| ID | Module | Source Location | Source Function | Level | Max Time Over Threads (s) | Time w.r.t. Wall Time (s) | Coverage (% app. time) | Speedup if no scalar integer | Speedup if FP arith vectorized | Speedup if fully vectorized | Speedup if FP only | Number of paths | Vectorization Ratio (%) | Vector Length Use (%) | Flops (GFLOP/s) | CQA cycles | CQA cycles if no scalar integer | CQA cycles if FP arith vectorized | CQA cycles if fully vectorized | CQA cycles if FP only |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ○Loop 100 | exec | ljForce.c:191-191,ljForce.c:197-198,ljForce.c:201-201,ljForce.c:206-210,ljForce.c:213-213,ljForce.c:216-216 | ljForce.omp_outlined.2 | Outermost | 12.29 | 10.37 | 55.70 | 1.35 | 1.27 | 3.38 | 1.29 | 1 | 17.07 | 28.96 | 375.25 | 6.75 | 5.00 | 5.33 | 2.00 | 5.25 |
| ○Loop 109 | exec | timestep.c:74-78 | advanceVelocity.omp_outlined | Innermost | 0.26 | 0.23 | 1.22 | 1.00 | 1.78 | 1.33 | 2.00 | 1 | 80.00 | 60.00 | 20.14 | 2.00 | 2.00 | 1.13 | 1.50 | 1.00 |
| ○Loop 95 | exec | mytype.h:23-23,ljForce.c:158-161 | ljForce.omp_outlined | Single | 0.23 | 0.21 | 1.12 | 1.00 | 1.00 | 5.00 | 2.50 | 1 | 0.00 | 27.50 | 0.00 | 2.50 | 2.50 | 2.50 | 0.50 | 1.00 |
| ○Loop 62 | exec | haloExchange.c:621-630 | sortAtomsInCell | Single | 0.25 | 0.20 | 1.09 | 1.33 | 1.00 | 4.41 | 5.33 | 1 | 0.00 | 22.06 | 0.00 | 5.33 | 4.00 | 5.33 | 1.21 | 1.00 |
| ○Loop 111 | exec | timestep.c:88-94 | advancePosition.omp_outlined | Innermost | 0.17 | 0.15 | 0.79 | 1.00 | 1.08 | 4.00 - 2.57 | 2.57 - 1.29 | 1 | 5.00 | 25.63 | 26.98 | 4.50 | 4.50 | 4.17 | 1.13 - 1.75 | 1.75 - 3.50 |
| ○Loop 99 | exec | ljForce.c:184-184,ljForce.c:187-187,ljForce.c:191-191 | ljForce.omp_outlined.2 | InBetween | 0.21 | 0.13 | 0.69 | 1.00 | 1.00 | 5.09 | 5.25 | 1 | 0.00 | 22.50 | 339.26 | 1.75 | 1.75 | 1.75 | 0.34 | 0.33 |
| ○Loop 91 | exec | linkCells.c:295-301,linkCells.c:352-365,linkCells.c:371-371,linkCells.c:378-378 | updateLinkCells | Innermost | 1.91 | 0.03 | 0.17 | 2.48 | 1.05 | 4.20 | 4.63 | 4 | 14.36 | 24.00 | 99.14 | 5.78 | 2.33 | 5.50 | 1.38 | 1.25 |
| ○Loop 98 | exec | ljForce.c:175-175,ljForce.c:178-182,ljForce.c:187-187 | ljForce.omp_outlined.2 | InBetween | 0.06 | 0.03 | 0.15 | 1.00 | 1.00 | 8.00 | 4.00 | 1 | 0.00 | 20.83 | 273.47 | 2.00 | 2.00 | 2.00 | 0.25 | 0.50 |
| ○Loop 108 | exec | timestep.c:74-78 | advanceVelocity.omp_outlined | Innermost | 0.03 | 0.01 | 0.07 | 1.00 | 1.00 | 3.68 | 3.83 | 1 | 7.14 | 26.79 | 16.05 | 3.83 | 3.83 | 3.83 | 1.04 | 1.00 |
| ○Loop 45 | exec | haloExchange.c:380-389 | loadAtomsBuffer | Innermost | 0.57 | 0.01 | 0.05 | 1.42 | 1.00 | 4.69 | 5.67 | 1 | 0.00 | 22.28 | 9.19 | 5.67 | 4.00 | 5.67 | 1.21 | 1.00 |
| ○Loop 114 | exec | timestep.c:110-116 | kineticEnergy.omp_outlined | Innermost | 0.02 | 0.01 | 0.05 | 1.00 | 2.00 | 2.28 - 2.00 | 1.00 | 1 | 16.67 | 28.13 | 38.18 | 2.00 - 3.50 | 2.00 - 3.50 | 1.50 - 1.75 | 0.88 - 1.75 | 2.00 - 3.50 |
| ○Loop 64 | exec | haloExchange.c:633-642 | sortAtomsInCell | Single | 0.03 | 0.01 | 0.03 | 1.00 | 1.00 | 2.14 | 10.17 | 1 | 72.97 | 47.30 | 0.00 | 10.17 | 10.17 | 10.17 | 4.75 | 1.00 |
| ○Loop 70 | exec | initAtoms.c:126-133 | setVcm.omp_outlined | Innermost | 0.01 | 0.00 | 0.03 | 1.00 | 1.11 | 4.00 | 3.50 | 1 | 7.69 | 25.96 | 9.22 | 3.50 | 3.50 | 3.17 | 0.88 | 1.00 |
| ○Loop 63 | exec | haloExchange.c:633-642 | sortAtomsInCell | Single | 0.02 | 0.00 | 0.02 | 1.33 | 1.00 | 4.41 | 5.33 | 1 | 0.00 | 22.06 | 0.00 | 5.33 | 4.00 | 5.33 | 1.21 | 1.00 |
| ○Loop 107 | exec | timestep.c:72-74,timestep.c:77-77 | advanceVelocity.omp_outlined | Outermost | 0.01 | 0.00 | 0.01 | 12.67 | 1.00 | 2.34 | 12.67 | 1 | 0.00 | 25.00 | 22.79 | 9.50 | 0.75 | 9.50 | 4.06 | 0.75 |
| ○Loop 78 | exec | initAtoms.c:154-162 | setTemperature.omp_outlined | Innermost | 0.01 | 0.00 | 0.01 | 3.23 - 3.34 | 2.00 | 4.00 - 2.00 | 2.00 - 1.00 | 1 | 0.00 | 23.61 | 43.29 | 7.00 - 7.24 | 2.17 | 3.50 - 3.62 | 1.75 - 3.62 | 3.50 - 7.24 |
| ○Loop 105 | exec | random.c:26-29,random.c:45-48 | gasdev | Single | 0.01 | 0.00 | 0.01 | 1.00 | 1.23 | 4.00 | 1.00 | 1 | 0.00 | 25.00 | 72.52 | 24.00 | 24.00 | 19.50 | 6.00 | 24.00 |
| ○Loop 97 | exec | ljForce.c:173-178 | ljForce.omp_outlined.2 | Innermost | 0.02 | 0.00 | 0.01 | NA | NA | NA | NA | NA | NA | NA | 52.45 | NA | NA | NA | NA | NA |
| ○Loop 110 | exec | timestep.c:86-88 | advancePosition.omp_outlined | Outermost | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 12.43 | NA | NA | NA | NA | NA |
| ○Loop 83 | exec | initAtoms.c:197-202 | randomDisplacements.omp_outlined | Innermost | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 115 | exec | timestep.c:153-154 | redistributeAtoms.omp_outlined | Single | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 89 | exec | linkCells.c:291-295 | updateLinkCells | Innermost | 0.02 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 120.43 | NA | NA | NA | NA | NA |
| ○Loop 47 | exec | haloExchange.c:414-424 | unloadAtomsBuffer | Single | 0.02 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 23.31 | NA | NA | NA | NA | NA |
| ○Loop 44 | exec | haloExchange.c:376-380 | loadAtomsBuffer | Innermost | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 67.34 | NA | NA | NA | NA | NA |
| ○Loop 90 | exec | linkCells.c:291-291,linkCells.c:295-295 | updateLinkCells | Outermost | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 101.01 | NA | NA | NA | NA | NA |
| ○Loop 113 | exec | timestep.c:108-110 | kineticEnergy.omp_outlined | Outermost | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 8 | exec | CoMD.c:332-334 | main | Single | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |