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 | 43.95 | 13.4 | 9.2 | 112 | 10.94 | 2.27 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 42.5 | 12.27 | 8.9 | 112 | 9.83 | 2.07 | Exe (%): 100.00 | 235.29 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 94 - ljForce.c:172-222 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 95 - ljForce.c:178-216 - exec [...] | 0.15 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 463.33 | |||
►Loop 96 - ljForce.c:187-216 - exec [...] | 0.33 | 0.12 | 0.07 | 112 | 0.09 | 0.02 | 425.81 | |||
○Loop 97 - ljForce.c:191-216 - exec [...] | 42.01 | 12.2 | 8.8 | 112 | 9.82 | 2.06 | 232.92 | |||
►advanceVelocity.extracted | exec | 3.57 | 1.03 | 0.75 | 112 | 1.08 | 0.22 | Exe (%): 100.00 | 6.43 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 104 - timestep.c:71-80 - exec | 0.05 | 0.04 | 0.01 | 109 | 0.05 | 0.01 | 42.30 | |||
○Loop 106 - timestep.c:74-78 - exec | 3.09 | 0.96 | 0.65 | 112 | 0.97 | 0.20 | 5.26 | |||
○Loop 105 - timestep.c:74-78 - exec | 0.43 | 0.19 | 0.09 | 112 | 0.20 | 0.04 | 10.83 | |||
○Loop 107 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 3.26 | 0.93 | 0.68 | 112 | 0.86 | 0.18 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
○Loop 61 - haloExchange.c:621-629 - exec | 3.2 | 0.93 | 0.67 | 112 | 0.84 | 0.17 | 0.00 | |||
○Loop 62 - haloExchange.c:633-642 - exec | 0.02 | 0.02 | 0 | 69 | 0.02 | 0.00 | 0.00 | |||
►ljForce.extracted.25 | exec | 2.43 | 0.7 | 0.51 | 112 | 0.51 | 0.11 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
○Loop 93 - ljForce.c:158-162 - exec [...] | 2.43 | 0.7 | 0.51 | 112 | 0.51 | 0.11 | 0.00 | |||
○Loop 92 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 2.04 | 0.58 | 0.43 | 112 | 0.56 | 0.12 | Exe (%): 100.00 | 6.47 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 108 - timestep.c:85-96 - exec | 0.03 | 0.03 | 0.01 | 106 | 0.03 | 0.01 | 30.70 | |||
○Loop 110 - timestep.c:88-94 - exec | 1.76 | 0.52 | 0.37 | 112 | 0.50 | 0.10 | 5.22 | |||
○Loop 109 - timestep.c:88-94 - exec | 0.25 | 0.12 | 0.05 | 112 | 0.12 | 0.03 | 10.90 | |||
○Loop 111 - 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 | 0.58 | 0.24 | 0.12 | 112 | 0.18 | 0.04 | OMP (%): 100.00 | 0.00 | |
○unknown_function | Unknown module | 0.36 | 0.17 | 0.08 | 112 | 0.17 | 0.04 | Others (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.3 | 0.13 | 0.06 | 112 | 0.13 | 0.03 | Memory (%): 100.00 | 0.00 | |
○Loop 146 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►updateLinkCells | exec | 0.22 | 2.58 | 0.05 | 2 | 0.03 | 0.01 | Exe (%): 100.00 | 48.49 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 88 - linkCells.c:209-371 - exec [...] | 0 | 0.02 | 0 | 2 | 0.07 | 0.01 | 0.00 | |||
○Loop 89 - linkCells.c:209-371 - exec [...] | 0.22 | 2.58 | 0.05 | 2 | 0.04 | 0.02 | 46.83 | |||
►kineticEnergy.extracted | exec | 0.18 | 0.06 | 0.04 | 112 | 0.06 | 0.01 | Exe (%): 100.00 | 9.64 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 101 - timestep.c:107-118 - exec | 0 | 0.01 | 0 | 46 | 0.01 | 0.00 | 0.00 | |||
○Loop 103 - timestep.c:110-116 - exec | 0.17 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 9.78 | |||
○Loop 102 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 46 | 0.01 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.16 | 0.32 | 0.03 | 111 | 0.20 | 0.04 | System (%): 91.56 MPI (%): 7.77 OMP (%): 0.67 | 0.97 | |
○putAtomInBox | exec | 0.07 | 0.87 | 0.02 | 2 | 0.17 | 0.04 | Exe (%): 100.00 | 11.75 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
○sortAtomsById | exec | 0.06 | 0.04 | 0.01 | 99 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.04 | 0.93 | 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 | 89 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○__kmp_yield | libiomp5.so | 0.03 | 0.02 | 0.01 | 75 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.38 | 0.01 | 2 | 0.19 | 0.04 | Exe (%): 100.00 | 11.45 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 48 - haloExchange.c:376-389 - exec | 0 | 0.02 | 0 | 2 | 0.03 | 0.01 | 0.00 | |||
○Loop 49 - haloExchange.c:380-389 - exec | 0.03 | 0.37 | 0.01 | 2 | 0.22 | 0.04 | 11.20 | |||
►randomDisplacements.extracted | exec | 0.02 | 0.01 | 0 | 108 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 80 - initAtoms.c:195-204 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 81 - initAtoms.c:197-202 - exec [...] | 0.02 | 0.01 | 0 | 108 | 0.01 | 0.00 | 0.00 | |||
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.02 | 0.42 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.39 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○MPIDI_Progress_test | libmpi.so.12.0.0 | 0.01 | 0.19 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►setTemperature.extracted.30 | exec | 0.01 | 0 | 0 | 112 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 72 - initAtoms.c:152-164 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 76 - initAtoms.c:154-162 - exec [...] | 0 | 0 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 74 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 75 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 35 | 0.00 | 0.00 | 0.00 | |||
○Loop 73 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.01 | 0.29 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
►setVcm.extracted | exec | 0.01 | 0.01 | 0 | 57 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /... |
►Loop 69 - initAtoms.c:123-135 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 71 - initAtoms.c:126-133 - exec | 0.01 | 0.01 | 0 | 55 | 0.00 | 0.00 | 0.00 | |||
○Loop 70 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○I_MPI_memcpy_stream_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.08 | 0 | 2 | 0.12 | 0.02 | MPI (%): 100.00 | 0.00 | |
○I_MPI_memcpy_multipage_avx512 | libmpi.so.12.0.0 | 0.01 | 0.07 | 0 | 2 | 0.07 | 0.01 | MPI (%): 100.00 | 0.00 | |
○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 36 | 0.02 | 0.00 | System (%): 100.00 | 0.00 |