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 | 46.67 | 13.36 | 9.71 | 112 | 9.38 | 1.94 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 38.84 | 12.28 | 8.08 | 112 | 7.89 | 1.65 | Exe (%): 100.00 | 259.17 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/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 | 0.07 | 0.03 | 112 | 0.06 | 0.01 | 474.46 | |||
►Loop 96 - ljForce.c:187-216 - exec [...] | 0.33 | 0.14 | 0.07 | 112 | 0.09 | 0.02 | 449.50 | |||
○Loop 97 - ljForce.c:191-216 - exec [...] | 38.35 | 12.16 | 7.98 | 112 | 7.87 | 1.65 | 256.60 | |||
►ljForce.extracted.25 | exec | 3.71 | 1 | 0.77 | 112 | 0.81 | 0.16 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
○Loop 93 - ljForce.c:158-162 - exec [...] | 3.7 | 1 | 0.77 | 112 | 0.80 | 0.16 | 0.00 | |||
○Loop 92 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 3.47 | 1.01 | 0.72 | 112 | 1.08 | 0.22 | Exe (%): 100.00 | 6.69 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 104 - timestep.c:71-80 - exec | 0.06 | 0.07 | 0.01 | 110 | 0.06 | 0.01 | 38.55 | |||
○Loop 106 - timestep.c:74-78 - exec | 3.02 | 0.96 | 0.63 | 112 | 0.97 | 0.20 | 5.49 | |||
○Loop 105 - timestep.c:74-78 - exec | 0.39 | 0.16 | 0.08 | 112 | 0.18 | 0.04 | 12.16 | |||
○Loop 107 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.97 | 0.81 | 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) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
○Loop 61 - haloExchange.c:621-629 - exec | 2.92 | 0.8 | 0.61 | 112 | 0.80 | 0.16 | 0.00 | |||
○Loop 62 - haloExchange.c:633-642 - exec | 0.02 | 0.03 | 0 | 67 | 0.03 | 0.01 | 0.00 | |||
►advancePosition.extracted | exec | 1.96 | 0.57 | 0.41 | 112 | 0.56 | 0.12 | Exe (%): 100.00 | 6.78 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 108 - timestep.c:85-96 - exec | 0.03 | 0.03 | 0.01 | 105 | 0.03 | 0.01 | 28.65 | |||
○Loop 110 - timestep.c:88-94 - exec | 1.72 | 0.54 | 0.36 | 112 | 0.52 | 0.11 | 5.44 | |||
○Loop 109 - timestep.c:88-94 - exec | 0.22 | 0.11 | 0.04 | 112 | 0.10 | 0.02 | 13.43 | |||
○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 | 0.65 | 0.22 | 0.14 | 112 | 0.18 | 0.04 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.39 | 0.18 | 0.08 | 112 | 0.21 | 0.04 | Memory (%): 100.00 | 0.00 | |
○Loop 146 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.3 | 0.14 | 0.06 | 112 | 0.13 | 0.03 | Others (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.24 | 2.84 | 0.05 | 2 | 0.00 | 0.02 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 88 - linkCells.c:209-371 - exec [...] | 0 | 0.07 | 0 | 2 | 0.18 | 0.04 | 0.00 | |||
○Loop 89 - linkCells.c:209-371 - exec [...] | 0.24 | 2.82 | 0.05 | 2 | 0.18 | 0.05 | 47.04 | |||
►kineticEnergy.extracted | exec | 0.17 | 0.06 | 0.04 | 112 | 0.07 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 101 - timestep.c:107-118 - exec | 0 | 0.01 | 0 | 49 | 0.01 | 0.00 | 0.00 | |||
○Loop 103 - timestep.c:110-116 - exec | 0.16 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 9.77 | |||
○Loop 102 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 42 | 0.02 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.17 | 0.32 | 0.03 | 112 | 0.18 | 0.04 | System (%): 91.82 MPI (%): 7.27 OMP (%): 0.91 | 1.08 | |
○putAtomInBox | exec | 0.05 | 0.56 | 0.01 | 2 | 0.00 | 0.00 | Exe (%): 100.00 | 22.70 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
○sortAtomsById | exec | 0.05 | 0.04 | 0.01 | 93 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.04 | 1.04 | 0.01 | 2 | 3.65 | 0.73 | MPI (%): 100.00 | 0.00 | |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.04 | 0.01 | 90 | 0.03 | 0.01 | System (%): 100.00 | 0.00 | |
○__kmp_yield | libiomp5.so | 0.03 | 0.02 | 0.01 | 87 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.37 | 0.01 | 2 | 0.02 | 0.01 | Exe (%): 100.00 | 10.90 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 48 - haloExchange.c:376-389 - exec | 0 | 0.03 | 0 | 2 | 0.05 | 0.01 | 0.00 | |||
○Loop 49 - haloExchange.c:380-389 - exec | 0.03 | 0.35 | 0.01 | 2 | 0.03 | 0.00 | 10.30 | |||
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.52 | 0 | 2 | 1.84 | 0.37 | MPI (%): 100.00 | 0.00 | |
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.02 | 0.43 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.02 | 0.38 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
►setVcm.extracted | exec | 0.02 | 0.01 | 0 | 91 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 69 - initAtoms.c:123-135 - exec | 0 | 0.01 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 71 - initAtoms.c:126-133 - exec | 0.02 | 0.01 | 0 | 84 | 0.00 | 0.00 | 0.00 | |||
○Loop 70 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
►setTemperature.extracted | exec | 0.01 | 0.01 | 0 | 48 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 77 - initAtoms.c:174-183 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 79 - initAtoms.c:177-181 - exec | 0.01 | 0.01 | 0 | 42 | 0.00 | 0.00 | 0.00 | |||
○Loop 78 - initAtoms.c:177-181 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○MPIDI_Progress_test | libmpi.so.12.0.0 | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.01 | 0.01 | 0 | 87 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
►Loop 80 - initAtoms.c:195-204 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 81 - initAtoms.c:197-202 - exec [...] | 0.01 | 0.01 | 0 | 87 | 0.01 | 0.00 | 0.00 | |||
►redistributeAtoms.extracted | exec | 0.01 | 0.01 | 0 | 23 | 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/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /... |
○Loop 113 - timestep.c:153-154 - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 112 - timestep.c:153-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○I_MPI_memcpy_stream_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.07 | 0 | 2 | 0.09 | 0.02 | MPI (%): 100.00 | 0.00 | |
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.01 | 0.16 | 0 | 1 | 0.00 | 0.00 | Others (%): 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 |