444-namd

Exec Time (%) Codelet Name Error (%)
65.8 ComputeList__ZN11ComputeList11runComput... 100.0
13.2 ComputeNonbondedUtil___ComputeNonbonded... 4.6
10.7 ComputeNonbondedUtil___ComputeNonbonded... 4.2
9.9 ComputeNonbondedUtil___ComputeNonbonded... 0.6
11.9 ComputeNonbondedUtil___ComputeNonbonded... 7.9
10.4 ComputeNonbondedUtil___ComputeNonbonded... 5.3
9.7 ComputeNonbondedUtil___ComputeNonbonded... 4.4
33.3 ComputeList__ZN11ComputeList11runComput... 100.0
5.2 ComputeNonbondedUtil___ComputeNonbonded... 5.6
5.3 ComputeNonbondedUtil___ComputeNonbonded... 5.9
4.6 ComputeNonbondedUtil___ComputeNonbonded... 3.3
7.1 ComputeNonbondedUtil___ComputeNonbonded... 4.3
4.6 ComputeNonbondedUtil___ComputeNonbonded... 3.2
6.3 ComputeNonbondedUtil___ComputeNonbonded... 6.9

Exec Time : 8.527819e+10 cycles

Matching : 98.9%

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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil16calc_pair_energyEP9nonbonded_321


Real time: 9.132636e+09 -- Predicted time: 9.539336e+09

Callcount: 5616

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
2467 ### 1 3821.08950189531 9.154720e+05 8.716240e+05 4.7
1776 ### 2 1289.38751790869 4.685353e+06 4.374972e+06 6.6
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil19calc_pair_fullelectEP9nonbonded_321


Real time: 1.019837e+10 -- Predicted time: 1.107363e+10

Callcount: 5616

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
721 ### 1 3778.40623772882 1.028501e+06 9.575280e+05 6.9
647 ### 2 1287.68895666406 5.581730e+06 5.100524e+06 8.6
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil16calc_self_energyEP9nonbonded_321


Real time: 4.470480e+09 -- Predicted time: 4.740012e+09

Callcount: 432

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
139 ### 1 68.920216574992 1.087678e+07 1.026674e+07 5.6
273 ### 2 76.0601366927147 1.118956e+07 1.056560e+07 5.5
127 ### 3 43.6280420827816 9.576117e+06 9.034764e+06 5.6
359 ### 4 67.6641104611249 1.022853e+07 9.683624e+06 5.3
6 ### 5 45.0445026856359 1.162129e+07 1.095979e+07 5.6
166 ### 6 51.0320737990333 1.049844e+07 9.940076e+06 5.3
165 ### 7 45.0114122309667 1.198550e+07 1.134432e+07 5.3
44 ### 8 34.4862666158504 1.248886e+07 1.184923e+07 5.1
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil26calc_self_energy_fullelectEP9nonbonded_321


Real time: 6.098057e+09 -- Predicted time: 6.373492e+09

Callcount: 432

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
322 ### 1 69.092468233355 1.410932e+07 1.344492e+07 4.7
194 ### 2 52.9558244087889 1.510980e+07 1.438505e+07 4.7
213 ### 3 42.849836166325 1.274996e+07 1.213182e+07 4.8
122 ### 4 61.7225142406198 1.374546e+07 1.305702e+07 5.0
114 ### 5 78.0026019361222 1.459249e+07 1.397267e+07 4.2
294 ### 6 42.9959872053159 1.552347e+07 1.480365e+07 4.6
83 ### 7 50.1438134298141 1.618386e+07 1.531220e+07 5.3
63 ### 8 28.150540962818 1.689046e+07 1.603659e+07 5.0
231 ### 9 6.08591224531134 1.824855e+07 1.729877e+07 5.2
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil25calc_self_merge_fullelectEP9nonbonded_321


Real time: 3.996332e+09 -- Predicted time: 4.132010e+09

Callcount: 432

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
29 ### 1 68.0144807779966 9.426941e+06 8.906980e+06 5.5
144 ### 2 73.9600864957301 9.801950e+06 9.187968e+06 6.2
365 ### 3 33.9118604529171 8.200028e+06 7.777848e+06 5.1
18 ### 4 81.0171481617212 9.029367e+06 8.579112e+06 4.9
344 ### 5 40.8958729654131 1.009001e+07 9.512496e+06 5.7
304 ### 6 45.1177118460032 1.028660e+07 9.762280e+06 5.0
413 ### 7 39.9214105944827 8.662944e+06 8.253428e+06 4.7
130 ### 8 43.0750585912443 1.075552e+07 1.022678e+07 4.9
57 ### 9 5.91135315782005 1.190883e+07 1.133225e+07 4.8
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil9calc_selfEP9nonbonded_321


Real time: 3.998277e+09 -- Predicted time: 4.138374e+09

Callcount: 432

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
340 ### 1 80.870194847991 9.497667e+06 9.182748e+06 3.3
120 ### 2 79.0333436820077 9.763101e+06 9.482696e+06 2.8
205 ### 3 45.6501060562453 8.338751e+06 8.116448e+06 2.6
23 ### 4 105.882329004935 8.973317e+06 8.748732e+06 2.5
197 ### 5 70.0226462178907 1.025338e+07 9.931548e+06 3.1
63 ### 6 50.4003499834745 1.091134e+07 1.051707e+07 3.6
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__invivo__ComputeNonbondedUtil___ComputeNonbondedBase__ZN20ComputeNonbondedUtil32calc_pair_energy_merge_fullelectEP9nonbonded_321


Real time: 8.936552e+09 -- Predicted time: 9.440031e+09

Callcount: 5616

Invocation Cluster Part Invitro (cycles) Invivo (cycles) Error (%)
2722 ### 1 3815.6197224669 9.121990e+05 8.673560e+05 4.9
625 ### 2 1287.1738054534 4.629854e+06 4.366008e+06 5.6