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 | 50.96 | 12.52 | 10.82 | 112 | 5.02 | 1.08 | Exe (%): 100.00 | 193.43 | 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/171-419-7821/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 [...] | 0.13 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 414.06 | |||
►Loop 88 - ljForce.c:187-216 - exec [...] | 0.33 | 0.12 | 0.07 | 112 | 0.09 | 0.02 | 374.69 | |||
○Loop 89 - ljForce.c:191-216 - exec [...] | 50.49 | 12.41 | 10.72 | 112 | 5.00 | 1.07 | 191.56 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 34.67 | 9.96 | 7.36 | 112 | 6.19 | 1.31 | OMP (%): 100.00 | 0.00 | |
►ljForce.extracted.25 | exec | 3.87 | 1.07 | 0.82 | 112 | 0.87 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 91 - ljForce.c:158-162 - exec [...] | 3.87 | 1.07 | 0.82 | 112 | 0.87 | 0.18 | 0.00 | |||
○Loop 90 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►advanceVelocity.extracted | exec | 3.46 | 1.04 | 0.73 | 112 | 1.06 | 0.22 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 94 - timestep.c:72-80 - exec | 0.04 | 0.04 | 0.01 | 110 | 0.05 | 0.01 | 45.50 | |||
○Loop 96 - timestep.c:74-78 - exec | 3 | 1 | 0.64 | 112 | 0.98 | 0.20 | 5.41 | |||
○Loop 95 - timestep.c:74-78 - exec | 0.41 | 0.17 | 0.09 | 112 | 0.17 | 0.03 | 10.00 | |||
○Loop 97 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►sortAtomsInCell | exec | 3.01 | 0.88 | 0.64 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 58 - haloExchange.c:621-629 - exec | 2.95 | 0.85 | 0.63 | 112 | 0.79 | 0.17 | 0.00 | |||
○Loop 59 - haloExchange.c:633-642 - exec | 0.02 | 0.02 | 0.01 | 65 | 0.02 | 0.01 | 0.00 | |||
►advancePosition.extracted | exec | 1.98 | 0.58 | 0.42 | 112 | 0.56 | 0.12 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 98 - timestep.c:86-96 - exec | 0.03 | 0.04 | 0.01 | 100 | 0.04 | 0.01 | 32.10 | |||
○Loop 100 - timestep.c:88-94 - exec | 1.71 | 0.56 | 0.36 | 112 | 0.52 | 0.11 | 5.24 | |||
○Loop 99 - timestep.c:88-94 - exec | 0.24 | 0.11 | 0.05 | 112 | 0.12 | 0.02 | 11.31 | |||
○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 | 0.45 | 0.19 | 0.1 | 112 | 0.15 | 0.03 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 0.43 | 0.18 | 0.09 | 112 | 0.18 | 0.04 | Memory (%): 100.00 | 0.00 | |
○Loop 134 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.33 | 0.16 | 0.07 | 112 | 0.16 | 0.03 | Others (%): 100.00 | 0.00 | |
►updateLinkCells | exec | 0.24 | 2.81 | 0.05 | 2 | 0.31 | 0.04 | 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/171-419-7821/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 [...] | 0.23 | 2.78 | 0.05 | 2 | 0.29 | 0.04 | 46.99 | |||
►kineticEnergy.extracted | exec | 0.17 | 0.06 | 0.04 | 112 | 0.06 | 0.01 | Exe (%): 100.00 | 9.63 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 104 - timestep.c:108-118 - exec | 0 | 0 | 0 | 44 | 0.01 | 0.00 | 0.00 | |||
○Loop 106 - timestep.c:110-116 - exec | 0.16 | 0.06 | 0.03 | 112 | 0.06 | 0.01 | 9.90 | |||
○Loop 105 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 49 | 0.01 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.16 | 0.29 | 0.03 | 112 | 0.17 | 0.04 | System (%): 93.35 MPI (%): 6.51 OMP (%): 0.14 | 0.92 | |
○putAtomInBox | exec | 0.05 | 0.59 | 0.01 | 2 | 0.18 | 0.04 | Exe (%): 100.00 | 20.40 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○sortAtomsById | exec | 0.04 | 0.03 | 0.01 | 86 | 0.03 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►loadAtomsBuffer | exec | 0.03 | 0.41 | 0.01 | 2 | 0.05 | 0.01 | Exe (%): 100.00 | 14.40 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 45 - haloExchange.c:376-389 - exec | 0 | 0.04 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 46 - haloExchange.c:380-389 - exec | 0.03 | 0.37 | 0.01 | 2 | 0.05 | 0.01 | 13.40 | |||
○__GI___sched_yield | libc-2.28.so | 0.03 | 0.02 | 0.01 | 81 | 0.02 | 0.00 | System (%): 100.00 | 0.00 | |
►setVcm.extracted | exec | 0.02 | 0 | 0 | 72 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
►Loop 63 - initAtoms.c:124-135 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 65 - initAtoms.c:126-133 - exec | 0.01 | 0 | 0 | 67 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○__kmp_yield | libiomp5.so | 0.02 | 0.02 | 0 | 71 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
►randomDisplacements.extracted | exec | 0.01 | 0 | 0 | 57 | 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/171-419-7821/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 | 0 | 57 | 0.01 | 0.00 | 0.00 | |||
►redistributeAtoms.extracted | exec | 0.01 | 0.01 | 0 | 25 | 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/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
○Loop 103 - timestep.c:153-154 - exec | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 102 - timestep.c:153-154 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►setTemperature.extracted | exec | 0.01 | 0 | 0 | 37 | 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/171-419-7821/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 71 - initAtoms.c:177-181 - exec | 0.01 | 0 | 0 | 33 | 0.00 | 0.00 | 0.00 | |||
○Loop 70 - initAtoms.c:177-181 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 28 | 0.02 | 0.00 | System (%): 100.00 | 0.00 |