
amd_gpu_all_atom_rmsd_times
          1 GPU    2 GPU
 1abv_   17.768    9.028 
 1af7_   11.688    5.961 
 1ah9_   46.905   23.691 
 1aoy_   73.474   37.186 
 1b4bA   10.318    5.264 
 1b72A    8.404    4.375 
 1bm8_   44.654   22.622 
 1bq9A   25.601   12.994 
 1cewI   44.724   21.962 
 1cqkA   42.416   21.373 
 1csp_   10.395    5.339 
 1cy5A   94.030   47.989 
1dcjA_   32.217   16.093 
1di2A_   27.012   13.454 
1dtjA_   29.260   14.821 
 1egxA   50.349   25.187 
 1fadA   15.152    7.680 
 1fo5A   34.873   17.677 
 1g1cA   42.879   21.497 
 1gjxA   11.143    5.667 
 1gnuA   40.638   20.326 
 1gpt_   52.545   26.196 
 1gyvA   14.558    7.420 
 1hbkA   39.399   20.008 
 1itpA   10.443    5.282 
 1jnuA   44.465   22.532 
 1kjs_   32.352   16.345 
 1kviA   25.023   12.690 
1mkyA3   14.108    7.081 
1mla_2    9.260    4.665 
 1mn8A   14.691    7.440 
1n0uA4   10.109    5.149 
 1ne3A   10.370    5.217 
 1no5A   20.876   10.663 
 1npsA   35.672   18.025 
1o2fB_   11.107    5.670 
 1of9A   31.151   15.686 
1ogwA_   29.659   15.093 
 1orgA   45.847   23.000 
 1pgx_   22.485   11.336 
 1r69_   21.240   10.691 
 1sfp_   47.124   23.485 
 1shfA   24.986   12.658 
 1sro_   27.384   14.020 
 1ten_   38.476   19.423 
 1tfi_   56.143   28.022 
 1thx_  130.143   65.573 
 1tif_    9.143    4.628 
 1tig_   16.046    8.084 
 1vcc_   30.609   15.497 
 256bA   43.676   21.780 
 2a0b_  127.145   63.570 
 2cr7A    8.977    4.513 
 2f3nA   25.319   12.877 
 2pcy_   41.431   20.788 
2reb_2    9.428    4.745 
mean   32.951607  16.607821

amd_gpu_CA_rmsd_times
          1GPU     2 GPU
 1abv_    3.168    1.625 
 1af7_    2.772    1.421 
 1ah9_   13.344    6.768 
 1aoy_   18.615    9.560 
 1b4bA    2.745    1.420 
 1b72A    2.311    1.250 
 1bm8_    8.332    4.178 
 1bq9A    6.722    3.461 
 1cewI    8.636    4.295 
 1cqkA    8.301    4.356 
 1csp_    2.792    1.415 
 1cy5A   20.352    9.860 
1dcjA_    7.291    3.743 
1di2A_    7.108    3.667 
1dtjA_    7.404    3.756 
 1egxA    9.162    4.546 
 1fadA    3.074    1.541 
 1fo5A    8.112    4.073 
 1g1cA    8.164    4.175 
 1gjxA    3.052    1.506 
 1gnuA    7.143    3.631 
 1gpt_   16.689    8.477 
 1gyvA    3.038    1.532 
 1hbkA    7.606    4.000 
 1itpA    2.768    1.404 
 1jnuA    8.425    4.174 
 1kjs_    7.683    3.732 
 1kviA    6.675    3.411 
1mkyA3    2.800    1.482 
1mla_2    2.734    1.427 
 1mn8A    2.916    1.531 
1n0uA4    2.545    1.353 
 1ne3A    2.610    1.338 
 1no5A    3.157    1.611 
 1npsA    7.789    3.971 
1o2fB_    2.850    1.461 
 1of9A    7.434    3.771 
1ogwA_    6.556    3.349 
 1orgA    8.684    4.598 
 1pgx_    6.759    3.466 
 1r69_    6.122    3.109 
 1sfp_    8.974    4.535 
 1shfA    6.853    3.498 
 1sro_    7.076    3.677 
 1ten_    7.984    4.039 
 1tfi_   16.945    8.724 
 1thx_   22.845   11.384 
 1tif_    2.497    1.320 
 1tig_    3.113    1.634 
 1vcc_    7.221    3.710 
 256bA    8.652    4.396 
 2a0b_   24.210   11.824 
 2cr7A    2.436    1.272 
 2f3nA    6.821    3.512 
 2pcy_    8.288    4.187 
2reb_2    2.647    1.316 
mean     7.339321   3.722714

amd_gpu_tmscore_times
          1 GPU     2 GPU
1abv_ 1  45.4580   4.0817
1abv_ 2  22.7660   2.0442
1af7_ 1  19.7850   1.7765
1af7_ 2   9.0520   0.8128
1ah9_ 1  15.5840   1.3993
1ah9_ 2   6.8710   0.6169
1aoy_ 1   9.6800   0.8692
1aoy_ 2   5.2920   0.4752
1b4bA 1  20.0530   1.8006
1b4bA 2   9.8590   0.8852
1b72A 1  10.9650   0.9845
1b72A 2   3.4530   0.3100
1bm8_ 1  64.6530   5.8052
1bm8_ 2  27.3270   2.4537
1bq9A 1  11.6990   1.0505
1bq9A 2   7.2180   0.6481
1cewI 1  30.6980   2.7564
1cewI 2  16.1480   1.4499
1cqkA 1  23.9950   2.1545
1cqkA 2  14.2450   1.2791
1csp_ 1  12.1620   1.0920
1csp_ 2   5.9730   0.5363
1cy5A 1  13.6210   1.2230
1cy5A 2   7.2460   0.6506
1dcjA_ 1  17.7630   1.5949
1dcjA_ 2   8.3420   0.7490
1di2A_ 1  10.5980   0.9516
1di2A_ 2   5.7870   0.5196
1dtjA_ 1  13.2100   1.1861
1dtjA_ 2   6.8900   0.6187
1egxA 1  36.2920   3.2587
1egxA 2  17.8380   1.6017
1fadA 1  21.8010   1.9575
1fadA 2   6.3160   0.5671
1fo5A 1  22.7240   2.0404
1fo5A 2   9.8760   0.8868
1g1cA 1  17.5620   1.5769
1g1cA 2  12.1480   1.0908
1gjxA 1  26.6160   2.3898
1gjxA 2  10.5620   0.9484
1gnuA 1  58.0850   5.2154
1gnuA 2  33.0050   2.9635
1gpt_ 1   6.7960   0.6102
1gpt_ 2   2.5800   0.2317
1gyvA 1  50.8560   4.5663
1gyvA 2  20.1360   1.8080
1hbkA 1  38.5580   3.4621
1hbkA 2  17.1950   1.5439
1itpA 1  19.4010   1.7420
1itpA 2   9.6780   0.8690
1jnuA 1  31.6510   2.8419
1jnuA 2  12.2300   1.0981
1kjs_ 1  22.6340   2.0323
1kjs_ 2  10.4140   0.9351
1kviA 1   7.9740   0.7160
1kviA 2   2.5010   0.2246
1mkyA3 1  39.7370   3.5680
1mkyA3 2  16.3620   1.4691
1mla_2 1  17.1890   1.5434
1mla_2 2   7.5440   0.6774
1mn8A 1  43.2550   3.8839
1mn8A 2  20.1020   1.8050
1n0uA4 1  15.8440   1.4226
1n0uA4 2   5.9860   0.5375
1ne3A 1  11.9380   1.0719
1ne3A 2   7.4930   0.6728
1no5A 1  60.6220   5.4432
1no5A 2  19.8300   1.7805
1npsA 1  24.7230   2.2199
1npsA 2  10.0880   0.9058
1o2fB_ 1  27.5450   2.4733
1o2fB_ 2  12.1640   1.0922
1of9A 1   7.7890   0.6994
1of9A 2   4.7120   0.4231
1ogwA_ 1  13.9430   1.2519
1ogwA_ 2   6.4110   0.5756
1orgA 1  26.2530   2.3573
1orgA 2  12.1550   1.0914
1pgx_ 1  11.5670   1.0386
1pgx_ 2   6.9140   0.6208
1r69_ 1   7.9610   0.7148
1r69_ 2   4.8760   0.4378
1sfp_ 1  19.4630   1.7476
1sfp_ 2   9.4710   0.8504
1shfA 1  11.7950   1.0591
1shfA 2   7.4410   0.6681
1sro_ 1  15.0560   1.3519
1sro_ 2   4.4170   0.3966
1ten_ 1  25.6420   2.3024
1ten_ 2  10.6130   0.9529
1tfi_ 1   9.4750   0.8508
1tfi_ 2   5.6450   0.5069
1thx_ 1  33.9020   3.0441
1thx_ 2  11.6100   1.0425
1tif_ 1  12.0120   1.0786
1tif_ 2   7.6940   0.6908
1tig_ 1  48.3020   4.3370
1tig_ 2  21.5250   1.9327
1vcc_ 1  23.3900   2.1002
1vcc_ 2   9.7480   0.8753
256bA 1  20.2730   1.8203
256bA 2  11.1320   0.9995
2a0b_ 1  40.5440   3.6404
2a0b_ 2  21.7740   1.9551
2cr7A 1  11.2440   1.0096
2cr7A 2   4.9830   0.4474
2f3nA 1  13.3740   1.2008
2f3nA 2   5.2350   0.4700
2pcy_ 1  48.5580   4.3600
2pcy_ 2  13.4480   1.2075
2reb_2 1  13.1770   1.1832
2reb_2 2   8.3550   0.7502
1 GPU 119.909505405405
2 GPU 54.6528900900901

avx_all_atom_rmsd_times
         1thread  2threads 4threads 8threads
 1abv_   62.959   37.022   21.653   17.766 
 1af7_   50.456   28.212   17.332   12.906 
 1ah9_  215.845  108.495   73.647   52.079 
 1aoy_  317.525  167.739  101.538   76.032 
 1b4bA   45.378   24.371   13.608   10.827 
 1b72A   39.680   19.841   13.448    9.425 
 1bm8_  160.541   96.151   56.297   51.908 
 1bq9A   98.605   53.442   34.062   23.129 
 1cewI  197.859   96.034   56.492   51.852 
 1cqkA  166.784   90.593   56.389   55.548 
 1csp_   57.171   25.639   15.937   10.803 
 1cy5A  376.560  232.336  128.749  116.603 
1dcjA_  152.574   67.769   41.732   31.171 
1di2A_  126.942   59.608   40.428   29.865 
1dtjA_  133.713   63.216   42.496   30.025 
 1egxA  203.616  100.210   58.252   57.341 
 1fadA   57.874   37.002   20.326   16.466 
 1fo5A  139.466   74.148   47.683   37.927 
 1g1cA  162.432   94.852   53.503   45.654 
 1gjxA   46.593   26.380   16.529   11.526 
 1gnuA  147.980   82.841   50.859   44.759 
 1gpt_  230.326  113.921   77.768   53.149 
 1gyvA   59.408   34.792   19.419   19.321 
 1hbkA  149.563   76.671   53.373   44.279 
 1itpA   44.251   22.693   15.802   10.810 
 1jnuA  167.441  100.486   59.110   51.841 
 1kjs_  124.937   69.635   41.379   31.424 
 1kviA  109.168   53.908   36.083   29.381 
1mkyA3   60.109   31.464   18.986   15.482 
1mla_2   41.765   23.012   14.626   10.483 
 1mn8A   55.810   28.607   18.302   16.268 
1n0uA4   44.156   23.395   15.405   10.528 
 1ne3A   40.982   23.370   13.840    9.381 
 1no5A   60.052   34.887   20.852   17.830 
 1npsA  137.622   79.450   47.700   39.220 
1o2fB_   46.817   23.445   16.336   11.287 
 1of9A  121.027   58.814   41.253   29.429 
1ogwA_  124.408   64.822   38.329   27.996 
 1orgA  171.008  100.012   58.807   54.069 
 1pgx_  108.647   53.090   36.619   24.997 
 1r69_   89.500   52.228   32.812   23.500 
 1sfp_  162.564   27.271   14.646   10.847 
 1shfA  101.086   59.494   37.499   24.831 
 1sro_  116.385   67.914   42.324   28.510 
 1ten_  143.277   82.971   49.027   40.000 
 1tfi_  244.180  130.462   81.660   59.112 
 1thx_  414.367  251.980  146.516  153.956 
 1tif_   39.814   27.208   13.836    9.801 
 1tig_   55.218   28.049   19.662   16.255 
 1vcc_  132.471   66.821   46.839   28.822 
 256bA  160.278   98.002   57.070   46.409 
 2a0b_  434.697  268.797  153.952  140.443 
 2cr7A   38.893   21.889   12.708    8.454 
 2f3nA  108.456   55.272   38.577   27.111 
 2pcy_  142.890   77.861   52.651   42.410 
2reb_2   40.032   20.990   14.552    8.617 
130.038555  70.349709  43.201405  35.176225

avx_hierarchical_total_times
         1thread  2threads 4threads 8threads
 1abv_   31.650   15.630    8.570    5.790 
 1af7_   26.810   13.430    7.450    5.620 
 1ah9_  101.080   54.210   30.130   22.570 
 1aoy_  113.140   77.320   43.080   30.530 
 1b4bA   25.280   13.020    7.230    5.730 
 1b72A   23.390   12.370    6.800    4.910 
 1bm8_   71.830   35.400   19.560   13.150 
 1bq9A   55.140   28.330   15.930   11.000 
 1cewI   73.310   37.180   20.270   13.820 
 1cqkA   75.650   36.250   19.980   13.690 
 1csp_   25.760   13.530    7.430    5.010 
 1cy5A  120.998   81.130   44.840   33.310 
1dcjA_   61.870   31.510   17.510   12.900 
1di2A_   60.650   30.640   17.120   13.110 
1dtjA_   62.740   32.090   17.650   13.180 
 1egxA   73.710   37.250   21.030   14.840 
 1fadA   30.780   15.370    8.300    5.840 
 1fo5A   66.090   33.230   18.650   13.550 
 1g1cA   72.850   36.250   19.710   14.920 
 1gjxA   26.560   13.630    7.490    5.870 
 1gnuA   64.470   30.430   16.700   12.390 
 1gpt_  126.550   66.410   37.190   27.610 
 1gyvA   28.160   14.270    7.820    5.390 
 1hbkA   69.050   35.350   19.010   13.720 
 1itpA   26.160   13.580    7.460    5.710 
 1jnuA   70.290   36.870   19.950   14.300 
 1kjs_   61.430   31.760   17.480   13.100 
 1kviA   58.510   29.740   16.380   11.630 
1mkyA3   30.850   14.900    8.130    6.040 
1mla_2   26.210   13.250    7.290    5.080 
 1mn8A   30.110   14.640    8.020    5.480 
1n0uA4   26.120   13.350    7.460    5.290 
 1ne3A   25.190   13.080    7.210    4.920 
 1no5A   31.000   14.860    8.290    5.880 
 1npsA   63.300   32.830   18.070   13.670 
1o2fB_   26.680   13.590    7.490    6.090 
 1of9A   57.880   29.980   16.720   11.830 
1ogwA_   57.080   29.030   16.210   12.740 
 1orgA   73.230   36.290   20.060   15.620 
 1pgx_   59.520   31.070   17.080   12.600 
 1r69_   50.430   26.880   14.800   10.090 
 1sfp_   74.300   37.860   20.840   16.270 
 1shfA   56.380   29.990   16.530   11.700 
 1sro_   61.700   31.820   17.540   12.680 
 1ten_   71.350   34.740   19.040   13.370 
 1tfi_  104.598   71.320   40.220   30.360 
 1thx_  128.264   88.790   48.290   36.760 
 1tif_   24.110   12.390    6.960    5.680 
 1tig_   30.980   14.950    8.190    5.870 
 1vcc_   65.650   32.360   17.870   13.190 
 256bA   76.450   39.160   20.710   14.730 
 2a0b_  125.010   87.710   48.200   37.720 
 2cr7A   23.820   12.290    6.720    5.240 
 2f3nA   58.410   30.010   16.380   13.260 
 2pcy_   73.830   35.680   19.630   13.470 
2reb_2   24.820   12.790    7.100    4.820 
mean 58.235341  31.460536  17.353036  12.743571

avx_CA_rmsd_times
         1thread  2threads 4threads 8threads
 1abv_   18.460    9.376    4.975    3.185 
 1af7_   16.141    8.281    4.367    2.812 
 1ah9_   75.016   38.857   20.481   12.793 
 1aoy_  112.544   56.786   29.925   18.986 
 1b4bA   15.603    7.976    4.234    2.695 
 1b72A   15.170    7.761    4.126    2.654 
 1bm8_   47.980   24.178   12.867    8.167 
 1bq9A   39.019   19.801   10.464    6.710 
 1cewI   51.270   25.316   13.387    8.553 
 1cqkA   51.810   25.478   13.383    8.625 
 1csp_   16.333    8.373    4.409    2.834 
 1cy5A  119.825   58.572   31.135   21.948 
1dcjA_   43.752   22.061   11.647    7.457 
1di2A_   42.520   21.140   11.151    7.240 
1dtjA_   44.978   22.315   11.816    7.807 
 1egxA   50.786   25.746   13.743    9.277 
 1fadA   18.264    9.332    4.905    3.159 
 1fo5A   46.533   23.136   12.210    8.295 
 1g1cA   50.185   25.355   13.101    9.735 
 1gjxA   16.857    8.480    4.488    3.023 
 1gnuA   41.118   20.223   10.718    7.335 
 1gpt_   95.653   48.053   25.431   17.310 
 1gyvA   16.753    8.308    4.349    2.871 
 1hbkA   45.952   23.351   12.431    8.573 
 1itpA   16.085    8.262    4.379    2.820 
 1jnuA   48.301   24.629   13.085    9.066 
 1kjs_   43.163   21.843   11.490    8.144 
 1kviA   41.147   20.739   10.893    7.232 
1mkyA3   18.310    9.248    4.875    3.433 
1mla_2   15.892    8.135    4.294    2.838 
 1mn8A   17.475    8.840    4.674    3.014 
1n0uA4   16.296    8.372    4.405    2.847 
 1ne3A   16.193    8.311    4.408    2.811 
 1no5A   17.554    8.976    4.746    3.044 
 1npsA   43.799   22.301   11.703    7.617 
1o2fB_   16.542    8.452    4.452    3.200 
 1of9A   40.164   20.433   10.854    6.958 
1ogwA_   39.549   20.147   10.597    7.362 
 1orgA   47.994   24.916   13.087    9.660 
 1pgx_   42.696   21.872   11.439    7.272 
 1r69_   34.278   18.038    9.475    5.888 
 1sfp_   52.279   26.574   13.816    9.021 
 1shfA   39.596   20.538   10.799    7.100 
 1sro_   43.133   22.005   11.561    7.381 
 1ten_   48.597   24.637   12.793    8.385 
 1tfi_  103.955   52.339   27.742   18.786 
 1thx_  124.707   63.042   33.260   24.283 
 1tif_   15.070    7.766    4.119    3.052 
 1tig_   18.416    9.146    4.771    3.089 
 1vcc_   44.587   22.383   11.773    8.441 
 256bA   53.373   27.551   13.971    9.354 
 2a0b_  125.010   62.245   32.821   23.833 
 2cr7A   14.546    7.548    3.982    2.542 
 2f3nA   41.116   21.075   10.930    7.882 
 2pcy_   49.716   24.987   13.133    8.413 
2reb_2   15.591    8.012    4.221    2.694 
42.815243  21.636002  11.398032   7.669732

clusco_cpu_all_atom_rmsd_times

         1thread  2threads 4threads 8threads
 1abv_  316.270  164.777   87.487   85.962 
 1af7_  242.710  124.660   65.451   64.595 
 1ah9_  984.212  507.492  310.699  328.558 
 1aoy_ 1390.660  705.732  435.856  477.916 
 1b4bA  213.349  109.635   58.731   73.942 
 1b72A  174.398   88.385   47.372   58.691 
 1bm8_  837.259  425.406  276.839  292.508 
 1bq9A  439.489  228.057  120.037  151.426 
 1cewI  872.930  440.864  234.508  301.853 
 1cqkA  826.163  425.868  227.367  291.560 
 1csp_  214.011  109.470   57.684   72.046 
 1cy5A 1895.810  955.952  548.338  655.355 
1dcjA_  597.840  302.924  162.610  202.176 
1di2A_  562.273  287.524  153.296  190.668 
1dtjA_  582.850  300.376  163.985  197.884 
 1egxA  898.794  464.776  301.016  316.553 
 1fadA  293.373  149.088   79.435   96.478 
 1fo5A  681.197  343.703  218.160  230.169 
 1g1cA  798.398  413.081  219.125  278.620 
 1gjxA  228.858  116.673   61.931   73.976 
 1gnuA  782.292  395.636  209.785  237.568 
 1gpt_  971.510  492.555  300.846  318.906 
 1gyvA  310.779  159.342   98.689   93.622 
 1hbkA  767.681  396.506  260.307  243.154 
 1itpA  213.300  110.211   64.000   58.629 
 1jnuA  873.232  442.115  293.024  298.062 
 1kjs_  595.946  312.683  181.594  198.814 
 1kviA  506.464  261.053  148.618  164.204 
1mkyA3  270.582  141.020   73.699   84.968 
1mla_2  195.666   98.900   52.915   55.683 
 1mn8A  279.069  142.676   82.423   92.427 
1n0uA4  207.988  105.043   56.029   62.032 
 1ne3A  181.243   92.307   48.893   55.683 
 1no5A  309.251  157.966   94.255  101.365 
 1npsA  676.447  347.277  222.283  231.429 
1o2fB_  226.923  115.442   61.069   67.916 
 1of9A  577.075  293.981  156.492  192.430 
1ogwA_  541.397  283.864  167.609  182.069 
 1orgA  910.211  465.590  286.285  309.716 
 1pgx_  487.456  247.009  131.354  160.889 
 1r69_  435.644  225.299  124.614  144.461 
 1sfp_  892.234  459.460  284.337  311.085 
 1shfA  501.387  257.310  143.135  166.243 
 1sro_  576.842  296.438  177.816  186.556 
 1ten_  701.714  362.645  191.754  236.701 
 1tfi_ 1026.980  526.845  279.220  346.312 
 1thx_ 2191.530 1130.220  725.594  773.150 
 1tif_  193.018   99.677   52.570   56.130 
 1tig_  284.171  143.465   78.683   82.240 
 1vcc_  650.406  335.750  197.659  217.622 
 256bA  851.258  435.254  252.613  280.117 
 2a0b_ 2394.400 1226.460  764.835  834.084 
 2cr7A  187.906   95.510   50.514   57.951 
 2f3nA  531.798  271.917  156.611  177.756 
 2pcy_  749.238  385.320  247.699  262.018 
2reb_2  195.036   98.859   52.657   60.704 
mean 630.337821  322.786587  189.292982  211.493400

clusco_cpu_CA_rmsd_times
         1thread  2threads 4threads 8threads
 1abv_   52.898   27.259   14.390   13.261 
 1af7_   41.254   21.027   11.132    9.985 
 1ah9_  179.533   92.151   48.767   48.717 
 1aoy_  255.584  129.208   69.278   67.999 
 1b4bA   39.532   20.166   10.746    9.347 
 1b72A   31.613   16.189    8.548    7.586 
 1bm8_  133.070   67.901   35.825   33.829 
 1bq9A   85.955   44.065   23.276   20.128 
 1cewI  139.948   71.165   38.092   38.476 
 1cqkA  135.577   69.788   36.989   36.270 
 1csp_   39.320   20.162   10.626    9.139 
 1cy5A  306.183  158.044   83.449   89.117 
1dcjA_  105.724   54.605   28.889   26.016 
1di2A_  101.846   51.548   27.555   25.024 
1dtjA_  108.482   54.794   29.265   26.754 
 1egxA  146.273   75.677   40.044   38.934 
 1fadA   49.132   25.104   13.293   12.126 
 1fo5A  118.855   60.725   32.072   29.013 
 1g1cA  132.326   67.995   36.034   33.226 
 1gjxA   43.058   22.165   11.699   10.699 
 1gnuA  116.478   59.616   31.644   30.744 
 1gpt_  201.742  103.032   54.484   52.335 
 1gyvA   49.818   25.365   13.377   12.440 
 1hbkA  121.873   61.710   32.949   29.876 
 1itpA   39.874   20.459   10.775    9.573 
 1jnuA  136.175   69.416   37.139   34.718 
 1kjs_  107.531   54.997   29.079   26.079 
 1kviA   95.870   48.964   25.846   23.260 
1mkyA3   45.630   23.457   12.330   11.246 
1mla_2   39.898   20.496   10.813    9.859 
 1mn8A   46.097   23.585   12.457   11.474 
1n0uA4   39.006   20.166   10.621    9.388 
 1ne3A   36.308   18.608    9.833    8.554 
 1no5A   48.893   24.989   13.231   12.092 
 1npsA  120.264   61.202   32.431   30.014 
1o2fB_   42.796   22.035   11.649   10.430 
 1of9A  105.765   53.541   28.489   28.654 
1ogwA_   97.271   49.877   26.338   23.586 
 1orgA  146.462   74.827   39.847   38.565 
 1pgx_   94.507   48.368   25.566   22.432 
 1r69_   81.801   41.672   22.258   19.802 
 1sfp_  147.173   75.719   39.745   37.873 
 1shfA   91.198   46.579   24.823   21.533 
 1sro_  105.301   53.894   28.499   24.749 
 1ten_  123.596   63.367   33.448   30.379 
 1tfi_  212.164  108.617   57.507   53.135 
 1thx_  358.117  183.667   99.962  104.308 
 1tif_   35.355   18.281    9.638    8.220 
 1tig_   47.651   24.569   12.951   11.709 
 1vcc_  110.823   56.877   29.953   26.042 
 256bA  143.236   72.811   38.663   39.251 
 2a0b_  372.145  193.856  108.202  113.944 
 2cr7A   34.319   17.575    9.285    7.855 
 2f3nA   93.245   47.753   25.228   22.715 
 2pcy_  132.026   68.154   35.911   33.094 
2reb_2   36.294   18.634    9.824    8.644 
mean 108.979761  55.829845  29.727914  28.289668

clusco_gpu_all_atom_rmsd_times
 1abv_   48.027
 1af7_   35.480
 1ah9_  149.005
 1aoy_  196.070
 1b4bA   31.800
 1b72A   24.389
 1bm8_  126.578
 1bq9A   62.612
 1cewI  137.669
 1cqkA  136.358
 1csp_   31.035
 1cy5A  281.035
1dcjA_   88.640
1di2A_  332.325
1dtjA_   86.566
 1egxA  142.013
 1fadA   44.470
 1fo5A  101.785
 1g1cA  122.991
 1gjxA   33.495
 1gnuA  120.883
 1gpt_  133.788
 1gyvA   46.662
 1hbkA  121.014
 1itpA   31.124
 1jnuA  133.785
 1kjs_   88.329
 1kviA   74.087
1mkyA3   40.059
1mla_2   28.050
 1mn8A   38.463
1n0uA4   29.763
 1ne3A   25.022
 1no5A   46.693
 1npsA  103.739
1o2fB_   33.308
 1of9A   85.845
1ogwA_   81.115
 1orgA  132.971
 1pgx_   59.114
 1r69_   63.972
 1sfp_  142.102
 1shfA   73.924
 1sro_   84.330
 1ten_   90.796
 1tfi_  142.808
 1thx_  339.271
 1tif_   27.671
 1tig_   41.843
 1vcc_   99.290
 256bA  132.437
 2a0b_  400.839
 2cr7A   56.911
 2f3nA  106.490
 2pcy_  145.297
2reb_2   57.823
mean 101.285064


clusco_gpu_CA_rmsd_times

 1abv_    5.574
 1af7_    3.679
 1ah9_   15.827
 1aoy_   22.069
 1b4bA    3.932
 1b72A    2.663
 1bm8_   13.743
 1bq9A    7.116
 1cewI   14.537
 1cqkA   13.876
 1csp_    3.692
 1cy5A   30.118
1dcjA_    9.832
1di2A_    9.250
1dtjA_    9.710
 1egxA   15.834
 1fadA    4.921
 1fo5A   13.220
 1g1cA   13.219
 1gjxA    4.254
 1gnuA   12.454
 1gpt_   15.746
 1gyvA    5.426
 1hbkA   12.216
 1itpA    3.542
 1jnuA   13.388
 1kjs_    9.713
 1kviA    8.276
1mkyA3    4.424
1mla_2    3.759
 1mn8A    4.700
1n0uA4    3.572
 1ne3A    2.768
 1no5A    5.003
 1npsA   11.817
1o2fB_    4.092
 1of9A   10.172
1ogwA_    8.490
 1orgA   15.979
 1pgx_    7.928
 1r69_    7.036
 1sfp_   15.316
 1shfA    7.869
 1sro_    9.699
 1ten_   12.314
 1tfi_   16.055
 1thx_   37.373
 1tif_    3.104
 1tig_    4.646
 1vcc_    9.929
 256bA   14.727
 2a0b_   40.768
 2cr7A    2.899
 2f3nA    8.092
 2pcy_   13.389
2reb_2    3.073
mean 10.478984
:

clusco_kmeans_partition_times

         1thread  2threads 4threads 8threads 
 1abv_   15.023    8.331    4.939    3.870 
 1af7_   18.259    9.929    5.765    4.486 
 1ah9_  121.158   65.600   38.485   35.031 
 1aoy_  175.137   93.821   55.276   49.688 
 1b4bA   11.867    6.629    4.037    3.199 
 1b72A   14.608    8.020    4.740    3.781 
 1bm8_   47.592   25.790   15.453   13.841 
 1bq9A   43.482   23.845   14.317   12.502 
 1cewI   54.203   29.832   17.265   14.344 
 1cqkA   75.170   40.342   23.154   20.183 
 1csp_   21.506   11.591    6.638    5.169 
 1cy5A  213.938  114.592   78.630   59.188 
1dcjA_   35.577   19.993   12.312   10.233 
1di2A_   63.382   33.966   19.622   17.352 
1dtjA_  103.826   54.413   34.640   30.309 
 1egxA   54.819   30.292   17.599   15.861 
 1fadA    4.256    2.726    1.973    1.741 
 1fo5A   43.510   23.750   14.315   13.091 
 1g1cA   63.213   34.275   19.873   19.224 
 1gjxA   11.989    6.758    4.093    3.374 
 1gnuA   98.476   51.446   29.458   26.860 
 1gpt_  231.906  123.758   81.447   65.903 
 1gyvA   19.562   10.536    6.019    4.560 
 1hbkA  103.716   54.736   30.826   27.493 
 1itpA    7.410    4.345    2.811    2.345 
 1jnuA  130.083   68.234   40.357   35.638 
 1kjs_   43.477   23.876   14.284   11.733 
 1kviA   54.865   29.689   17.239   15.014 
1mkyA3   18.377    9.993    5.789    4.560 
1mla_2   32.318   17.238    9.623    7.373 
 1mn8A   19.922   10.807    6.247    4.819 
1n0uA4   35.743   18.918   10.585    7.926 
 1ne3A   27.761   14.797    8.373    6.508 
 1no5A   29.304   15.575    8.783    7.333 
 1npsA   71.834   38.583   22.239   20.509 
1o2fB_   15.036    8.282    4.902    3.908 
 1of9A   76.793   40.887   23.479   21.325 
1ogwA_   10.466    6.933    5.163    4.520 
 1orgA   38.804   21.505   13.069   11.664 
 1pgx_   55.703   30.250   17.848   16.071 
 1r69_   58.977   31.993   18.278   16.528 
 1sfp_   87.519   46.689   29.565   24.413 
 1shfA   35.325   19.755   12.090   10.258 
 1sro_  191.846  100.265   65.039   52.269 
 1ten_  133.930   71.544   40.845   35.981 
 1tfi_  195.590  104.983   68.398   54.343 
 1thx_  328.916  173.244  118.852   89.210 
 1tif_   10.308    5.871    3.610    2.906 
 1tig_   13.565    7.541    4.497    3.669 
 1vcc_   39.519   21.983   13.156   11.099 
 256bA   19.476   11.469    7.775    7.130 
 2a0b_  244.773  129.664   83.419   66.709 
 2cr7A   12.726    6.969    4.235    3.310 
 2f3nA  104.225   54.984   30.662   27.628 
 2pcy_   11.264    7.481    5.602    5.119 
2reb_2   24.241   12.998    7.418    5.591 
mean 68.326261  36.648464  22.591163  18.905207

clusco_cpu_CA_rmsd_times

         1thread  2threads 4threads 8threads
 1abv_   52.898   27.259   14.390   13.261 
 1af7_   41.254   21.027   11.132    9.985 
 1ah9_  179.533   92.151   48.767   48.717 
 1aoy_  255.584  129.208   69.278   67.999 
 1b4bA   39.532   20.166   10.746    9.347 
 1b72A   31.613   16.189    8.548    7.586 
 1bm8_  133.070   67.901   35.825   33.829 
 1bq9A   85.955   44.065   23.276   20.128 
 1cewI  139.948   71.165   38.092   38.476 
 1cqkA  135.577   69.788   36.989   36.270 
 1csp_   39.320   20.162   10.626    9.139 
 1cy5A  306.183  158.044   83.449   89.117 
1dcjA_  105.724   54.605   28.889   26.016 
1di2A_  101.846   51.548   27.555   25.024 
1dtjA_  108.482   54.794   29.265   26.754 
 1egxA  146.273   75.677   40.044   38.934 
 1fadA   49.132   25.104   13.293   12.126 
 1fo5A  118.855   60.725   32.072   29.013 
 1g1cA  132.326   67.995   36.034   33.226 
 1gjxA   43.058   22.165   11.699   10.699 
 1gnuA  116.478   59.616   31.644   30.744 
 1gpt_  201.742  103.032   54.484   52.335 
 1gyvA   49.818   25.365   13.377   12.440 
 1hbkA  121.873   61.710   32.949   29.876 
 1itpA   39.874   20.459   10.775    9.573 
 1jnuA  136.175   69.416   37.139   34.718 
 1kjs_  107.531   54.997   29.079   26.079 
 1kviA   95.870   48.964   25.846   23.260 
1mkyA3   45.630   23.457   12.330   11.246 
1mla_2   39.898   20.496   10.813    9.859 
 1mn8A   46.097   23.585   12.457   11.474 
1n0uA4   39.006   20.166   10.621    9.388 
 1ne3A   36.308   18.608    9.833    8.554 
 1no5A   48.893   24.989   13.231   12.092 
 1npsA  120.264   61.202   32.431   30.014 
1o2fB_   42.796   22.035   11.649   10.430 
 1of9A  105.765   53.541   28.489   28.654 
1ogwA_   97.271   49.877   26.338   23.586 
 1orgA  146.462   74.827   39.847   38.565 
 1pgx_   94.507   48.368   25.566   22.432 
 1r69_   81.801   41.672   22.258   19.802 
 1sfp_  147.173   75.719   39.745   37.873 
 1shfA   91.198   46.579   24.823   21.533 
 1sro_  105.301   53.894   28.499   24.749 
 1ten_  123.596   63.367   33.448   30.379 
 1tfi_  212.164  108.617   57.507   53.135 
 1thx_  358.117  183.667   99.962  104.308 
 1tif_   35.355   18.281    9.638    8.220 
 1tig_   47.651   24.569   12.951   11.709 
 1vcc_  110.823   56.877   29.953   26.042 
 256bA  143.236   72.811   38.663   39.251 
 2a0b_  372.145  193.856  108.202  113.944 
 2cr7A   34.319   17.575    9.285    7.855 
 2f3nA   93.245   47.753   25.228   22.715 
 2pcy_  132.026   68.154   35.911   33.094 
2reb_2   36.294   18.634    9.824    8.644 
mean 108.979761  55.829845  29.727914  28.289668

clusco_cpu_total_times

         1thread  2threads 4threads 8threads 
 1abv_   72.320   46.290   29.890   27.480 
 1af7_   68.610   40.130   25.880   23.770 
 1ah9_  320.070  176.960  106.850  104.580 
 1aoy_  453.060  246.040  147.730  141.670 
 1b4bA   60.240   35.630   23.630   21.290 
 1b72A   53.920   31.800   21.170   19.180 
 1bm8_  197.770  110.770   68.430   65.110 
 1bq9A  142.440   80.700   50.460   46.020 
 1cewI  211.960  118.900   72.950   70.990 
 1cqkA  227.870  127.230   77.390   73.990 
 1csp_   69.540   40.520   26.010   23.310 
 1cy5A  546.500  298.980  189.360  175.500 
1dcjA_  156.110   89.200   55.990   51.390 
1di2A_  179.420   99.950   61.380   57.100 
1dtjA_  226.510  123.640   78.760   72.140 
 1egxA  219.930  125.660   77.690   74.650 
 1fadA   63.370   37.940   24.670   24.040 
 1fo5A  178.240  100.270   62.310   58.050 
 1g1cA  212.630  119.440   73.020   70.030 
 1gjxA   63.920   37.720   24.670   23.010 
 1gnuA  231.840  128.300   79.110   75.710 
 1gpt_  453.890  247.020  156.950  138.200 
 1gyvA   80.510   47.020   30.520   28.170 
 1hbkA  242.280  133.180   80.470   74.660 
 1itpA   55.850   33.610   22.470   20.650 
 1jnuA  284.030  155.560   95.800   88.560 
 1kjs_  165.990   93.730   58.180   52.970 
 1kviA  164.240   92.390   56.530   52.160 
1mkyA3   73.940   43.140   27.930   25.700 
1mla_2   80.780   46.110   28.870   25.930 
 1mn8A   76.010   44.340   28.620   26.260 
1n0uA4   83.460   47.680   29.810   26.130 
 1ne3A   72.120   41.570   26.280   23.780 
 1no5A   88.690   50.920   32.480   30.210 
 1npsA  208.010  115.490   70.600   66.900 
1o2fB_   66.520   39.310   25.450   23.330 
 1of9A  197.110  108.650   66.560   64.580 
1ogwA_  121.670   70.930   45.780   42.410 
 1orgA  204.270  115.860   73.520   71.000 
 1pgx_  163.490   92.080   56.740   52.470 
 1r69_  153.600   86.470   52.670   49.270 
 1sfp_  253.020  140.490   87.700   80.800 
 1shfA  140.410   80.090   50.520   45.930 
 1sro_  311.710  168.670  108.100   91.840 
 1ten_  273.600  151.230   90.800   82.830 
 1tfi_  428.470  233.890  147.860  128.880 
 1thx_  715.930  385.910  248.130  223.990 
 1tif_   53.810   32.460   21.600   19.540 
 1tig_   71.170   41.950   27.360   25.340 
 1vcc_  166.080   94.860   58.900   53.360 
 256bA  180.140  101.670   63.940   64.100 
 2a0b_  648.720  354.190  223.560  212.550 
 2cr7A   55.090   32.640   21.680   19.280 
 2f3nA  211.490  116.460   69.850   64.570 
 2pcy_  159.670   92.370   58.320   54.980 
2reb_2   68.850   39.830   25.630   22.610 
191.623036  106.925714  66.920179  62.016964

tmscore_times

1abv_ x 1 90.2108
1abv_ x 2 47.2252
1abv_ x 4 33.3099
1abv_ x 8 26.5359
1abv_ c 1 156.4890
1abv_ c 2 81.6834
1abv_ c 4 43.5088
1abv_ c 8 50.4546
1abv_ 3 1 101.7306
1abv_ 3 2 53.8329
1abv_ 3 4 35.1203
1abv_ 3 8 24.1845
1af7_ x 1 38.9828
1af7_ x 2 20.5641
1af7_ x 4 14.4816
1af7_ x 8 11.4450
1af7_ c 1 62.0691
1af7_ c 2 32.6174
1af7_ c 4 22.8857
1af7_ c 8 19.8175
1af7_ 3 1 40.1832
1af7_ 3 2 21.5805
1af7_ 3 4 15.0587
1af7_ 3 8 11.9263
1ah9_ x 1 34.7521
1ah9_ x 2 18.2102
1ah9_ x 4 12.9378
1ah9_ x 8 10.2443
1ah9_ c 1 52.7329
1ah9_ c 2 27.5975
1ah9_ c 4 19.4631
1ah9_ c 8 16.7965
1ah9_ 3 1 38.7816
1ah9_ 3 2 20.5557
1ah9_ 3 4 14.4173
1ah9_ 3 8 11.0486
1aoy_ x 1 26.4516
1aoy_ x 2 13.7296
1aoy_ x 4 9.7836
1aoy_ x 8 7.8110
1aoy_ c 1 40.4373
1aoy_ c 2 21.0966
1aoy_ c 4 15.0342
1aoy_ c 8 12.9083
1aoy_ 3 1 27.7647
1aoy_ 3 2 14.7521
1aoy_ 3 4 10.4476
1aoy_ 3 8 8.1288
1b4bA x 1 43.7363
1b4bA x 2 23.0619
1b4bA x 4 12.4821
1b4bA x 8 12.0701
1b4bA c 1 68.9859
1b4bA c 2 36.0054
1b4bA c 4 23.0450
1b4bA c 8 22.0154
1b4bA 3 1 49.1363
1b4bA 3 2 26.1247
1b4bA 3 4 14.0090
1b4bA 3 8 10.7404
1b72A x 1 21.7444
1b72A x 2 11.4896
1b72A x 4 8.1864
1b72A x 8 6.4249
1b72A c 1 30.8911
1b72A c 2 16.2360
1b72A c 4 8.7667
1b72A c 8 9.8154
1b72A 3 1 22.6651
1b72A 3 2 12.0486
1b72A 3 4 7.3846
1b72A 3 8 6.5722
1bm8_ x 1 76.2048
1bm8_ x 2 39.9944
1bm8_ x 4 26.3819
1bm8_ x 8 21.5523
1bm8_ c 1 130.7126
1bm8_ c 2 68.3429
1bm8_ c 4 48.1440
1bm8_ c 8 42.1765
1bm8_ 3 1 85.6699
1bm8_ 3 2 45.1348
1bm8_ 3 4 24.2609
1bm8_ 3 8 18.6797
1bq9A x 1 27.2095
1bq9A x 2 14.3919
1bq9A x 4 10.1919
1bq9A x 8 8.0080
1bq9A c 1 39.2685
1bq9A c 2 20.7256
1bq9A c 4 14.6759
1bq9A c 8 12.4546
1bq9A 3 1 28.9200
1bq9A 3 2 15.2445
1bq9A 3 4 10.6673
1bq9A 3 8 8.2881
1cewI x 1 75.4513
1cewI x 2 39.3817
1cewI x 4 27.8779
1cewI x 8 22.6647
1cewI c 1 131.7797
1cewI c 2 68.1805
1cewI c 4 48.2895
1cewI c 8 42.6493
1cewI 3 1 81.3330
1cewI 3 2 42.8651
1cewI 3 4 30.2769
1cewI 3 8 18.7551
1cqkA x 1 74.5824
1cqkA x 2 38.9623
1cqkA x 4 22.7897
1cqkA x 8 22.2602
1cqkA c 1 128.1996
1cqkA c 2 66.7893
1cqkA c 4 45.2133
1cqkA c 8 41.4250
1cqkA 3 1 82.2164
1cqkA 3 2 43.0877
1cqkA 3 4 23.2270
1cqkA 3 8 19.6494
1csp_ x 1 29.6573
1csp_ x 2 15.4611
1csp_ x 4 10.9824
1csp_ x 8 8.7729
1csp_ c 1 46.0333
1csp_ c 2 23.9190
1csp_ c 4 16.9240
1csp_ c 8 14.7201
1csp_ 3 1 33.4570
1csp_ 3 2 17.5525
1csp_ 3 4 12.3699
1csp_ 3 8 9.5016
1cy5A x 1 46.7794
1cy5A x 2 24.4217
1cy5A x 4 17.2943
1cy5A x 8 13.9963
1cy5A c 1 78.7016
1cy5A c 2 41.0157
1cy5A c 4 29.0071
1cy5A c 8 25.5191
1cy5A 3 1 49.5963
1cy5A 3 2 26.1803
1cy5A 3 4 18.5008
1cy5A 3 8 14.5994
1dcjA_ x 1 32.6256
1dcjA_ x 2 16.9032
1dcjA_ x 4 9.2012
1dcjA_ x 8 9.5653
1dcjA_ c 1 51.0053
1dcjA_ c 2 26.6342
1dcjA_ c 4 18.8542
1dcjA_ c 8 16.2976
1dcjA_ 3 1 34.8514
1dcjA_ 3 2 18.2131
1dcjA_ 3 4 12.8845
1dcjA_ 3 8 10.0057
1di2A_ x 1 26.7525
1di2A_ x 2 14.0038
1di2A_ x 4 7.4964
1di2A_ x 8 7.9097
1di2A_ c 1 42.0941
1di2A_ c 2 21.8542
1di2A_ c 4 11.7234
1di2A_ c 8 13.3629
1di2A_ 3 1 28.8554
1di2A_ 3 2 15.2268
1di2A_ 3 4 8.1680
1di2A_ 3 8 8.4204
1dtjA_ x 1 33.7338
1dtjA_ x 2 17.5881
1dtjA_ x 4 12.4670
1dtjA_ x 8 7.6149
1dtjA_ c 1 54.1246
1dtjA_ c 2 28.0854
1dtjA_ c 4 15.0356
1dtjA_ c 8 17.2893
1dtjA_ 3 1 37.0303
1dtjA_ 3 2 19.5922
1dtjA_ 3 4 12.7020
1dtjA_ 3 8 8.2040
1egxA x 1 96.5299
1egxA x 2 50.2272
1egxA x 4 34.8214
1egxA x 8 28.9188
1egxA c 1 170.5093
1egxA c 2 87.8731
1egxA c 4 62.5367
1egxA c 8 45.5835
1egxA 3 1 111.7161
1egxA 3 2 58.0357
1egxA 3 4 31.2359
1egxA 3 8 32.0942
1fadA x 1 53.4981
1fadA x 2 27.8114
1fadA x 4 19.7047
1fadA x 8 15.1057
1fadA c 1 89.8482
1fadA c 2 46.6314
1fadA c 4 33.0052
1fadA c 8 29.1244
1fadA 3 1 57.2178
1fadA 3 2 29.8448
1fadA 3 4 21.1684
1fadA 3 8 12.6035
1fo5A x 1 49.6142
1fo5A x 2 25.8304
1fo5A x 4 18.1836
1fo5A x 8 14.5504
1fo5A c 1 81.1811
1fo5A c 2 42.1719
1fo5A c 4 29.9944
1fo5A c 8 26.0559
1fo5A 3 1 54.1247
1fo5A 3 2 28.3457
1fo5A 3 4 20.0538
1fo5A 3 8 15.6682
1g1cA x 1 64.7186
1g1cA x 2 33.6935
1g1cA x 4 20.4251
1g1cA x 8 16.0359
1g1cA c 1 110.1247
1g1cA c 2 57.2322
1g1cA c 4 40.5203
1g1cA c 8 35.3512
1g1cA 3 1 72.3873
1g1cA 3 2 37.9877
1g1cA 3 4 20.3001
1g1cA 3 8 20.8409
1gjxA x 1 45.6810
1gjxA x 2 24.0072
1gjxA x 4 17.1362
1gjxA x 8 13.3755
1gjxA c 1 72.6561
1gjxA c 2 37.9594
1gjxA c 4 26.8698
1gjxA c 8 23.1215
1gjxA 3 1 48.3230
1gjxA 3 2 25.5749
1gjxA 3 4 18.0911
1gjxA 3 8 14.0671
1gnuA x 1 121.0511
1gnuA x 2 63.2946
1gnuA x 4 44.6265
1gnuA x 8 36.0000
1gnuA c 1 215.1072
1gnuA c 2 112.1653
1gnuA c 4 62.6319
1gnuA c 8 52.8902
1gnuA 3 1 132.2627
1gnuA 3 2 70.0154
1gnuA 3 4 37.5141
1gnuA 3 8 36.5708
1gpt_ x 1 17.2829
1gpt_ x 2 9.1292
1gpt_ x 4 4.8860
1gpt_ x 8 3.8393
1gpt_ c 1 24.4394
1gpt_ c 2 12.8552
1gpt_ c 4 6.8860
1gpt_ c 8 7.7047
1gpt_ 3 1 19.4910
1gpt_ 3 2 10.3162
1gpt_ 3 4 5.5307
1gpt_ 3 8 4.2107
1gyvA x 1 88.5754
1gyvA x 2 46.4870
1gyvA x 4 33.1464
1gyvA x 8 26.7421
1gyvA c 1 158.9346
1gyvA c 2 82.5517
1gyvA c 4 44.3152
1gyvA c 8 38.8836
1gyvA 3 1 98.6396
1gyvA 3 2 51.9612
1gyvA 3 4 33.4346
1gyvA 3 8 28.3744
1hbkA x 1 69.0088
1hbkA x 2 36.4494
1hbkA x 4 19.5888
1hbkA x 8 20.6425
1hbkA c 1 116.1512
1hbkA c 2 60.6451
1hbkA c 4 42.0680
1hbkA c 8 37.6231
1hbkA 3 1 74.8440
1hbkA 3 2 39.6393
1hbkA 3 4 21.2764
1hbkA 3 8 22.0488
1itpA x 1 36.7623
1itpA x 2 19.4393
1itpA x 4 13.0295
1itpA x 8 10.7794
1itpA c 1 56.4606
1itpA c 2 29.8498
1itpA c 4 15.9323
1itpA c 8 18.0863
1itpA 3 1 37.3865
1itpA 3 2 20.0533
1itpA 3 4 10.6949
1itpA 3 8 11.0279
1jnuA x 1 70.5700
1jnuA x 2 36.7633
1jnuA x 4 26.1905
1jnuA x 8 20.9994
1jnuA c 1 122.5693
1jnuA c 2 63.8939
1jnuA c 4 45.2890
1jnuA c 8 31.1954
1jnuA 3 1 76.6166
1jnuA 3 2 40.2779
1jnuA 3 4 28.5261
1jnuA 3 8 20.2170
1kjs_ x 1 45.2544
1kjs_ x 2 23.6298
1kjs_ x 4 12.6463
1kjs_ x 8 12.5070
1kjs_ c 1 71.7917
1kjs_ c 2 37.5218
1kjs_ c 4 20.2267
1kjs_ c 8 23.1273
1kjs_ 3 1 48.9595
1kjs_ 3 2 25.9543
1kjs_ 3 4 14.0209
1kjs_ 3 8 10.7753
1kviA x 1 24.1341
1kviA x 2 12.6168
1kviA x 4 8.3634
1kviA x 8 7.1383
1kviA c 1 37.6163
1kviA c 2 19.6463
1kviA c 4 10.5635
1kviA c 8 12.0014
1kviA 3 1 25.1182
1kviA 3 2 13.3254
1kviA 3 4 7.0910
1kviA 3 8 7.3830
1mkyA3 x 1 73.6847
1mkyA3 x 2 38.4631
1mkyA3 x 4 22.5167
1mkyA3 x 8 21.1292
1mkyA3 c 1 118.0282
1mkyA3 c 2 61.9893
1mkyA3 c 4 43.9183
1mkyA3 c 8 37.9865
1mkyA3 3 1 78.2907
1mkyA3 3 2 41.3682
1mkyA3 3 4 22.1992
1mkyA3 3 8 17.3611
1mla_2 x 1 35.1335
1mla_2 x 2 18.3312
1mla_2 x 4 12.9849
1mla_2 x 8 10.3598
1mla_2 c 1 54.5683
1mla_2 c 2 28.6461
1mla_2 c 4 20.2546
1mla_2 c 8 17.4780
1mla_2 3 1 38.3188
1mla_2 3 2 20.1616
1mla_2 3 4 14.2433
1mla_2 3 8 11.0410
1mn8A x 1 59.9847
1mn8A x 2 31.3929
1mn8A x 4 16.7843
1mn8A x 8 16.5259
1mn8A c 1 96.8265
1mn8A c 2 51.0433
1mn8A c 4 32.0186
1mn8A c 8 31.1373
1mn8A 3 1 61.5349
1mn8A 3 2 32.5311
1mn8A 3 4 17.3726
1mn8A 3 8 13.6858
1n0uA4 x 1 27.5354
1n0uA4 x 2 14.3339
1n0uA4 x 4 9.9959
1n0uA4 x 8 8.1660
1n0uA4 c 1 42.7954
1n0uA4 c 2 22.4075
1n0uA4 c 4 12.0427
1n0uA4 c 8 13.6949
1n0uA4 3 1 29.7399
1n0uA4 3 2 15.6460
1n0uA4 3 4 8.3766
1n0uA4 3 8 8.5965
1ne3A x 1 28.4966
1ne3A x 2 15.0322
1ne3A x 4 10.6554
1ne3A x 8 8.2735
1ne3A c 1 41.5331
1ne3A c 2 21.8677
1ne3A c 4 15.4960
1ne3A c 8 13.1526
1ne3A 3 1 29.3098
1ne3A 3 2 15.4825
1ne3A 3 4 10.8835
1ne3A 3 8 8.4986
1no5A x 1 91.9101
1no5A x 2 48.0114
1no5A x 4 30.7379
1no5A x 8 27.4273
1no5A c 1 154.6353
1no5A c 2 80.5216
1no5A c 4 53.6324
1no5A c 8 50.0949
1no5A 3 1 100.2417
1no5A 3 2 52.7711
1no5A 3 4 28.1351
1no5A 3 8 22.5587
1npsA x 1 57.7471
1npsA x 2 29.7990
1npsA x 4 16.8173
1npsA x 8 16.4104
1npsA c 1 94.9926
1npsA c 2 49.6623
1npsA c 4 35.1089
1npsA c 8 30.5306
1npsA 3 1 60.9923
1npsA 3 2 32.0354
1npsA 3 4 17.1522
1npsA 3 8 13.6109
1o2fB_ x 1 44.6156
1o2fB_ x 2 22.4663
1o2fB_ x 4 15.8789
1o2fB_ x 8 12.4697
1o2fB_ c 1 68.0474
1o2fB_ c 2 35.5226
1o2fB_ c 4 25.1326
1o2fB_ c 8 21.7864
1o2fB_ 3 1 45.4789
1o2fB_ 3 2 23.8970
1o2fB_ 3 4 17.0151
1o2fB_ 3 8 13.1484
1of9A x 1 27.4700
1of9A x 2 13.8766
1of9A x 4 7.4278
1of9A x 8 7.9050
1of9A c 1 45.7845
1of9A c 2 22.4431
1of9A c 4 12.1695
1of9A c 8 13.9629
1of9A 3 1 31.0452
1of9A 3 2 15.7566
1of9A 3 4 8.4894
1of9A 3 8 8.7142
1ogwA_ x 1 32.0335
1ogwA_ x 2 15.3814
1ogwA_ x 4 9.8077
1ogwA_ x 8 8.7786
1ogwA_ c 1 48.8216
1ogwA_ c 2 24.7014
1ogwA_ c 4 13.2355
1ogwA_ c 8 15.0847
1ogwA_ 3 1 33.5332
1ogwA_ 3 2 16.4537
1ogwA_ 3 4 8.8091
1ogwA_ 3 8 9.1601
1orgA x 1 79.1810
1orgA x 2 40.8714
1orgA x 4 24.5366
1orgA x 8 23.6345
1orgA c 1 142.1855
1orgA c 2 72.8863
1orgA c 4 51.4792
1orgA c 8 40.3906
1orgA 3 1 90.5104
1orgA 3 2 46.9767
1orgA 3 4 25.3523
1orgA 3 8 22.8097
1pgx_ x 1 30.2351
1pgx_ x 2 15.6621
1pgx_ x 4 11.0771
1pgx_ x 8 8.7474
1pgx_ c 1 44.3446
1pgx_ c 2 23.2704
1pgx_ c 4 16.4352
1pgx_ c 8 14.1043
1pgx_ 3 1 33.6665
1pgx_ 3 2 17.7794
1pgx_ 3 4 12.4024
1pgx_ 3 8 9.4295
1r69_ x 1 19.8237
1r69_ x 2 10.2897
1r69_ x 4 5.5155
1r69_ x 8 5.8234
1r69_ c 1 30.1557
1r69_ c 2 15.6998
1r69_ c 4 11.1356
1r69_ c 8 9.5761
1r69_ 3 1 21.9423
1r69_ 3 2 11.4641
1r69_ 3 4 6.2311
1r69_ 3 8 6.3237
1sfp_ x 1 69.8637
1sfp_ x 2 36.1540
1sfp_ x 4 25.6801
1sfp_ x 8 19.9514
1sfp_ c 1 121.5913
1sfp_ c 2 63.0675
1sfp_ c 4 33.8179
1sfp_ c 8 37.9736
1sfp_ 3 1 81.8324
1sfp_ 3 2 42.4039
1sfp_ 3 4 23.9306
1sfp_ 3 8 17.6761
1shfA x 1 30.0690
1shfA x 2 15.6957
1shfA x 4 11.1707
1shfA x 8 8.7014
1shfA c 1 44.3445
1shfA c 2 23.0916
1shfA c 4 16.4451
1shfA c 8 14.0059
1shfA 3 1 33.1316
1shfA 3 2 17.6215
1shfA 3 4 12.4390
1shfA 3 8 9.3281
1sro_ x 1 33.8771
1sro_ x 2 17.8189
1sro_ x 4 9.5042
1sro_ x 8 9.9887
1sro_ c 1 53.1317
1sro_ c 2 27.8063
1sro_ c 4 19.6118
1sro_ c 8 16.9731
1sro_ 3 1 39.7138
1sro_ 3 2 20.1233
1sro_ 3 4 10.8788
1sro_ 3 8 10.8700
1ten_ x 1 54.2395
1ten_ x 2 28.2874
1ten_ x 4 19.6272
1ten_ x 8 15.1091
1ten_ c 1 89.2622
1ten_ c 2 46.5179
1ten_ c 4 25.0626
1ten_ c 8 28.5532
1ten_ 3 1 62.1282
1ten_ 3 2 32.7831
1ten_ 3 4 17.6023
1ten_ 3 8 13.4541
1tfi_ x 1 22.6228
1tfi_ x 2 11.8383
1tfi_ x 4 8.4121
1tfi_ x 8 6.5681
1tfi_ c 1 32.4179
1tfi_ c 2 16.6580
1tfi_ c 4 11.7644
1tfi_ c 8 9.9949
1tfi_ 3 1 25.2385
1tfi_ 3 2 13.3234
1tfi_ 3 4 9.3927
1tfi_ 3 8 7.0693
1thx_ x 1 71.7168
1thx_ x 2 37.1351
1thx_ x 4 19.8914
1thx_ x 8 20.8242
1thx_ c 1 123.9878
1thx_ c 2 64.6648
1thx_ c 4 45.3883
1thx_ c 8 40.3488
1thx_ 3 1 77.2998
1thx_ 3 2 40.5318
1thx_ 3 4 21.6130
1thx_ 3 8 17.2011
1tif_ x 1 28.7162
1tif_ x 2 15.0530
1tif_ x 4 9.7566
1tif_ x 8 8.3565
1tif_ c 1 41.9449
1tif_ c 2 22.1553
1tif_ c 4 11.8106
1tif_ c 8 13.3278
1tif_ 3 1 31.4848
1tif_ 3 2 16.9078
1tif_ 3 4 8.9729
1tif_ 3 8 8.9696
1tig_ x 1 79.0796
1tig_ x 2 41.7338
1tig_ x 4 29.5773
1tig_ x 8 23.5188
1tig_ c 1 132.1283
1tig_ c 2 69.3107
1tig_ c 4 49.0195
1tig_ c 8 41.0975
1tig_ 3 1 84.3342
1tig_ 3 2 44.3179
1tig_ 3 4 31.4111
1tig_ 3 8 19.9391
1vcc_ x 1 44.3130
1vcc_ x 2 23.1045
1vcc_ x 4 12.3978
1vcc_ x 8 12.7741
1vcc_ c 1 69.2205
1vcc_ c 2 36.3231
1vcc_ c 4 19.7101
1vcc_ c 8 22.2367
1vcc_ 3 1 45.0944
1vcc_ 3 2 23.8457
1vcc_ 3 4 12.8078
1vcc_ 3 8 13.1797
256bA x 1 62.9752
256bA x 2 32.7463
256bA x 4 23.0870
256bA x 8 18.8610
256bA c 1 109.0008
256bA c 2 56.7579
256bA c 4 30.3393
256bA c 8 35.3668
256bA 3 1 71.6365
256bA 3 2 37.6108
256bA 3 4 23.7010
256bA 3 8 20.7169
2a0b_ x 1 93.5162
2a0b_ x 2 48.5161
2a0b_ x 4 28.9234
2a0b_ x 8 28.0233
2a0b_ c 1 166.6806
2a0b_ c 2 86.2446
2a0b_ c 4 61.2688
2a0b_ c 8 46.6927
2a0b_ 3 1 107.9900
2a0b_ 3 2 55.4703
2a0b_ 3 4 29.7242
2a0b_ 3 8 28.8856
2cr7A x 1 30.5000
2cr7A x 2 15.9746
2cr7A x 4 11.2935
2cr7A x 8 8.9097
2cr7A c 1 45.6642
2cr7A c 2 23.8849
2cr7A c 4 16.9262
2cr7A c 8 14.4567
2cr7A 3 1 30.8540
2cr7A 3 2 16.4163
2cr7A 3 4 11.5621
2cr7A 3 8 9.1439
2f3nA x 1 23.6428
2f3nA x 2 12.3628
2f3nA x 4 8.7411
2f3nA x 8 5.2572
2f3nA c 1 36.2552
2f3nA c 2 19.0011
2f3nA c 4 13.3954
2f3nA c 8 11.5878
2f3nA 3 1 25.4395
2f3nA 3 2 13.3404
2f3nA 3 4 9.4609
2f3nA 3 8 5.6054
2pcy_ x 1 74.3570
2pcy_ x 2 38.9385
2pcy_ x 4 24.6719
2pcy_ x 8 22.0599
2pcy_ c 1 125.7065
2pcy_ c 2 65.9399
2pcy_ c 4 35.2859
2pcy_ c 8 32.1092
2pcy_ 3 1 84.7964
2pcy_ 3 2 44.3383
2pcy_ 3 4 23.7784
2pcy_ 3 8 24.2394
2reb_2 x 1 31.2114
2reb_2 x 2 16.2522
2reb_2 x 4 11.4991
2reb_2 x 8 8.9988
2reb_2 c 1 45.8284
2reb_2 c 2 24.0239
2reb_2 c 4 17.1515
2reb_2 c 8 14.5912
2reb_2 3 1 31.3969
2reb_2 3 2 16.5750
2reb_2 3 4 11.8256
2reb_2 3 8 9.1688
mean times
 c 1  4660.80
 c 2  2427.89
 c 4  1570.47
 c 8  1426.75
 3 1  3086.25
 3 2  1621.26
 3 4   974.20
 3 8   804.97
 x 1  2820.11
 x 2  1470.29
 x 4   957.58
 x 8   817.06
c=scalar
3=sse3
x=avx

hierarchical_partition_times
         1thread  2threads 4threads 8threads
 1abv_ 1.756076 1.197971 0.860250 0.857183 
 1af7_ 1.735597 1.189310 0.847273 0.846090 
 1ah9_ 8.209159 5.771278 4.214893 4.162338 
 1aoy_ 14.158192 9.616279 6.772004 6.847162 
 1b4bA 1.710940 1.148042 0.834269 0.827226 
 1b72A 1.695493 1.129906 0.815857 0.807995 
 1bm8_ 4.257761 2.909534 2.083969 2.061462 
 1bq9A 4.334884 2.958210 2.098855 2.072659 
 1cewI 4.214095 2.827093 2.049915 2.031973 
 1cqkA 4.236924 2.903025 2.086970 2.068620 
 1csp_ 1.738420 1.172588 0.850668 0.840493 
 1cy5A 13.042347 8.874192 6.400187 6.343387 
1dcjA_ 4.482730 3.024944 2.156240 2.133959 
1di2A_ 4.389996 3.004433 2.134157 2.111175 
1dtjA_ 4.494261 3.025429 2.159976 2.140481 
 1egxA 4.201463 2.877940 2.079258 2.072800 
 1fadA 1.758536 1.175247 0.858095 0.848908 
 1fo5A 4.620240 3.141374 2.206787 2.190265 
 1g1cA 4.433703 3.050229 2.146146 2.128882 
 1gjxA 1.703987 1.161364 0.837515 0.828751 
 1gnuA 3.340902 2.252216 1.626898 1.626944 
 1gpt_ 13.112417 8.927801 6.378930 6.334998 
 1gyvA 1.485058 1.001520 0.727972 0.725472 
 1hbkA 4.317938 2.909082 2.091289 2.063868 
 1itpA 1.750841 1.175695 0.852815 0.850890 
 1jnuA 4.317420 2.928395 2.100360 2.088018 
 1kjs_ 4.535966 3.050940 2.185032 2.165138 
 1kviA 4.111404 2.761370 1.971498 1.956628 
1mkyA3 1.742800 1.149760 0.849801 0.841719 
1mla_2 1.748738 1.181068 0.853531 0.845259 
 1mn8A 1.711508 1.159614 0.841305 0.832869 
1n0uA4 1.698647 1.120135 0.816710 0.812772 
 1ne3A 1.762585 1.195367 0.867159 0.862519 
 1no5A 1.704729 1.145887 0.840983 0.831857 
 1npsA 4.451294 2.986011 2.148395 2.146736 
1o2fB_ 1.750138 1.167790 0.847233 0.839579 
 1of9A 4.500209 2.990308 2.140536 2.128370 
1ogwA_ 4.141126 2.766392 1.962626 1.959881 
 1orgA 4.298306 2.897288 2.088862 2.075939 
 1pgx_ 4.402934 2.948583 2.127873 2.112974 
 1r69_ 4.022594 2.679465 1.909622 1.894106 
 1sfp_ 4.458172 3.003887 2.149945 2.143245 
 1shfA 4.391540 2.955433 2.130616 2.110550 
 1sro_ 4.476285 2.991007 2.138555 2.139557 
 1ten_ 4.286784 2.886385 2.084288 2.057475 
 1tfi_ 14.179536 9.440964 6.764619 6.783383 
 1thx_ 13.836976 9.385774 6.762639 6.696714 
 1tif_ 1.726194 1.157430 0.833711 0.832805 
 1tig_ 1.728959 1.173155 0.846310 0.837186 
 1vcc_ 4.359597 2.960449 2.117587 2.096895 
 256bA 4.545988 3.050069 2.183091 2.160790 
 2a0b_ 13.316818 9.060605 6.491838 6.474363 
 2cr7A 1.648032 1.083423 0.786853 0.785419 
 2f3nA 4.162942 2.809297 1.994200 1.972342 
 2pcy_ 4.280466 2.886120 2.077858 2.056821 
2reb_2 1.706223 1.144580 0.829102 0.825513 
mean 4.449766   3.009672   2.159177   2.146275

kmeans_partition_times (500 trajectories calcualte - average time per kmeans trajectory)
         1thread  2threads 4threads 8threads
 1abv_ 0.300570 0.160653 0.104263 0.104282 
 1af7_ 0.287380 0.153044 0.101801 0.099202 
 1ah9_ 1.490082 0.796207 0.545621 0.506640 
 1aoy_ 1.868706 0.992122 0.676692 0.681886 
 1b4bA 0.297836 0.154542 0.105381 0.105121 
 1b72A 0.287076 0.149470 0.100140 0.098296 
 1bm8_ 0.767602 0.400536 0.277541 0.263783 
 1bq9A 0.769656 0.405441 0.278026 0.268026 
 1cewI 0.765756 0.461020 0.277149 0.265679 
 1cqkA 0.757330 0.392179 0.274383 0.266137 
 1csp_ 0.298388 0.154259 0.107127 0.104980 
 1cy5A 1.811706 0.978863 0.658884 0.644647 
1dcjA_ 0.763280 0.402201 0.276191 0.269679 
1di2A_ 0.784068 0.439110 0.282205 0.269575 
1dtjA_ 0.737434 0.401697 0.266738 0.265496 
 1egxA 0.763758 0.395836 0.275253 0.267169 
 1fadA 0.292052 0.152974 0.107685 0.103171 
 1fo5A 0.736766 0.388966 0.268226 0.264441 
 1g1cA 0.742874 0.430396 0.268542 0.266502 
 1gjxA 0.295870 0.153735 0.108032 0.102356 
 1gnuA 0.610398 0.315707 0.217407 0.210881 means
 1gpt_ 1.911736 0.971104 0.683404 0.668276 
 1gyvA 0.256194 0.136130 0.095501 0.089500 
 1hbkA 0.775616 0.404044 0.274125 0.265194 
 1itpA 0.302336 0.157084 0.110984 0.104024 
 1jnuA 0.742130 0.385908 0.270733 0.264782 
 1kjs_ 0.751866 0.392086 0.274371 0.261711 
 1kviA 0.673718 0.377548 0.246392 0.245968 
1mkyA3 0.305456 0.158743 0.108004 0.106795 
1mla_2 0.294450 0.152373 0.105881 0.103306 
 1mn8A 0.302302 0.156972 0.107410 0.105115 
1n0uA4 0.284658 0.148613 0.105479 0.100761 
 1ne3A 0.300296 0.158188 0.111153 0.104413 
 1no5A 0.309962 0.161514 0.110339 0.105164 
 1npsA 0.745994 0.388587 0.268320 0.262446 
1o2fB_ 0.299830 0.157086 0.104247 0.100618 
 1of9A 0.760882 0.378253 0.256361 0.254723 
1ogwA_ 0.688344 0.351805 0.244514 0.242431 
 1orgA 0.735078 0.388771 0.269457 0.265565 
 1pgx_ 0.776648 0.402108 0.275060 0.265499 
 1r69_ 0.660886 0.340449 0.236494 0.233537 
 1sfp_ 0.734208 0.383385 0.268721 0.266301 
 1shfA 0.757092 0.403826 0.278734 0.256938 
 1sro_ 0.753592 0.401807 0.274076 0.267503 
 1ten_ 0.758792 0.395211 0.271070 0.265225 
 1tfi_ 1.841634 0.990683 0.691592 0.674195 
 1thx_ 1.980306 1.028393 0.711343 0.682014 
 1tif_ 0.292298 0.174723 0.105032 0.102872 
 1tig_ 0.303644 0.163128 0.112245 0.102952 
 1vcc_ 0.764674 0.401050 0.275900 0.267542 
 256bA 0.749860 0.402287 0.271387 0.264813 
 2a0b_ 1.869778 0.992388 0.693056 0.668039 
 2cr7A 0.282390 0.141767 0.096369 0.095960 
 2f3nA 0.690978 0.368369 0.250545 0.247281 
 2pcy_ 0.766546 0.397932 0.280625 0.264958 
2reb_2 0.287836 0.149886 0.102427 0.100379 
 0.716796   0.379306   0.259261   0.251871

nvidia_gpu_all_atom_rmsd_times

 1abv_   20.974
 1af7_   15.167
 1ah9_   68.098
 1aoy_   85.702
 1b4bA   14.704
 1b72A   11.756
 1bm8_   50.525
 1bq9A   27.070
 1cewI   45.035
 1cqkA   45.631
 1csp_   13.868
 1cy5A  132.581
1dcjA_   35.766
1di2A_   35.001
1dtjA_   38.674
 1egxA   65.866
 1fadA   20.398
 1fo5A   41.879
 1g1cA   52.800
 1gjxA   13.768
 1gnuA   34.505
 1gpt_   63.743
 1gyvA   22.475
 1hbkA   52.301
 1itpA   13.741
 1jnuA   54.346
 1kjs_   39.163
 1kviA   32.713
1mkyA3   18.462
1mla_2   13.486
 1mn8A   18.749
1n0uA4   13.102
 1ne3A   11.141
 1no5A   20.516
 1npsA   50.562
1o2fB_   15.007
 1of9A   38.007
1ogwA_   35.898
 1orgA   37.302
 1pgx_   29.593
 1r69_   27.543
 1sfp_   38.418
 1shfA   34.159
 1sro_   36.190
 1ten_   47.856
 1tfi_   64.959
 1thx_  129.947
 1tif_   12.121
 1tig_   18.475
 1vcc_   43.907
 256bA   31.660
 2a0b_  153.902
 2cr7A   11.537
 2f3nA   35.657
 2pcy_   52.182
2reb_2   12.052
mean 39.297143

nvidia_gpu_CA_rmsd_times

 1abv_    3.564
 1af7_    2.898
 1ah9_   10.243
 1aoy_   14.415
 1b4bA    2.164
 1b72A    1.738
 1bm8_    8.976
 1bq9A    5.813
 1cewI    7.194
 1cqkA    7.516
 1csp_    2.136
 1cy5A   20.811
1dcjA_    5.641
1di2A_    5.684
1dtjA_    6.069
 1egxA    9.314
 1fadA    2.716
 1fo5A    6.263
 1g1cA    7.003
 1gjxA    3.058
 1gnuA    7.642
 1gpt_   12.174
 1gyvA    2.665
 1hbkA    6.471
 1itpA    2.194
 1jnuA    9.046
 1kjs_    5.598
 1kviA    5.168
1mkyA3    2.722
1mla_2    2.877
 1mn8A    2.836
1n0uA4    2.155
 1ne3A    2.106
 1no5A    3.019
 1npsA    5.495
1o2fB_    2.261
 1of9A    6.382
1ogwA_    5.432
 1orgA    7.717
 1pgx_    6.740
 1r69_    4.711
 1sfp_    8.897
 1shfA    7.039
 1sro_    7.454
 1ten_    5.791
 1tfi_   12.835
 1thx_   19.129
 1tif_    1.958
 1tig_    2.247
 1vcc_    5.316
 256bA    6.981
 2a0b_   25.768
 2cr7A    1.972
 2f3nA    5.757
 2pcy_    7.548
2reb_2    2.594
mean 6.427018

nvidia_gpu tmscore_times (2 repetitions)
1abv_ 19.8594
1abv_ 19.8478
1af7_ 7.3003
1af7_ 7.2970
1ah9_ 5.4222
1ah9_ 5.4271
1aoy_ 3.2793
1aoy_ 3.2799
1b4bA 7.0069
1b4bA 7.0028
1b72A 3.0572
1b72A 3.0548
1bm8_ 17.4266
1bm8_ 17.4375
1bq9A 4.6229
1bq9A 4.6260
1cewI 11.2974
1cewI 11.3151
1cqkA 10.1049
1cqkA 10.1103
1csp_ 3.2021
1csp_ 3.2037
1cy5A 4.7773
1cy5A 4.7782
1dcjA_ 5.2539
1dcjA_ 5.2480
1di2A_ 3.3975
1di2A_ 3.4018
1dtjA_ 4.5990
1dtjA_ 4.6028
1egxA 12.4643
1egxA 12.4732
1fadA 5.4932
1fadA 5.4928
1fo5A 5.5917
1fo5A 5.5936
1g1cA 7.7959
1g1cA 7.7926
1gjxA 9.3885
1gjxA 9.3869
1gnuA 20.7889
1gnuA 20.7972
1gpt_ 2.5683
1gpt_ 2.5707
1gyvA 11.7471
1gyvA 11.7500
1hbkA 10.5880
1hbkA 10.5918
1itpA 6.7300
1itpA 6.7335
1jnuA 8.8669
1jnuA 8.8755
1kjs_ 7.0296
1kjs_ 7.0357
1kviA 2.6581
1kviA 2.6601
1mkyA3 10.6510
1mkyA3 10.6606
1mla_2 4.5039
1mla_2 4.4995
1mn8A 13.7604
1mn8A 13.7710
1n0uA4 3.0942
1n0uA4 3.0952
1ne3A 4.9332
1ne3A 4.9329
1no5A 12.8783
1no5A 12.8884
1npsA 7.5363
1npsA 7.5373
1o2fB_ 9.1652
1o2fB_ 9.1709
1of9A 2.8568
1of9A 2.8573
1ogwA_ 3.0096
1ogwA_ 2.9954
1orgA 10.3995
1orgA 10.3982
1pgx_ 4.1938
1pgx_ 4.1949
1r69_ 2.1911
1r69_ 2.1945
1sfp_ 8.7198
1sfp_ 8.7231
1shfA 4.5057
1shfA 4.5110
1sro_ 4.0485
1sro_ 4.0462
1ten_ 6.4443
1ten_ 6.4428
1tfi_ 3.3715
1tfi_ 3.3694
1thx_ 8.4723
1thx_ 8.4677
1tif_ 4.9956
1tif_ 4.9928
1tig_ 14.3652
1tig_ 14.3632
1vcc_ 8.7039
1vcc_ 8.7045
256bA 7.4863
256bA 7.4840
2a0b_ 12.8356
2a0b_ 12.8155
2cr7A 4.5371
2cr7A 4.5309
2f3nA 2.7801
2f3nA 2.7823
2pcy_ 9.8816
2pcy_ 9.8744
2reb_2 5.2332
2reb_2 5.2348

qcprot_all_atom_rmsd_times

 1abv_ 1220.275
 1af7_  816.693
 1ah9_ 3296.743
 1aoy_ 4620.713
 1b4bA  731.405
 1b72A  561.694
 1bm8_ 3182.949
 1bq9A 1420.460
 1cewI 2985.626
 1cqkA 2936.256
 1csp_  716.193
 1cy5A 6427.723
1dcjA_ 2092.918
1di2A_ 1928.975
1dtjA_ 2020.030
 1egxA 3160.428
 1fadA 1021.802
 1fo5A 2297.816
 1g1cA 2781.742
 1gjxA  765.101
 1gnuA 2752.190
 1gpt_ 3116.016
 1gyvA 1207.581
 1hbkA 2684.870
 1itpA  720.548
 1jnuA 3051.810
 1kjs_ 2009.931
 1kviA 1684.937
1mkyA3  918.588
1mla_2  641.331
 1mn8A 1003.105
1n0uA4  683.180
 1ne3A  574.543
 1no5A 1100.672
 1npsA 2298.330
1o2fB_  771.877
 1of9A 2006.271
1ogwA_ 1825.007
 1orgA 3457.412
 1pgx_ 1541.983
 1r69_ 1422.941
 1sfp_ 3380.592
 1shfA 1635.819
 1sro_ 1936.841
 1ten_ 2529.863
 1tfi_ 3265.182
 1thx_ 8333.271
 1tif_  684.945
 1tig_ 1020.281
 1vcc_ 2294.996
 256bA 3056.467
 2a0b_ 8393.720
 2cr7A  613.079
 2f3nA 1739.775
 2pcy_ 2623.944
2reb_2  644.348
mean 2189.496217

qcprot_CA_rmsd_times

 1abv_  171.676
 1af7_  129.309
 1ah9_  558.735
 1aoy_  763.905
 1b4bA  126.183
 1b72A   91.860
 1bm8_  427.110
 1bq9A  263.733
 1cewI  442.479
 1cqkA  426.092
 1csp_  118.413
 1cy5A  958.687
1dcjA_  334.513
1di2A_  310.308
1dtjA_  333.074
 1egxA  464.599
 1fadA  152.743
 1fo5A  365.518
 1g1cA  410.264
 1gjxA  138.348
 1gnuA  369.407
 1gpt_  607.666
 1gyvA  153.980
 1hbkA  376.045
 1itpA  120.078
 1jnuA  423.153
 1kjs_  333.665
 1kviA  279.733
1mkyA3  135.447
1mla_2  121.345
 1mn8A  143.082
1n0uA4  114.942
 1ne3A  104.654
 1no5A  152.294
 1npsA  374.874
1o2fB_  134.166
 1of9A  325.281
1ogwA_  290.456
 1orgA  464.020
 1pgx_  274.255
 1r69_  242.582
 1sfp_  452.153
 1shfA  278.883
 1sro_  313.360
 1ten_  376.349
 1tfi_  620.307
 1thx_ 1120.083
 1tif_  112.753
 1tig_  156.191
 1vcc_  364.106
 256bA  441.908
 2a0b_ 1278.115
 2cr7A  102.081
 2f3nA  270.098
 2pcy_  407.718
2reb_2  108.262
mean  338.054341

scalar_all_atom_rmsd_times
        1thread  2threads 4threads 8threads
 1abv_  199.446  100.985   59.459   65.426 
 1af7_  149.804   76.934   53.789   52.444 
 1ah9_  638.129  319.616  211.141  206.549 
 1aoy_  869.411  446.604  299.599  274.559 
 1b4bA  134.240   69.141   36.527   41.242 
 1b72A  113.835   56.581   32.401   37.540 
 1bm8_  531.997  265.947  186.555  172.592 
 1bq9A  286.146  144.214   83.636   82.788 
 1cewI  546.439  275.604  183.955  185.680 
 1cqkA  530.253  267.110  173.307  167.645 
 1csp_  137.514   68.459   36.200   34.910 
 1cy5A 1216.683  595.243  412.043  388.941 
1dcjA_  393.955  191.610  121.761  123.480 
1di2A_  371.956  180.196  112.573  110.436 
1dtjA_  391.625  187.092  119.381  117.444 
 1egxA  598.651  289.714  193.153  189.679 
 1fadA  189.361   93.087   51.277   50.474 
 1fo5A  448.318  216.149  151.877  147.414 
 1g1cA  534.433  259.517  167.729  161.785 
 1gjxA  144.457   73.746   39.007   37.114 
 1gnuA  482.613  245.201  131.121  169.391 
 1gpt_  612.583  315.783  175.951  195.778 
 1gyvA  198.316   98.784   52.059   58.687 
 1hbkA  478.482  248.820  136.155  159.240 
 1itpA  134.154   68.621   38.437   36.102 
 1jnuA  555.470  276.727  163.240  183.561 
 1kjs_  379.370  191.886  102.969  117.965 
 1kviA  330.196  165.015   89.190  100.313 
1mkyA3  172.650   87.000   46.205   46.917 
1mla_2  126.367   62.579   33.927   41.978 
 1mn8A  179.049   88.793   47.916   49.783 
1n0uA4  134.178   66.677   35.250   44.745 
 1ne3A  114.437   58.477   30.781   29.622 
 1no5A  196.183   98.327   52.321   64.101 
 1npsA  440.401  217.957  117.146  139.071 
1o2fB_  140.850   72.592   38.064   36.930 
 1of9A  360.281  184.776  103.230  121.926 
1ogwA_  343.251  178.649  109.993  107.378 
 1orgA  578.151  287.475  159.548  193.075 
 1pgx_  304.813  156.109   88.142   89.279 
 1r69_  274.500  141.714   78.585   85.512 
 1sfp_  553.733  291.061  171.094  187.250 
 1shfA  315.315  163.574   88.598   97.357 
 1sro_  372.472  184.966  101.193  117.177 
 1ten_  439.108  225.510  149.372  141.573 
 1tfi_  672.363  335.573  205.085  211.686 
 1thx_ 1358.409  707.351  407.893  458.557 
 1tif_  121.637   61.740   32.791   32.605 
 1tig_  181.901   90.219   52.532   61.308 
 1vcc_  413.762  210.066  123.768  131.491 
 256bA  523.183  269.538  154.793  175.702 
 2a0b_ 1466.960  760.167  453.151  511.025 
 2cr7A  116.977   60.040   31.582   30.567 
 2f3nA  341.178  170.746  108.433  107.079 
 2pcy_  474.374  245.753  136.710  153.535 
2reb_2  126.137   62.615   33.003   31.808 
400.722427  202.293425  121.528555  128.003879


kmeans_total_time
                                   8threads
 1abv_    0.000    0.000    0.000   77.860 
 1af7_    0.000    0.000    0.000   70.030 
 1ah9_    0.000    0.000    0.000  321.750 
 1aoy_    0.000    0.000    0.000  439.710 
 1b4bA    0.000    0.000    0.000   67.400 
 1b72A    0.000    0.000    0.000   62.960 
 1bm8_    0.000    0.000    0.000  192.870 
 1bq9A    0.000    0.000    0.000  168.570 
 1cewI    0.000    0.000    0.000  199.710 
 1cqkA    0.000    0.000    0.000  201.260 
 1csp_    0.000    0.000    0.000   67.500 
 1cy5A    0.000    0.000    0.000  135.432 
1dcjA_    0.000    0.000    0.000  180.870 
1di2A_    0.000    0.000    0.000  173.990 
1dtjA_    0.000    0.000    0.000  175.950 
 1egxA    0.000    0.000    0.000  206.780 
 1fadA    0.000    0.000    0.000   76.620 
 1fo5A    0.000    0.000    0.000  182.970 
 1g1cA    0.000    0.000    0.000  202.250 
 1gjxA    0.000    0.000    0.000   67.500 
 1gnuA    0.000    0.000    0.000  171.840 
 1gpt_    0.000    0.000    0.000  408.720 
 1gyvA    0.000    0.000    0.000   71.120 
 1hbkA    0.000    0.000    0.000  205.500 
 1itpA    0.000    0.000    0.000   66.930 
 1jnuA    0.000    0.000    0.000  209.030 
 1kjs_    0.000    0.000    0.000  178.030 
 1kviA    0.000    0.000    0.000  160.520 
1mkyA3    0.000    0.000    0.000   72.590 
1mla_2    0.000    0.000    0.000   67.330 
 1mn8A    0.000    0.000    0.000   76.650 
1n0uA4    0.000    0.000    0.000   65.510 
 1ne3A    0.000    0.000    0.000   65.500 
 1no5A    0.000    0.000    0.000   80.990 
 1npsA    0.000    0.000    0.000  178.580 
1o2fB_    0.000    0.000    0.000   68.710 
 1of9A    0.000    0.000    0.000  168.810 
1ogwA_    0.000    0.000    0.000  162.210 
 1orgA    0.000    0.000    0.000  196.440 
 1pgx_    0.000    0.000    0.000  164.890 
 1r69_    0.000    0.000    0.000  145.840 
 1sfp_    0.000    0.000    0.000  195.440 
 1shfA    0.000    0.000    0.000  165.870 
 1sro_    0.000    0.000    0.000  179.480 
 1ten_    0.000    0.000    0.000  192.200 
 1tfi_    0.000    0.000    0.000  422.180 
 1thx_    0.000    0.000    0.000  150.094 
 1tif_    0.000    0.000    0.000   66.680 
 1tig_    0.000    0.000    0.000   74.160 
 1vcc_    0.000    0.000    0.000  178.030 
 256bA    0.000    0.000    0.000  194.310 
 2a0b_    0.000    0.000    0.000  149.458 
 2cr7A    0.000    0.000    0.000   62.550 
 2f3nA    0.000    0.000    0.000  162.030 
 2pcy_    0.000    0.000    0.000  190.500 
2reb_2    0.000    0.000    0.000   67.520 
 0.000000   0.000000   0.000000  155.504005

scalar_CA_rmsd_times
         1thread  2threads 4threads 8threads
 1abv_   37.041   18.838    9.954    8.397 
 1af7_   29.443   15.048    7.992    6.480 
 1ah9_  130.739   67.391   35.259   28.275 
 1aoy_  186.244   94.678   50.170   40.333 
 1b4bA   28.567   14.512    7.723    6.243 
 1b72A   23.603   12.177    6.439    4.975 
 1bm8_   92.653   46.925   24.865   20.889 
 1bq9A   63.424   32.396   17.217   13.490 
 1cewI   99.176   50.130   26.439   22.350 
 1cqkA   97.398   48.961   25.885   21.785 
 1csp_   28.750   14.505    7.728    6.192 
 1cy5A  217.969  110.708   58.610   48.827 
1dcjA_   77.287   38.871   20.698   16.951 
1di2A_   74.041   37.409   19.881   16.410 
1dtjA_   77.417   39.498   21.006   17.015 
 1egxA  102.971   52.001   27.611   23.409 
 1fadA   34.820   17.638    9.377    7.763 
 1fo5A   83.685   42.822   22.708   19.095 
 1g1cA   94.171   47.559   25.218   21.604 
 1gjxA   30.883   15.699    8.337    6.850 
 1gnuA   81.388   41.026   21.741   19.013 
 1gpt_  152.057   77.319   40.856   31.599 
 1gyvA   34.350   17.300    9.169    7.858 
 1hbkA   85.582   43.704   23.182   19.215 
 1itpA   28.403   14.645    7.760    6.246 
 1jnuA   95.632   48.644   25.860   21.744 
 1kjs_   76.901   39.306   20.889   17.017 
 1kviA   70.136   35.566   18.890   15.103 
1mkyA3   32.748   16.655    8.853    7.199 
1mla_2   28.684   14.682    7.771    6.289 
 1mn8A   32.579   16.586    8.802    7.289 
1n0uA4   28.518   14.550    7.737    6.195 
 1ne3A   26.851   13.870    7.299    5.699 
 1no5A   34.407   17.699    9.265    7.754 
 1npsA   84.647   43.066   22.764   18.814 
1o2fB_   30.546   15.557    8.270    6.752 
 1of9A   75.148   38.123   20.255   16.465 
1ogwA_   70.493   35.810   19.002   15.361 
 1orgA  101.516   51.834   27.247   24.589 
 1pgx_   69.620   35.420   18.825   14.820 
 1r69_   59.381   30.364   16.149   12.762 
 1sfp_  103.458   52.477   27.713   23.465 
 1shfA   66.863   34.183   18.049   14.299 
 1sro_   76.170   38.603   20.570   16.595 
 1ten_   88.906   45.237   23.872   19.489 
 1tfi_  159.525   82.346   43.399   35.454 
 1thx_  250.349  125.844   67.346   56.161 
 1tif_   25.790   13.155    6.987    5.540 
 1tig_   34.127   17.240    9.182    7.583 
 1vcc_   79.688   40.464   21.381   18.474 
 256bA  101.549   51.097   27.078   22.584 
 2a0b_  259.982  130.257   69.174   62.653 
 2cr7A   24.959   12.721    6.771    5.374 
 2f3nA   68.539   34.748   18.456   14.688 
 2pcy_   93.995   47.345   25.163   21.032 
2reb_2   26.432   13.446    7.160    5.689 
78.039259  39.618889  21.000057  17.396361

spicker_total_times

 1abv_  154.810
 1af7_  112.390
 1ah9_  112.420
 1aoy_  120.230
 1b4bA  112.460
 1b72A   81.340
 1bm8_  179.440
 1bq9A   99.150
 1cewI  172.170
 1cqkA  168.080
 1csp_  110.620
 1cy5A  152.690
1dcjA_  122.520
1di2A_  116.610
1dtjA_  125.220
 1egxA  184.100
 1fadA  140.950
 1fo5A  150.810
 1g1cA  167.640
 1gjxA  122.320
 1gnuA  187.050
 1gpt_   97.900
 1gyvA  149.250
 1hbkA  149.150
 1itpA  111.560
 1jnuA  180.180
 1kjs_  130.610
 1kviA  128.180
1mkyA3  134.500
1mla_2  116.110
 1mn8A  138.150
1n0uA4  120.200
 1ne3A  108.030
 1no5A  146.060
 1npsA  151.330
1o2fB_  123.970
 1of9A  134.680
1ogwA_  137.020
 1orgA  193.570
 1pgx_  116.130
 1r69_  122.440
 1sfp_  186.680
 1shfA  112.150
 1sro_  135.060
 1ten_  156.880
 1tfi_  105.630
 1thx_  187.510
 1tif_  101.220
 1tig_  139.320
 1vcc_  140.070
 256bA  182.960
 2a0b_  201.350
 2cr7A   96.180
 2f3nA  134.420
 2pcy_  164.610
2reb_2  103.370
mean 138.025893

sse3_all_atom_rmsd_times
        1thread  2threads 4threads 8threads
 1abv_   77.734   40.594   27.524   21.213 
 1af7_   58.245   31.426   21.480   16.191 
 1ah9_  243.932  133.380   92.719   68.637 
 1aoy_  361.557  191.437  127.455   97.573 
 1b4bA   54.647   28.043   19.508   14.710 
 1b72A   44.669   23.682   16.383   12.107 
 1bm8_  197.755  106.840   71.776   55.905 
 1bq9A  112.370   60.483   41.761   30.785 
 1cewI  204.424  110.323   73.852   57.979 
 1cqkA  197.395  105.446   78.605   56.181 
 1csp_   51.979   28.571   20.283   14.642 
 1cy5A  455.256  243.163  162.582  127.590 
1dcjA_  150.158   77.448   53.931   42.523 
1di2A_  135.807   74.933   50.691   38.565 
1dtjA_  147.309   78.832   54.264   41.314 
 1egxA  202.738  114.532   77.717   61.250 
 1fadA   67.456   37.887   25.621   19.610 
 1fo5A  158.560  107.112   59.861   45.961 
 1g1cA  186.193  112.169   69.898   57.176 
 1gjxA   57.860   29.598   20.609   15.593 
 1gnuA  179.053   93.785   65.319   51.542 
 1gpt_  267.507  140.168   93.763   70.417 
 1gyvA   69.520   43.048   26.418   20.643 
 1hbkA  186.165  116.230   67.207   54.612 
 1itpA   54.238   37.334   19.591   14.542 
 1jnuA  205.256  107.066   74.867   58.487 
 1kjs_  151.332   94.670   53.801   42.251

 1kviA  131.687   69.206   46.505   35.623 
1mkyA3   66.377   35.505   23.820   18.224 
1mla_2   50.154   25.881   17.973   13.281 
 1mn8A   64.047   46.175   24.364   18.725 
1n0uA4   52.932   27.451   19.032   14.255 
 1ne3A   46.587   25.814   17.051   12.523 
 1no5A   74.482   50.388   26.659   20.759 
 1npsA  161.300  107.736   59.927   45.461 
1o2fB_   54.124   29.537   20.358   15.439 
 1of9A  138.496   78.764   50.801   39.741 
1ogwA_  139.337   73.412   49.628   38.221 
 1orgA  213.586  122.923   78.857   64.516 
 1pgx_  124.256   65.121   45.048   34.306 
 1r69_  107.690   58.523   40.369   30.172 
 1sfp_  201.233   30.318   15.701   12.756 
 1shfA  129.219   68.845   46.383   30.724 
 1sro_  146.264   93.575   52.358   40.104 
 1ten_  166.562   92.007   61.885   51.700 
 1tfi_  287.592  144.324   97.614   73.513 
 1thx_  491.481  279.035  197.202  150.957 
 1tif_   49.906   25.877   17.817   13.274 
 1tig_   66.012   41.991   24.899   19.132 
 1vcc_  163.281   83.839   58.402   35.555 
 256bA  201.715  106.491   72.844   57.105 
 2a0b_  532.755  309.296  200.416  162.512 
 2cr7A   48.158   33.157   17.239   12.733 
 2f3nA  128.196   79.464   48.030   35.636 
 2pcy_  181.746   94.713   66.096   50.242 
2reb_2   50.417   26.657   17.953   13.347 
152.655498  83.825350  55.048473  42.295273

sse3_CA_rmsd_times
        1thread  2threads 4threads 8threads
 1abv_   20.390   10.498    5.540    3.648 
 1af7_   17.532    8.986    4.735    3.100 
 1ah9_   81.627   41.921   22.048   14.035 
 1aoy_  119.059   60.439   31.695   24.291 
 1b4bA   16.963    8.667    4.597    3.021 
 1b72A   15.863    8.171    4.331    2.808 
 1bm8_   52.006   26.719   14.122    9.209 
 1bq9A   41.618   21.091   11.190    7.217 
 1cewI   55.395   28.159   14.699   10.222 
 1cqkA   55.620   28.415   14.776   10.737 
 1csp_   17.512    8.904    4.691    3.072 
 1cy5A  127.030   63.867   33.763   25.543 
1dcjA_   46.693   23.857   12.570    8.896 
1di2A_   45.603   23.034   12.122    8.195 
1dtjA_   47.811   24.103   12.755    8.955 
 1egxA   55.725   28.387   15.143   10.273 
 1fadA   19.803   10.184    5.346    3.541 
 1fo5A   50.524   25.558   13.449    9.174 
 1g1cA   54.216   27.600   14.328   10.050 
 1gjxA   18.606    9.456    4.946    3.309 
 1gnuA   44.775   22.638   11.938    8.203 
 1gpt_  101.273   51.486   27.060   19.492 
 1gyvA   18.430    9.329    4.911    3.345 
 1hbkA   49.900   25.589   13.541    9.725 
 1itpA   17.140    8.805    4.670    3.056 
 1jnuA   53.116   27.301   14.463   11.269 
 1kjs_   46.651   23.725   12.484    9.103 
 1kviA   43.528   22.072   11.625    7.608 
1mkyA3   19.535   10.005    5.272    3.491 
1mla_2   17.257    8.826    4.665    3.046 
 1mn8A   18.784    9.583    5.087    3.364 
1n0uA4   17.624    9.066    4.765    3.151 
 1ne3A   17.305    8.863    4.701    3.201 
 1no5A   19.471   10.149    5.298    3.709 
 1npsA   47.912   24.916   12.966    8.933 
1o2fB_   18.188    9.303    4.922    3.772 
 1of9A   44.595   22.872   12.058    7.652 
1ogwA_   42.556   21.907   11.451    7.463 
 1orgA   53.758   27.951   14.698   11.277 
 1pgx_   45.133   22.929   12.071    7.896 
 1r69_   37.607   19.407   10.228    6.463 
 1sfp_   58.080   29.730   15.389   10.423 
 1shfA   42.199   21.405   11.320    7.251 
 1sro_   46.588   23.901   12.513    8.142 
 1ten_   52.887   26.985   14.038    9.817 
 1tfi_  110.478   55.678   29.325   20.476 
 1thx_  135.935   69.792   37.220   26.291 
 1tif_   16.065    8.196    4.353    2.815 
 1tig_   20.106   10.042    5.260    3.487 
 1vcc_   47.719   24.152   12.715    8.341 
 256bA   58.843   29.597   15.348   11.746 
 2a0b_  136.619   69.612   40.831   27.200 
 2cr7A   15.624    8.022    4.214    2.749 
 2f3nA   43.730   22.058   11.614    7.564 
 2pcy_   53.401   27.548   14.309   10.743 
2reb_2   16.534    8.401    4.465    3.220 
mean 46.231168  23.568757  12.475618   8.656821

clusco_tmscore_times (name number_of_thread time)
         
1abv_ 1 127.079
1abv_ 2 64.4445
1abv_ 4 34.3966
1abv_ 8 34.49
1af7_ 1 64.5491
1af7_ 2 33.1793
1af7_ 4 17.7134
1af7_ 8 18.2685
1ah9_ 1 53.2365
1ah9_ 2 27.6198
1ah9_ 4 14.5996
1ah9_ 8 15.0727
1aoy_ 1 56.3718
1aoy_ 2 28.9665
1aoy_ 4 15.4539
1aoy_ 8 16.0282
1b4bA 1 65.4446
1b4bA 2 33.5313
1b4bA 4 17.8936
1b4bA 8 18.5304
1b72A 1 33.0377
1b72A 2 16.9882
1b72A 4 8.99247
1b72A 8 9.30676
1bm8_ 1 111.002
1bm8_ 2 56.4504
1bm8_ 4 30.1208
1bm8_ 8 28.1758
1bq9A 1 37.6068
1bq9A 2 19.3593
1bq9A 4 10.333
1bq9A 8 8.04122
1cewI 1 149.093
1cewI 2 75.2522
1cewI 4 40.1545
1cewI 8 31.7708
1cqkA 1 132.672
1cqkA 2 66.8446
1cqkA 4 35.6875
1cqkA 8 32.8003
1csp_ 1 60.7576
1csp_ 2 30.9981
1csp_ 4 16.5438
1csp_ 8 17.1036
1cy5A 1 108.386
1cy5A 2 55.3771
1cy5A 4 29.5593
1cy5A 8 30.8705
1dcjA_ 1 68.6635
1dcjA_ 2 35.3652
1dcjA_ 4 18.8755
1dcjA_ 8 19.6329
1di2A_ 1 62.8852
1di2A_ 2 32.3788
1di2A_ 4 17.2833
1di2A_ 8 17.9486
1dtjA_ 1 71.8095
1dtjA_ 2 36.8428
1dtjA_ 4 19.6617
1dtjA_ 8 20.4338
1egxA 1 166.407
1egxA 2 85.7239
1egxA 4 45.756
1egxA 8 41.531
1fadA 1 107.67
1fadA 2 55.47
1fadA 4 29.6051
1fadA 8 23.4266
1fo5A 1 93.1385
1fo5A 2 48.0068
1fo5A 4 25.6192
1fo5A 8 20.1579
1g1cA 1 122.558
1g1cA 2 63.149
1g1cA 4 33.6969
1g1cA 8 33.3195
1gjxA 1 74.5705
1gjxA 2 38.3145
1gjxA 4 20.4415
1gjxA 8 21.07
1gnuA 1 167.121
1gnuA 2 86.1363
1gnuA 4 45.9604
1gnuA 8 47.953
1gpt_ 1 30.8122
1gpt_ 2 15.8876
1gpt_ 4 10.3609
1gpt_ 8 8.77195
1gyvA 1 171.135
1gyvA 2 88.1986
1gyvA 4 62.0955
1gyvA 8 37.3659
1hbkA 1 100.207
1hbkA 2 51.6349
1hbkA 4 29.3663
1hbkA 8 21.8296
1itpA 1 57.916
1itpA 2 29.8484
1itpA 4 15.9329
1itpA 8 12.4599
1jnuA 1 135.342
1jnuA 2 69.7412
1jnuA 4 37.2253
1jnuA 8 38.0975
1kjs_ 1 69.1423
1kjs_ 2 35.6277
1kjs_ 4 19.0221
1kjs_ 8 19.8542
1kviA 1 60.8837
1kviA 2 31.3766
1kviA 4 16.7498
1kviA 8 17.4055
1mkyA3 1 83.6493
1mkyA3 2 43.1024
1mkyA3 4 23.0106
1mkyA3 8 23.9182
1mla_2 1 64.2217
1mla_2 2 33.1038
1mla_2 4 17.6692
1mla_2 8 18.3319
1mn8A 1 82.3175
1mn8A 2 42.4244
1mn8A 4 22.6454
1mn8A 8 17.7614
1n0uA4 1 62.9899
1n0uA4 2 32.4655
1n0uA4 4 17.3373
1n0uA4 8 13.6277
1ne3A 1 40.7198
1ne3A 2 20.9895
1ne3A 4 11.2005
1ne3A 8 8.72233
1no5A 1 107.698
1no5A 2 55.5221
1no5A 4 29.6286
1no5A 8 23.2957
1npsA 1 98.4756
1npsA 2 50.7454
1npsA 4 27.0793
1npsA 8 25.6771
1o2fB_ 1 72.8096
1o2fB_ 2 37.5486
1o2fB_ 4 21.4021
1o2fB_ 8 20.3756
1of9A 1 76.8108
1of9A 2 39.5806
1of9A 4 27.8691
1of9A 8 22.0143
1ogwA_ 1 68.1258
1ogwA_ 2 34.7915
1ogwA_ 4 24.4995
1ogwA_ 8 19.3249
1orgA 1 174.611
1orgA 2 89.3856
1orgA 4 52.5653
1orgA 8 38.0583
1pgx_ 1 47.0559
1pgx_ 2 24.0233
1pgx_ 4 12.8235
1pgx_ 8 10.0499
1r69_ 1 50.1008
1r69_ 2 25.5968
1r69_ 4 13.6627
1r69_ 8 10.7259
1sfp_ 1 157.348
1sfp_ 2 80.4104
1sfp_ 4 42.9291
1sfp_ 8 39.9875
1shfA 1 46.7239
1shfA 2 23.8835
1shfA 4 12.75
1shfA 8 13.1403
1sro_ 1 67.4073
1sro_ 2 34.4431
1sro_ 4 18.3847
1sro_ 8 19.0244
1ten_ 1 99.395
1ten_ 2 50.7942
1ten_ 4 27.1205
1ten_ 8 28.1846
1tfi_ 1 30.7634
1tfi_ 2 15.7255
1tfi_ 4 8.39425
1tfi_ 8 8.68291
1thx_ 1 147.483
1thx_ 2 75.3238
1thx_ 4 40.1966
1thx_ 8 39.4261
1tif_ 1 46.2287
1tif_ 2 23.6104
1tif_ 4 12.5971
1tif_ 8 9.84133
1tig_ 1 95.1933
1tig_ 2 48.6584
1tig_ 4 27.9805
1tig_ 8 20.3924
1vcc_ 1 70.7349
1vcc_ 2 36.1242
1vcc_ 4 25.4322
1vcc_ 8 15.0537
256bA 1 142.773
256bA 2 72.9546
256bA 4 51.3623
256bA 8 34.257
2a0b_ 1 173.327
2a0b_ 2 88.5322
2a0b_ 4 47.2755
2a0b_ 8 49.849
2cr7A 1 47.162
2cr7A 2 24.0715
2cr7A 4 12.8466
2cr7A 8 13.2885
2f3nA 1 56.3473
2f3nA 2 28.7579
2f3nA 4 15.3478
2f3nA 8 15.9525
2pcy_ 1 126.008
2pcy_ 2 64.3842
2pcy_ 4 34.3677
2pcy_ 8 27.1825
2reb_2 1 46.4141
2reb_2 2 23.7029
2reb_2 4 12.65
2reb_2 8 9.86499
1  4942.39
2  2533.37
4  1410.13
8  1257.73

tmscore_orig_times

1abv_ 203.956237
1af7_ 81.985451
1ah9_ 74.854404
1aoy_ 56.231060
1b4bA 93.320516
1b72A 43.014686
1bm8_ 168.969171
1bq9A 52.594812
1cewI 181.044329
1cqkA 177.803499
1csp_ 64.431941
1cy5A 108.069084
1dcjA_ 69.965248
1di2A_ 57.926775
1dtjA_ 74.348560
1egxA 235.494469
1fadA 123.806655
1fo5A 112.579003
1g1cA 152.936443
1gjxA 94.579119
1gnuA 291.761955
1gpt_ 33.705410
1gyvA 219.827192
1hbkA 160.765518
1itpA 74.428504
1jnuA 167.838305
1kjs_ 99.139640
1kviA 52.284570
1mkyA3 162.349412
1mla_2 75.220821
1mn8A 124.439889
1n0uA4 59.368752
1ne3A 54.997925
1no5A 210.839592
1npsA 129.389232
1o2fB_ 88.789075
1of9A 61.597846
1ogwA_ 66.855671
1orgA 199.580077
1pgx_ 62.474149
1r69_ 42.301499
1sfp_ 169.965822
1shfA 60.781007
1sro_ 74.413333
1ten_ 124.499826
1tfi_ 43.342647
1thx_ 177.520325
1tif_ 57.213201
1tig_ 178.966135
1vcc_ 92.261200
256bA 155.129660
2a0b_ 237.585070
2cr7A 63.230564
2f3nA 51.520357
2pcy_ 175.693661
2reb_2 61.881379
total 6389.870683

clusco_hierarchical_times
1abv_	732.706
1af7_	741.128
1ah9_	8609.62
1aoy_	13377.7
1b4bA	757.133
1b72A	729.579
1bm8_	3158.17
1bq9A	3214.54
1cewI	3120.47
1cqkA	3175.56
1csp_	761.514
1cy5A	12189
1dcjA_	3220.54
1di2A_	3176.39
1dtjA_	3221.85
1egxA	3258.04
1fadA	774.714
1fo5A	3242.39
1g1cA	3191.59
1gjxA	783.618
1gnuA	2204.26
1gpt_	12765.4
1gyvA	620.82
1hbkA	3222.61
1itpA	778.218
1jnuA	3203.89
1kjs_	3213.37
1kviA	2909.4
1mkyA3	791.221
1mla_2	802.74
1mn8A	779.256
1n0uA4	749.998
1ne3A	807.728
1no5A	774.788
1npsA	3305.18
1o2fB_	762.537
1of9A	2994.19
1ogwA_	2792.77
1orgA	3168.81
1pgx_	3156.96
1r69_	2637.59
1sfp_	3202.39
1shfA	3207.24
1sro_	3282.35
1ten_	3433.51
1tfi_	13249.9
1thx_	13042
1tif_	759.142
1tig_	760.329
1vcc_	3182.27
256bA	3216.46
2a0b_	13055
2cr7A	693.21
2f3nA	2920.19
2pcy_	3205.67
2reb_2	779.665

1abv_ 12498
1af7_ 12461
1ah9_ 27468
1aoy_ 31979
1b4bA 12418
1b72A 12248
1bm8_ 20000
1bq9A 19975
1cewI 19828
1cqkA 19985
1csp_ 12496
1cy5A 31207
1dcjA_ 19998
1di2A_ 19955
1dtjA_ 20000
1egxA 19992
1fadA 12478
1fo5A 19971
1g1cA 19991
1gjxA 12497
1gnuA 17533
1gpt_ 31673
1gyvA 11507
1hbkA 19964
1itpA 12500
1jnuA 19924
1kjs_ 19983
1kviA 19199
1mkyA3 12500
1mla_2 12483
1mn8A 12497
1n0uA4 12289
1ne3A 12500
1no5A 12497
1npsA 19995
1o2fB_ 12456
1of9A 19688
1ogwA_ 19128
1orgA 19874
1pgx_ 19964
1r69_ 18744
1sfp_ 19983
1shfA 19994
1sro_ 19996
1ten_ 19975
1tfi_ 31987
1thx_ 31959
1tif_ 12429
1tig_ 12498
1vcc_ 19977
256bA 19981
2a0b_ 31843
2cr7A 12054
2f3nA 19318
2pcy_ 19953
2reb_2 12395
