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 | 47.81 | 11.53 | 8.86 | 112 | 8.50 | 1.57 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted | exec | 36.98 | 9.96 | 6.85 | 112 | 6.45 | 1.20 | Exe (%): 100.00 | 305.71 | 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/171-416-7289/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 | 0.02 | 0.00 | 0.00 | |||
►Loop 87 - ljForce.c:178-216 - exec [...] | 0.18 | 0.07 | 0.03 | 112 | 0.08 | 0.01 | 528.05 | |||
►Loop 88 - ljForce.c:187-216 - exec [...] | 0.36 | 0.1 | 0.07 | 112 | 0.10 | 0.02 | 478.66 | |||
○Loop 89 - ljForce.c:191-216 - exec [...] | 36.43 | 9.84 | 6.75 | 112 | 6.44 | 1.20 | 302.82 | |||
►advanceVelocity.extracted | exec | 3.95 | 1.03 | 0.73 | 112 | 1.21 | 0.22 | Exe (%): 100.00 | 6.59 | 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/171-416-7289/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 | 110 | 0.04 | 0.01 | 46.80 | |||
○Loop 96 - timestep.c:74-78 - exec | 3.41 | 0.97 | 0.63 | 112 | 1.12 | 0.20 | 5.41 | |||
○Loop 95 - timestep.c:74-78 - exec | 0.49 | 0.17 | 0.09 | 112 | 0.20 | 0.04 | 10.41 | |||
○Loop 97 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 3.79 | 0.93 | 0.7 | 112 | 0.99 | 0.18 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 58 - haloExchange.c:621-629 - exec | 3.74 | 0.92 | 0.69 | 112 | 0.97 | 0.18 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.02 | 0.02 | 0 | 62 | 0.02 | 0.00 | 0.00 | |||
►ljForce.extracted.25 | exec | 2.74 | 0.69 | 0.51 | 112 | 0.57 | 0.10 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 91 - ljForce.c:158-162 - exec [...] | 2.74 | 0.69 | 0.51 | 112 | 0.57 | 0.10 | 0.00 | |||
○Loop 90 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advancePosition.extracted | exec | 2.25 | 0.57 | 0.42 | 112 | 0.63 | 0.11 | Exe (%): 100.00 | 6.60 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 98 - timestep.c:86-96 - exec | 0.03 | 0.02 | 0.01 | 103 | 0.04 | 0.01 | 31.05 | |||
○Loop 100 - timestep.c:88-94 - exec | 1.95 | 0.52 | 0.36 | 112 | 0.57 | 0.10 | 5.33 | |||
○Loop 99 - timestep.c:88-94 - exec | 0.28 | 0.13 | 0.05 | 112 | 0.14 | 0.02 | 10.83 | |||
○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 | 0.64 | 0.2 | 0.12 | 112 | 0.18 | 0.03 | OMP (%): 100.00 | 0.00 | |
○unknown_function | Unknown module | 0.39 | 0.17 | 0.07 | 112 | 0.18 | 0.03 | Others (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.3 | 0.12 | 0.06 | 112 | 0.13 | 0.02 | Memory (%): 100.00 | 0.00 | |
○Loop 134 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►updateLinkCells | exec | 0.25 | 2.55 | 0.05 | 2 | 0.17 | 0.01 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 82 - linkCells.c:209-371 - exec [...] | 0 | 0.03 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
○Loop 83 - linkCells.c:209-371 - exec [...] | 0.24 | 2.53 | 0.05 | 2 | 0.19 | 0.01 | 46.89 | |||
►kineticEnergy.extracted | exec | 0.19 | 0.06 | 0.03 | 112 | 0.07 | 0.01 | Exe (%): 100.00 | 12.77 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 104 - timestep.c:108-118 - exec | 0 | 0 | 0 | 43 | 0.01 | 0.00 | 0.00 | |||
○Loop 106 - timestep.c:110-116 - exec | 0.18 | 0.06 | 0.03 | 112 | 0.07 | 0.01 | 10.37 | |||
○Loop 105 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 37 | 0.02 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.18 | 0.32 | 0.03 | 111 | 0.23 | 0.04 | System (%): 92.18 MPI (%): 7.43 OMP (%): 0.40 | 1.07 | |
○putAtomInBox | exec | 0.08 | 0.88 | 0.02 | 2 | 0.12 | 0.03 | Exe (%): 100.00 | 11.00 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○sortAtomsById | exec | 0.07 | 0.04 | 0.01 | 102 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.05 | 1.1 | 0.01 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__GI___sched_yield | libc-2.28.so | 0.04 | 0.02 | 0.01 | 88 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
○__kmp_yield | libiomp5.so | 0.03 | 0.02 | 0.01 | 80 | 0.03 | 0.01 | OMP (%): 100.00 | 0.00 | |
►loadAtomsBuffer | exec | 0.03 | 0.34 | 0.01 | 2 | 0.05 | 0.01 | Exe (%): 100.00 | 14.35 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 45 - haloExchange.c:376-389 - exec | 0 | 0.01 | 0 | 2 | 0.02 | 0.00 | 0.00 | |||
○Loop 46 - haloExchange.c:380-389 - exec | 0.03 | 0.33 | 0.01 | 2 | 0.07 | 0.01 | 13.35 | |||
►setVcm.extracted | exec | 0.02 | 0.01 | 0 | 87 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 63 - initAtoms.c:124-135 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 65 - initAtoms.c:126-133 - exec | 0.02 | 0.01 | 0 | 85 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.37 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.02 | 0.36 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.02 | 0.39 | 0 | 1 | 0.00 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○uct_rc_mlx5_iface_progress_cyclic | libuct_ib.so.0.0.0 | 0.01 | 0.13 | 0 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | |
►gasdev | exec | 0.01 | 0 | 0 | 111 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 92 - random.c:27-48 - exec [...] | 0 | 0 | 0 | 82 | 0.01 | 0.00 | 0.00 | |||
►setTemperature.extracted | exec | 0.01 | 0 | 0 | 54 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 69 - initAtoms.c:175-183 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 71 - initAtoms.c:177-181 - exec | 0.01 | 0 | 0 | 40 | 0.00 | 0.00 | 0.00 | |||
○Loop 70 - initAtoms.c:177-181 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○MPIDI_Progress_test | libmpi.so.12.0.0 | 0.01 | 0.18 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○getBoxFromTuple | exec | 0.01 | 0.07 | 0 | 2 | 0.12 | 0.02 | 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/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►randomDisplacements.extracted | exec | 0.01 | 0.01 | 0 | 46 | 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/171-416-7289/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 | 46 | 0.01 | 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 | |
○MPIDI_OFI_progress | libmpi.so.12.0.0 | 0.01 | 0.12 | 0 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
○.plt.sec@start | libc-2.28.so | 0.01 | 0.01 | 0 | 32 | 0.02 | 0.00 | System (%): 100.00 | 0.00 |