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 95 | exec | ljForce.c:191-191,ljForce.c:197-216 | ljForce.extracted | Innermost | 16.56 | 10.56 | 40.92 | 1.00 | 2.51 | 5.18 | 1.00 | 3 | 35.93 | 16.99 | 189.94 | 5.17 | 5.17 | 2.06 | 1.00 | 5.17 |
○Loop 91 | exec | mytype.h:23-23,ljForce.c:157-158 | ljForce.extracted.25 | Single | 1.01 | 0.77 | 2.99 | 2.00 | 1.00 | 6.40 | 8.00 | 1 | 50.00 | 15.63 | 0.00 | 8.00 | 4.00 | 8.00 | 1.25 | 1.00 |
○Loop 59 | exec | haloExchange.c:621-629 | sortAtomsInCell | Single | 0.83 | 0.6 | 2.34 | 1.60 | 1.00 | 5.55 | 2.67 | 1 | 50.00 | 22.92 | 0.00 | 2.67 | 1.67 | 2.67 | 0.48 | 1.00 |
○Loop 104 | exec | timestep.c:74-78 | advanceVelocity.extracted | Innermost | 0.87 | 0.55 | 2.13 | 1.00 | 1.08 | 2.31 | 6.22 | 1 | 92.31 | 40.71 | 5.83 | 18.67 | 18.67 | 17.33 | 8.08 | 3.00 |
○Loop 108 | exec | timestep.c:88-94 | advancePosition.extracted | Innermost | 0.49 | 0.35 | 1.35 | 1.06 | 1.11 | 1.42 | 1.42 | 1 | 84.44 | 38.06 | 6.96 | 11.33 | 10.67 | 10.17 | 8.00 | 8.00 |
○Loop 94 | exec | ljForce.c:187-187,ljForce.c:197-197 | ljForce.extracted | InBetween | 0.15 | 0.08 | 0.33 | 1.00 | 1.00 | 8.00 | 2.67 | 3 | 0.00 | 12.50 | 365.47 | 1.33 | 1.33 | 1.33 | 0.17 | 0.50 |
○Loop 103 | exec | timestep.c:74-78 | advanceVelocity.extracted | Innermost | 0.14 | 0.07 | 0.27 | 1.11 | 1.25 | 6.00 | 1.67 | 1 | 50.00 | 18.75 | 13.29 | 1.67 | 1.50 | 1.33 | 0.28 | 1.00 |
○Loop 87 | exec | linkCells.c:209-221,linkCells.c:227-247,linkCells.c:258-269,linkCells.c:295-301,linkCells.c:327-334,linkCells.c:352-353,linkCells.c:359-365,linkCells.c:371-371 | updateLinkCells | Innermost | 3.18 | 0.06 | 0.22 | 2.56 | 2.51 | 11.08 | 3.37 | 70 | 35.48 | 14.62 | 39.17 | 32.00 | 12.50 | 12.76 | 2.89 | 9.50 |
○Loop 93 | exec | ljForce.c:178-184,ljForce.c:187-187,ljForce.c:191-191,ljForce.c:197-197 | ljForce.extracted | InBetween | 0.09 | 0.04 | 0.15 | 1.00 | 1.00 | 13.93 | 2.42 | 4 | 0.00 | 8.91 | 317.90 | 3.63 | 3.63 | 3.63 | 0.26 | 1.50 |
○Loop 101 | exec | timestep.c:110-116 | kineticEnergy.extracted | Innermost | 0.05 | 0.03 | 0.11 | 1.00 | 1.00 | 1.00 | 1.00 | 1 | 84.00 | 40.00 | 8.45 | 8.00 | 8.00 | 8.00 | 8.00 | 8.00 |
○Loop 107 | exec | timestep.c:88-94 | advancePosition.extracted | Innermost | 0.04 | 0.02 | 0.07 | 1.00 | 2.00 | 2.00 | 1.00 | 1 | 37.50 | 17.19 | 15.00 | 4.00 | 4.00 | 2.00 | 2.00 | 4.00 |
○Loop 102 | exec | timestep.c:71-78 | advanceVelocity.extracted | Outermost | 0.04 | 0.01 | 0.03 | 2.38 | 1.00 | 14.25 | 2.38 | 8 | 11.11 | 11.11 | 48.80 | 9.50 | 4.00 | 9.50 | 0.67 | 4.00 |
○Loop 47 | exec | haloExchange.c:380-389 | loadAtomsBuffer | Innermost | 0.4 | 0.01 | 0.03 | 1.58 | 1.06 | 7.24 | 3.17 | 1 | 30.77 | 13.94 | 14.40 | 3.17 | 2.00 | 3.00 | 0.44 | 1.00 |
○Loop 60 | exec | haloExchange.c:633-642 | sortAtomsInCell | Single | 0.03 | 0.01 | 0.03 | 1.50 | 1.00 | 6.86 | 3.00 | 1 | 33.33 | 14.58 | 0.00 | 3.00 | 2.00 | 3.00 | 0.44 | 1.00 |
○Loop 106 | exec | timestep.c:85-94 | advancePosition.extracted | Outermost | 0.02 | 0 | 0.02 | 1.00 | 1.00 | 14.51 | 3.71 | 8 | 0.00 | 11.25 | NA | 13.00 | 13.00 | 13.00 | 0.90 | 3.50 |
○Loop 79 | exec | initAtoms.c:197-202,random.c:45-48,random.c:68-70 | randomDisplacements.extracted | Innermost | 0 | 0 | 0.02 | 9.45 | 1.45 | 8.00 | 18.90 | 1 | 2.78 | 12.85 | NA | 37.80 | 4.00 | 26.07 | 4.72 | 2.00 |
○Loop 74 | exec | initAtoms.c:154-162,random.c:29-31,random.c:46-46,random.c:67-70 | setTemperature.extracted.30 | InBetween | 0 | 0 | 0.01 | 1.00 | 2.00 | 2.00 | 1.00 | 1 | 9.68 | 13.64 | NA | 34.00 | 34.00 | 17.00 | 17.00 | 34.00 |
○Loop 69 | exec | initAtoms.c:126-133 | setVcm.extracted | Innermost | 0 | 0 | 0.01 | 1.08 | 1.12 | 2.67 | 5.78 | 1 | 81.82 | 37.12 | NA | 8.67 | 8.00 | 7.75 | 3.25 | 1.50 |
○Loop 92 | exec | ljForce.c:172-175,ljForce.c:180-182,ljForce.c:187-187 | ljForce.extracted | Outermost | 0.01 | 0 | 0.01 | 1.00 | 1.00 | 15.70 | 1.07 | 2 | 0.00 | 7.34 | NA | 8.83 | 8.83 | 8.83 | 0.56 | 8.25 |
○Loop 111 | exec | timestep.c:152-154 | redistributeAtoms.extracted | Single | 0.01 | 0 | 0.01 | 1.00 | 1.00 | 10.50 | 7.00 | 1 | 0.00 | 12.13 | NA | 7.00 | 7.00 | 7.00 | 0.67 | 1.00 |
○Loop 100 | exec | timestep.c:110-116 | kineticEnergy.extracted | Innermost | 0.01 | 0 | 0.01 | 1.00 | 2.00 | 2.00 | 1.00 | 1 | 0.00 | 12.50 | NA | 4.00 | 4.00 | 2.00 | 2.00 | 4.00 |
○Loop 66 | exec | initAtoms.c:218-228 | computeVcm.extracted | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 71 | exec | random.c:27-29,random.c:45-48 | setTemperature.extracted.30 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 48 | exec | haloExchange.c:414-424 | unloadAtomsBuffer | Single | 0.05 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 86 | exec | linkCells.c:229-229,linkCells.c:291-297,linkCells.c:329-329,linkCells.c:353-353,linkCells.c:359-359,linkCells.c:365-365 | updateLinkCells | Outermost | 0.04 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 99 | 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 77 | 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 72 | exec | random.c:27-29,random.c:45-48 | setTemperature.extracted.30 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 46 | exec | haloExchange.c:376-384,haloExchange.c:387-387 | loadAtomsBuffer | Outermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 73 | exec | random.c:27-29,random.c:45-48 | setTemperature.extracted.30 | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 85 | exec | linkCells.c:151-153,linkCells.c:209-221,linkCells.c:227-237,linkCells.c:246-247 | getNeighborBoxes | Innermost | 0.01 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 68 | 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 63 | exec | initAtoms.c:90-100 | createFccLattice | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 78 | exec | initAtoms.c:194-200 | randomDisplacements.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 13 | exec | CoMD.c:332-334 | main | Innermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 98 | exec | timestep.c:35-42,timestep.c:54-54,timestep.c:65-65,timestep.c:71-72,timestep.c:85-86,timestep.c:146-153,performanceTimers.c:94-103,performanceTimers.c:247-248 | timestep | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 67 | exec | initAtoms.c:123-133 | setVcm.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 64 | exec | initAtoms.c:218-228 | computeVcm.extracted | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 81 | exec | linkCells.c:118-120 | initLinkCells | Single | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
○Loop 70 | exec | initAtoms.c:151-160,random.c:27-27 | setTemperature.extracted.30 | Outermost | 0 | 0 | 0 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |