71 - initAtoms.c:177-181 - exec | 0 | 0.01 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
►redistributeAtoms.extracted | exec | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 103 - timestep.c:153-154 - exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 102 - timestep.c:153-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.01 | 0.14 | 0 | 2 | 0.45 | 0.09 | Others (%): 100.00 | 0.00 | |
○MPIDI_Progress_test | libmpi.so.12.0.0 | 0.01 | 0.21 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.01 | 0.01 | 0 | 64 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 74 - initAtoms.c:195-204 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 75 - initAtoms.c:197-202 - exec | 0.01 | 0.01 | 0 | 64 | 0.01 | 0.00 | 0.00 | |||
○.plt.sec@start | libc-2.28.so | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○getBoxFromTuple | exec | 0.01 | 0.08 | 0 | 2 | 0.17 | 0.04 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►computeVcm.extracted | exec | 0.01 | 0.01 | 0 | 51 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 66 - initAtoms.c:219-230 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 68 - initAtoms.c:221-228 - exec | 0.01 | 0.01 | 0 | 49 | 0.00 | 0.00 | 0.00 | |||
○Loop 67 - initAtoms.c:221-228 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 |