| 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 | 54.16 | 17.01 | 14.11 | 112 | 7.49 | 1.98 | Exe (%): 100.00 | 147.91 | 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/171-322-9862/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 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 87 - ljForce.c:178-216 - exec [...] | 0.15 | 0.08 | 0.04 | 112 | 0.05 | 0.01 | 318.08 | |||
| ►Loop 88 - ljForce.c:187-216 - exec [...] | 0.38 | 0.17 | 0.1 | 112 | 0.10 | 0.03 | 270.43 | |||
| ○Loop 89 - ljForce.c:191-216 - exec [...] | 53.63 | 16.89 | 13.97 | 112 | 7.47 | 1.97 | 146.50 | |||
| ○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 35.11 | 14.3 | 9.15 | 112 | 7.21 | 1.86 | OMP (%): 100.00 | 0.00 | |
| ►ljForce.extracted.25 | exec | 2.98 | 1.01 | 0.78 | 112 | 0.67 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○Loop 91 - ljForce.c:158-162 - exec [...] | 2.98 | 1.01 | 0.78 | 112 | 0.67 | 0.17 | 0.00 | |||
| ○Loop 90 - ljForce.c:158-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►advanceVelocity.extracted | exec | 2.34 | 0.86 | 0.61 | 112 | 0.76 | 0.20 | Exe (%): 100.00 | 7.89 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 94 - timestep.c:72-80 - exec | 0.03 | 0.04 | 0.01 | 107 | 0.03 | 0.01 | 39.40 | |||
| ○Loop 96 - timestep.c:74-78 - exec | 2.02 | 0.78 | 0.53 | 112 | 0.69 | 0.18 | 6.60 | |||
| ○Loop 95 - timestep.c:74-78 - exec | 0.28 | 0.18 | 0.07 | 112 | 0.14 | 0.04 | 13.11 | |||
| ○Loop 97 - timestep.c:74-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►sortAtomsInCell | exec | 2.23 | 0.82 | 0.58 | 112 | 0.62 | 0.16 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○Loop 58 - haloExchange.c:621-629 - exec | 2.18 | 0.81 | 0.57 | 112 | 0.60 | 0.16 | 0.00 | |||
| ○Loop 59 - haloExchange.c:633-642 - exec | 0.03 | 0.03 | 0.01 | 81 | 0.02 | 0.01 | 0.00 | |||
| ►advancePosition.extracted | exec | 1.33 | 0.48 | 0.35 | 112 | 0.40 | 0.10 | Exe (%): 100.00 | 7.93 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 98 - timestep.c:86-96 - exec | 0.02 | 0.03 | 0 | 100 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 100 - timestep.c:88-94 - exec | 1.15 | 0.45 | 0.3 | 112 | 0.37 | 0.09 | 6.43 | |||
| ○Loop 99 - timestep.c:88-94 - exec | 0.16 | 0.09 | 0.04 | 112 | 0.07 | 0.02 | 13.59 | |||
| ○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 | 0.48 | 0.25 | 0.13 | 112 | 0.15 | 0.04 | OMP (%): 100.00 | 0.00 | |
| ►__intel_avx_rep_memset | exec | 0.32 | 0.19 | 0.08 | 112 | 0.14 | 0.04 | Memory (%): 100.00 | 0.00 | |
| ○Loop 134 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○unknown_function | Unknown module | 0.3 | 0.22 | 0.08 | 112 | 0.12 | 0.03 | Others (%): 100.00 | 0.00 | |
| ►updateLinkCells | exec | 0.21 | 3.12 | 0.06 | 2 | 0.00 | 0.02 | Exe (%): 100.00 | 40.40 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 82 - linkCells.c:209-371 - exec [...] | 0 | 0.07 | 0 | 2 | 0.10 | 0.02 | 0.00 | |||
| ○Loop 83 - linkCells.c:209-371 - exec [...] | 0.21 | 3.06 | 0.05 | 2 | 0.10 | 0.01 | 46.93 | |||
| ○unknown_kernel_region | kernel | 0.14 | 0.47 | 0.04 | 112 | 0.22 | 0.06 | MPI (%): 9.56 System (%): 89.95 OMP (%): 0.49 | 0.70 | |
| ►kineticEnergy.extracted | exec | 0.13 | 0.06 | 0.03 | 112 | 0.04 | 0.01 | Exe (%): 100.00 | 12.87 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 104 - timestep.c:108-118 - exec | 0 | 0.01 | 0 | 38 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 106 - timestep.c:110-116 - exec | 0.12 | 0.06 | 0.03 | 112 | 0.04 | 0.01 | 9.90 | |||
| ○Loop 105 - timestep.c:110-116 - exec | 0.01 | 0.01 | 0 | 45 | 0.01 | 0.00 | 0.00 | |||
| ○sortAtomsById | exec | 0.06 | 0.04 | 0.01 | 108 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○putAtomInBox | exec | 0.04 | 0.59 | 0.01 | 2 | 0.03 | 0.01 | Exe (%): 100.00 | 20.10 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○__GI___sched_yield | libc-2.28.so | 0.03 | 0.03 | 0.01 | 79 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
| ►loadAtomsBuffer | exec | 0.03 | 0.44 | 0.01 | 2 | 0.08 | 0.02 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 45 - haloExchange.c:376-389 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 46 - haloExchange.c:380-389 - exec | 0.03 | 0.43 | 0.01 | 2 | 0.08 | 0.02 | 13.55 | |||
| ○__kmp_yield | libiomp5.so | 0.02 | 0.02 | 0 | 63 | 0.02 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○I_MPI_memcpy_stream_nontemporal_avx512 | libmpi.so.12.0.0 | 0.01 | 0.08 | 0 | 2 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ►setVcm.extracted | exec | 0.01 | 0.01 | 0 | 68 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ►Loop 63 - initAtoms.c:124-135 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 65 - initAtoms.c:126-133 - exec | 0.01 | 0.01 | 0 | 64 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 64 - initAtoms.c:126-133 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 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) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-322-9862/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 | 87 | 0.01 | 0.00 | 0.00 | |||
| ○mkSeed | exec | 0.01 | 0.01 | 0 | 107 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○.plt.sec@start | libc-2.28.so | 0.01 | 0.02 | 0 | 29 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
| ○__libm_log_z0 | exec | 0.01 | 0 | 0 | 86 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
| ►gasdev | exec | 0.01 | 0.01 | 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/171-322-9862/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoseret... |
| ○Loop 92 - random.c:27-48 - exec [...] | 0 | 0.01 | 0 | 81 | 0.01 | 0.00 | 0.00 |