| 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 145 | exec | ljForce.c:191-191,ljForce.c:197-216 | ljForce.extracted | Innermost | 3.85 | 3.17 | 29.79 | 1.07 | 2.31 | 4.60 | 1.23 | 3 | 44.07 | 18.01 | 1151.09 | 5.33 | 5.00 | 2.31 | 1.16 | 4.33 |
| ○Loop 84 | exec | haloExchange.c:621-630 | sortAtomsInCell.A | Single | 0.19 | 0.11 | 1.07 | 1.50 | 1.00 | 4.57 | 4.00 | 1 | 33.33 | 14.58 | 32.34 | 4.00 | 2.67 | 4.00 | 0.88 | 1.00 |
| ○Loop 147 | exec | mytype.h:23-23,ljForce.c:157-158 | ljForce.extracted.27 | Single | 0.17 | 0.1 | 0.94 | 1.33 | 1.00 | 5.33 | 5.33 | 1 | 50.00 | 15.63 | 17.59 | 5.33 | 4.00 | 5.33 | 1.00 | 1.00 |
| ○Loop 152 | exec | timestep.c:74-78 | advanceVelocity.extracted | Innermost | 0.13 | 0.07 | 0.68 | 1.00 | 1.00 | 4.80 | 2.00 | 1 | 0.00 | 12.50 | 139.02 | 3.00 | 3.00 | 3.00 | 0.63 | 1.50 |
| ○Loop 85 | exec | haloExchange.c:633-642 | sortAtomsInCell.A | Single | 0.14 | 0.05 | 0.5 | 1.50 | 1.00 | 4.57 | 4.00 | 1 | 33.33 | 14.58 | 11.03 | 4.00 | 2.67 | 4.00 | 0.88 | 1.00 |
| ○Loop 154 | exec | timestep.c:88-94 | advancePosition.extracted | Innermost | 0.1 | 0.04 | 0.38 | 1.00 | 1.46 | 4.00 | 1.00 | 1 | 7.69 | 13.46 | 126.00 | 5.00 | 5.00 | 3.42 | 1.25 | 5.00 |
| ○Loop 131 | exec | linkCells.c:295-301,linkCells.c:352-365,linkCells.c:371-371,linkCells.c:378-378 | updateLinkCells.A | Innermost | 3.58 | 0.04 | 0.34 | 1.70 | 1.84 | 5.11 | 5.00 | 24 | 46.81 | 17.15 | 324.57 | 15.00 | 8.83 | 8.17 | 2.94 | 3.00 |
| ○Loop 144 | exec | ljForce.c:187-187,ljForce.c:197-197 | ljForce.extracted | InBetween | 0.06 | 0.03 | 0.3 | 1.00 | 1.00 | 8.00 | 1.00 | 3 | 0.00 | 12.50 | 1389.43 | 3.00 | 3.00 | 3.00 | 0.38 | 3.00 |
| ○Loop 143 | exec | ljForce.c:178-184,ljForce.c:187-187,ljForce.c:191-191,ljForce.c:197-197 | ljForce.extracted | InBetween | 0.04 | 0.01 | 0.1 | 1.00 | 1.00 | 8.00 | 2.33 | 5 | 0.00 | 11.25 | 1777.65 | 4.67 | 4.67 | 4.67 | 0.58 | 2.00 |
| ○Loop 69 | exec | haloExchange.c:380-389 | loadAtomsBuffer.A | Innermost | 0.4 | 0 | 0.04 | 1.44 | 1.24 | 4.52 | 4.33 | 1 | 38.46 | 15.87 | NA | 4.33 | 3.00 | 3.50 | 0.96 | 1.00 |
| ○Loop 159 | exec | timestep.c:110-116 | kineticEnergy.extracted | Innermost | 0.01 | 0 | 0.02 | 1.00 | 1.48 | 2.00 | 1.00 | 1 | 80.77 | 22.12 | NA | 10.00 | 10.00 | 6.75 | 5.00 | 10.00 |
| ○Loop 142 | exec | ljForce.c:172-175,ljForce.c:178-180,ljForce.c:187-187,ljForce.c:191-191,ljForce.c:213-213 | ljForce.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 122 | exec | initAtoms.c:197-202 | randomDisplacements.extracted | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 70 | exec | haloExchange.c:414-424 | unloadAtomsBuffer.A | Single | 0.03 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 118 | exec | initAtoms.c:177-181 | setTemperature.extracted | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 153 | exec | timestep.c:85-92 | advancePosition.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 68 | exec | haloExchange.c:376-384,haloExchange.c:387-387 | loadAtomsBuffer.A | Outermost | 0.02 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 130 | exec | linkCells.c:291-295 | updateLinkCells.A | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 151 | exec | timestep.c:71-76 | advanceVelocity.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 112 | exec | initAtoms.c:91-100 | createFccLattice.A | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 156 | exec | timestep.c:152-154 | redistributeAtoms.extracted | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 158 | exec | timestep.c:110-116 | kineticEnergy.extracted | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 20 | exec | CoMD.c:332-334 | main.A | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 148 | exec | random.c:27-29,random.c:45-48 | gasdev.A | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 111 | exec | initAtoms.c:90-90,initAtoms.c:95-95 | createFccLattice.A | InBetween | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 120 | exec | initAtoms.c:154-162 | setTemperature.extracted.30 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 114 | exec | initAtoms.c:126-133 | setVcm.extracted | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 157 | exec | timestep.c:107-114 | kineticEnergy.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 133 | exec | linkCells.c:310-311 | maxOccupancy.A | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 119 | exec | initAtoms.c:151-156 | setTemperature.extracted.30 | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ○Loop 117 | exec | initAtoms.c:174-181 | setTemperature.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |