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 | 45.94 | 16.74 | 11.85 | 112 | 8.70 | 2.27 | Exe (%): 100.00 | 173.77 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 89 - ljForce.c:173-222 - exec [...] | 0.01 | 0.01 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 90 - ljForce.c:178-216 - exec [...] | 0.11 | 0.06 | 0.03 | 112 | 0.05 | 0.01 | 299.34 | |||
►Loop 91 - ljForce.c:187-216 - exec [...] | 0.4 | 0.15 | 0.1 | 112 | 0.08 | 0.02 | 337.44 | |||
○Loop 92 - ljForce.c:191-216 - exec [...] | 45.41 | 16.59 | 11.71 | 112 | 8.69 | 2.26 | 172.14 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 42.84 | 15.84 | 11.05 | 112 | 9.09 | 2.32 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.25 | exec | 3.03 | 1.02 | 0.78 | 112 | 0.69 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
○Loop 88 - ljForce.c:158-162 - exec [...] | 3.03 | 1.02 | 0.78 | 112 | 0.69 | 0.17 | 0.00 | |||
○Loop 87 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 2.45 | 0.9 | 0.63 | 112 | 0.73 | 0.19 | Exe (%): 100.00 | 7.35 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 96 - timestep.c:71-80 - exec | 0.03 | 0.03 | 0.01 | 111 | 0.03 | 0.01 | 44.75 | |||
○Loop 98 - timestep.c:74-78 - exec | 2.15 | 0.84 | 0.55 | 112 | 0.68 | 0.17 | 5.83 | |||
○Loop 97 - timestep.c:74-78 - exec | 0.27 | 0.18 | 0.07 | 112 | 0.12 | 0.03 | 13.92 | |||
○Loop 99 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 2.24 | 0.75 | 0.58 | 112 | 0.59 | 0.15 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
○Loop 58 - haloExchange.c:621-629 - exec | 2.19 | 0.75 | 0.56 | 112 | 0.58 | 0.15 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.02 | 0.02 | 0.01 | 73 | 0.02 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 1.39 | 0.5 | 0.36 | 112 | 0.40 | 0.10 | Exe (%): 100.00 | 8.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 100 - timestep.c:85-96 - exec | 0.02 | 0.03 | 0.01 | 101 | 0.02 | 0.01 | 28.25 | |||
○Loop 102 - timestep.c:88-94 - exec | 1.3 | 0.47 | 0.34 | 112 | 0.39 | 0.10 | 7.32 | |||
○Loop 101 - timestep.c:88-94 - exec | 0.07 | 0.05 | 0.02 | 111 | 0.04 | 0.01 | 12.58 | |||
○Loop 103 - 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 | 0.59 | 0.24 | 0.15 | 112 | 0.15 | 0.04 | OMP (%): 100.00 | 0.00 | |
○unknown_function | Unknown module | 0.31 | 0.16 | 0.08 | 112 | 0.12 | 0.03 | Others (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.31 | 0.17 | 0.08 | 112 | 0.14 | 0.04 | Memory (%): 100.00 | 0.00 | |
○Loop 147 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►updateLinkCells | exec | 0.17 | 2.44 | 0.04 | 2 | 0.26 | 0.07 | Exe (%): 100.00 | 35.99 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 83 - linkCells.c:291-378 - exec [...] | 0 | 0.05 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
○Loop 84 - linkCells.c:295-378 - exec [...] | 0.16 | 2.39 | 0.04 | 2 | 0.25 | 0.07 | 35.08 | |||
○unknown_kernel_region | kernel | 0.17 | 0.51 | 0.04 | 112 | 0.26 | 0.06 | MPI (%): 9.78 System (%): 89.82 OMP (%): 0.41 | 0.76 | |
►kineticEnergy.extracted | exec | 0.12 | 0.05 | 0.03 | 112 | 0.04 | 0.01 | Exe (%): 100.00 | 11.88 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 106 - timestep.c:107-118 - exec | 0 | 0 | 0 | 33 | 0.01 | 0.00 | 0.00 | |||
○Loop 108 - timestep.c:110-116 - exec | 0.11 | 0.05 | 0.03 | 111 | 0.04 | 0.01 | 9.43 | |||
○Loop 107 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 51 | 0.02 | 0.00 | 0.00 | |||
○getBoxFromTuple | exec | 0.06 | 0.84 | 0.01 | 2 | 0.20 | 0.05 | Exe (%): 100.00 | 104.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
○sortAtomsById | exec | 0.05 | 0.04 | 0.01 | 102 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
○putAtomInBox | exec | 0.04 | 0.69 | 0.01 | 2 | 0.43 | 0.11 | Exe (%): 100.00 | 25.05 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
○__kmp_yield | libiomp5.so | 0.03 | 0.03 | 0.01 | 83 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.37 | 0.01 | 2 | 0.04 | 0.01 | Exe (%): 100.00 | 13.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 47 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 48 - haloExchange.c:380-389 - exec | 0.02 | 0.36 | 0.01 | 2 | 0.04 | 0.01 | 12.95 | |||
○__GI___sched_yield | libc-2.28.so | 0.03 | 0.02 | 0.01 | 94 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.03 | 0.87 | 0.01 | 2 | 2.43 | 0.60 | MPI (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.02 | 0 | 0 | 112 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 78 - initAtoms.c:195-204 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 79 - initAtoms.c:197-202 - exec [...] | 0.02 | 0 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
►setTemperature.extracted.30 | exec | 0.02 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/intel/CoMD/build/icx_15 -I ... |
►Loop 70 - initAtoms.c:152-164 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 74 - initAtoms.c:154-162 - exec [...] | 0.01 | 0 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 71 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 73 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 58 | 0.00 | 0.00 | 0.00 | |||
○Loop 72 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.01 | 0.32 | 0 | 2 | 0.89 | 0.22 | Pthread (%): 100.00 | 0.00 | |
○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.01 | 0.26 | 0 | 2 | 0.72 | 0.18 | Pthread (%): 100.00 | 0.00 | |
○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 37 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.01 | 0.41 | 0 | 2 | 1.14 | 0.28 | MPI (%): 100.00 | 0.00 |