| 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 94 | exec | ljForce.c:191-191,ljForce.c:197-216 | ljForce._omp_fn.1 | Innermost | 11.92 | 12.89 | 87.38 | 1.55 | 1.55 | 3.82 - 3.72 | 1.17 | 2 | 11.06 | 27.77 | 298.30 | 4.25 | 2.75 | 2.75 | 1.11 - 1.14 | 3.63 |
| ○Loop 93 | exec | ljForce.c:187-187,ljForce.c:191-191,ljForce.c:197-197 | ljForce._omp_fn.1 | InBetween | 0.45 | 0.44 | 3.00 | 1.95 | 1.00 | 5.67 | 3.55 | 4 | 13.33 | 23.54 | 280.91 | 1.63 | 0.83 | 1.63 | 0.29 | 0.46 |
| ○Loop 89 | exec | mytype.h:22-24,ljForce.c:161-161 | ljForce._omp_fn.0 | Single | 0.31 | 0.28 | 1.88 | 1.00 | 1.00 | 1.50 | 12.00 | 1 | 100.00 | 66.67 | 0.00 | 12.00 | 12.00 | 12.00 | 8.00 | 1.00 |
| ○Loop 105 | exec | timestep.c:74-76 | advanceVelocity._omp_fn.0 | Innermost | 0.23 | 0.22 | 1.47 | 1.00 | 1.33 | 1.33 | 2.67 | 1 | 100.00 | 66.67 | 17.43 | 8.00 | 8.00 | 6.00 | 6.00 | 3.00 |
| ○Loop 62 | exec | haloExchange.c:623-630 | sortAtomsInCell | Single | 0.22 | 0.20 | 1.34 | 1.00 | 1.00 | 2.90 | 14.00 | 1 | 33.33 | 38.89 | 0.00 | 14.00 | 14.00 | 14.00 | 4.83 | 1.00 |
| ○Loop 102 | exec | timestep.c:88-94 | advancePosition._omp_fn.0 | Innermost | 0.23 | 0.17 | 1.13 | 1.10 | 1.00 | 4.19 - 2.10 | 2.09 - 1.05 | 1 | 0.00 | 24.31 | 23.01 | 7.33 | 6.67 | 7.33 | 1.75 - 3.50 | 3.50 - 6.99 |
| ○Loop 103 | exec | timestep.c:71-71,timestep.c:74-78 | advanceVelocity._omp_fn.0 | Outermost | 0.15 | 0.10 | 0.66 | 1.18 | 1.32 | 1.67 | 3.74 | 22 | 29.81 | 35.70 | 17.09 | 19.63 | 16.67 | 14.88 | 11.78 | 5.25 |
| ○Loop 85 | exec | linkCells.c:211-247,linkCells.c:295-301,linkCells.c:352-373 | updateLinkCells | Innermost | 3.23 | 0.07 | 0.45 | 4.38 | 1.39 | 7.23 | 4.38 | 56 | 6.94 | 18.06 | 74.74 | 17.50 | 4.00 | 12.63 | 2.42 | 4.00 |
| ○Loop 92 | exec | ljForce.c:178-184,ljForce.c:187-187,ljForce.c:191-191 | ljForce._omp_fn.1 | InBetween | 0.11 | 0.06 | 0.40 | 1.00 | 1.00 | 5.87 | 5.50 | 5 | 0.00 | 18.06 | 214.66 | 2.75 | 2.75 | 2.75 | 0.47 | 0.50 |
| ○Loop 60 | exec | haloExchange.c:633-642 | sortAtomsInCell | Single | 0.05 | 0.03 | 0.18 | 1.33 | 1.00 | 4.57 | 10.67 | 1 | 0.00 | 21.88 | 0.00 | 10.67 | 8.00 | 10.67 | 2.33 | 1.00 |
| ○Loop 101 | exec | timestep.c:88-88,timestep.c:91-94 | advancePosition._omp_fn.0 | Outermost | 0.03 | 0.02 | 0.10 | 1.38 | 1.22 | 5.07 - 3.64 | 3.00 - 1.83 | 4 | 0.00 | 22.09 | 21.09 | 4.13 | 3.00 | 3.38 | 0.81 - 1.13 | 1.38 - 2.25 |
| ○Loop 33 | exec | haloExchange.c:380-389 | loadAtomsBuffer | Innermost | 0.50 | 0.01 | 0.07 | 1.13 | 1.13 | 4.69 | 5.67 | 1 | 0.00 | 22.37 | 10.52 | 5.67 | 5.00 | 5.00 | 1.21 | 1.00 |
| ○Loop 108 | exec | timestep.c:110-116 | kineticEnergy._omp_fn.0 | Innermost | 0.02 | 0.01 | 0.05 | 1.00 - 1.75 | 2.00 | 2.28 - 2.00 | 1.00 | 1 | 5.26 | 25.00 | 39.62 | 8.00 - 13.99 | 8.00 | 6.00 - 6.99 | 3.50 - 6.99 | 8.00 - 13.99 |
| ○Loop 90 | exec | ljForce.c:175-175,ljForce.c:178-180,ljForce.c:187-187 | ljForce._omp_fn.1 | Outermost | 0.02 | 0.00 | 0.03 | 1.00 | 1.00 | 1.96 | 1.75 | 2 | 0.00 | 24.31 | 99.86 | 1.75 | 1.75 | 1.75 | 0.89 | 1.00 |
| ○Loop 107 | exec | timestep.c:110-116 | kineticEnergy._omp_fn.0 | Outermost | 0.01 | 0.00 | 0.01 | 2.63 - 3.50 | 2.00 | 3.00 - 2.00 | 1.50 - 1.00 | 8 | 7.69 | 25.96 | 4.53 | 7.88 - 10.49 | 3.00 | 4.33 - 5.24 | 2.63 - 5.24 | 5.25 - 10.49 |
| ○Loop 68 | exec | initAtoms.c:179-181 | setTemperature._omp_fn.1 | Innermost | 0.01 | 0.00 | 0.01 | NA | NA | NA | NA | NA | NA | NA | 6.04 | NA | NA | NA | NA | NA |
| ○Loop 100 | exec | random.c:26-29,random.c:45-48 | gasdev | Single | 0.01 | 0.00 | 0.01 | NA | NA | NA | NA | NA | NA | NA | 22.66 | NA | NA | NA | NA | NA |
| ○Loop 44 | exec | haloExchange.c:414-414,haloExchange.c:424-424 | unloadAtomsBuffer | Single | 0.04 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 46.62 | NA | NA | NA | NA | NA |
| ○Loop 84 | exec | linkCells.c:291-295 | updateLinkCells | Outermost | 0.03 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 92.67 | NA | NA | NA | NA | NA |
| ○Loop 73 | exec | mytype.h:22-24,initAtoms.c:39-46 | initAtoms | Single | 0.03 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 109 | exec | timestep.c:154-154 | redistributeAtoms._omp_fn.0 | Single | 0.01 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 80 | exec | linkCells.c:152-153,linkCells.c:209-247 | getNeighborBoxes | Innermost | 0.02 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |
| ○Loop 32 | exec | haloExchange.c:376-383,haloExchange.c:390-390 | loadAtomsBuffer | Outermost | 0.02 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 52.38 | NA | NA | NA | NA | NA |
| ○Loop 72 | exec | initAtoms.c:197-202 | randomDisplacements._omp_fn.0 | Innermost | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | NA | NA | NA |