Execution Time217.49s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2018-04-26 04:20:35
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 Processor            1  out of            4  rank in CG_COMM            1 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            3  out of            4  rank in CG_COMM            3 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
 Processor            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             3  iseed=                 -12238971
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 Call Read_Bridge.
 ns=            0
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             0  iseed=                  -3059742
 MPI: node=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
[dell15:35564] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:35564] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     61.95471000671387     
 End of minim, proc            2 time     61.95480918884277     
 End of cycle, master time for            32  iters     61.95709800720215      
 sec, Eval/s     10095.42118850194     
 End of minim, proc            3 time     61.96429896354675     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     101.2727677822113     
 End of minim, proc            1 time     101.2727870941162     
 End of cycle, master time for            22  iters     35.88795995712280      
 sec, Eval/s     12152.20927913018     
 End of minim, proc            2 time     101.2745141983032     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     146.0876660346985     
 End of minim, proc            2 time     146.0877342224121     
 End of cycle, master time for            19  iters     40.35820603370667      
 sec, Eval/s     9495.144548297076     
 UPDATING             3            4
 End of minim, proc            3 time     146.0877218246460     
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            2 time     212.0654242038727     
 End of minim, proc            1 time     212.0744390487671     
 End of cycle, master time for            33  iters     61.16319680213928      
 sec, Eval/s     10701.97494937193     
 UPDATING             3            4
 End of minim, proc            3 time     212.0773279666901     
CG processor   1 is finishing work.
CG processor   2 is finishing work.
CG processor   3 is finishing work.
 End of RUN, master time     212.0867290496826      sec, Eval/s  
    10539.19785559230     
CG processor   0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.13485
Emin=  -200.13485
Emin=  -200.13485
Emin=  -200.13485
difference  .00001  from reference emin -200.13486
difference  .00001  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64783 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184945 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204379 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207390 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226614 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232089 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234649 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240870 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260346 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299790 m    807 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305997 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    322483 m    883 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    335522 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    362314 m   1000 rms  2.22 %NC  53.3     ENERGY    -1.92181E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    363510 m   1006 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    384835 m   1074 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    391793 m   1096 rms  2.80 %NC  53.3     ENERGY    -1.93239E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    392414 m   1099 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    404532 m   1144 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    416731 m   1189 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    419337 m   1199 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    440488 m   1275 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    468781 m   1358 rms  2.22 %NC  53.3     ENERGY    -1.99143E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    479539 m   1402 rms  2.21 %NC  53.3     ENERGY    -1.99144E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    499899 m   1458 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    537891 m   1590 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    587697 m   1760 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    606308 m   1821 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    614018 m   1845 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    663409 m   2021 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    735448 m   2119 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    755993 m   2178 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    768897 m   2206 rms  3.38 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    787861 m   2261 rms  3.39 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    797242 m   2287 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    816235 m   2354 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    827830 m   2390 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    854901 m   2466 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e   1016153 m   2940 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e   1033756 m   2988 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e   1093233 m   3137 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e   1133170 m   3259 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e   1151637 m   3327 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e   1219179 m   3384 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
difference  .00001  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64783 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184945 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204379 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207390 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226614 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232089 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234649 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240870 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260346 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299790 m    807 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305997 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    322483 m    883 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    335522 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    362314 m   1000 rms  2.22 %NC  53.3     ENERGY    -1.92181E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    363510 m   1006 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    384835 m   1074 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    391793 m   1096 rms  2.80 %NC  53.3     ENERGY    -1.93239E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    392414 m   1099 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    404532 m   1144 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    416731 m   1189 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    419337 m   1199 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    440488 m   1275 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    468781 m   1358 rms  2.22 %NC  53.3     ENERGY    -1.99143E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    479539 m   1402 rms  2.21 %NC  53.3     ENERGY    -1.99144E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    499899 m   1458 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    537891 m   1590 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    587697 m   1760 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64783 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    606308 m   1821 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    614018 m   1845 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    663409 m   2021 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    735448 m   2119 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    755993 m   2178 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    768897 m   2206 rms  3.38 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    787861 m   2261 rms  3.39 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    797242 m   2287 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    816235 m   2354 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    827830 m   2390 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    854901 m   2466 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e   1016153 m   2940 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e   1033756 m   2988 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e   1093233 m   3137 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184945 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204379 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e   1133170 m   3259 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e   1151637 m   3327 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207390 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e   1219179 m   3384 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226614 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232089 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234649 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240870 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260346 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299790 m    807 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305997 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    322483 m    883 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    335522 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    362314 m   1000 rms  2.22 %NC  53.3     ENERGY    -1.92181E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    363510 m   1006 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    384835 m   1074 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    391793 m   1096 rms  2.80 %NC  53.3     ENERGY    -1.93239E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    392414 m   1099 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    404532 m   1144 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    416731 m   1189 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    419337 m   1199 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    440488 m   1275 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    468781 m   1358 rms  2.22 %NC  53.3     ENERGY    -1.99143E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    479539 m   1402 rms  2.21 %NC  53.3     ENERGY    -1.99144E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    499899 m   1458 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    537891 m   1590 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    587697 m   1760 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    606308 m   1821 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    614018 m   1845 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    663409 m   2021 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    735448 m   2119 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    755993 m   2178 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    768897 m   2206 rms  3.38 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    787861 m   2261 rms  3.39 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    797242 m   2287 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    816235 m   2354 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    827830 m   2390 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    854901 m   2466 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e   1016153 m   2940 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e   1033756 m   2988 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e   1093233 m   3137 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e   1133170 m   3259 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e   1151637 m   3327 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e   1219179 m   3384 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
difference  .00001  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64783 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184945 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204379 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207390 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226614 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232089 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234649 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240870 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260346 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299790 m    807 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305997 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    322483 m    883 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    335522 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    362314 m   1000 rms  2.22 %NC  53.3     ENERGY    -1.92181E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    363510 m   1006 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    384835 m   1074 rms  2.92 %NC  46.7     ENERGY    -1.92727E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    391793 m   1096 rms  2.80 %NC  53.3     ENERGY    -1.93239E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    392414 m   1099 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    404532 m   1144 rms  2.55 %NC  46.7     ENERGY    -1.99071E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    416731 m   1189 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    419337 m   1199 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    440488 m   1275 rms  2.55 %NC  46.7     ENERGY    -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    468781 m   1358 rms  2.22 %NC  53.3     ENERGY    -1.99143E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    479539 m   1402 rms  2.21 %NC  53.3     ENERGY    -1.99144E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    499899 m   1458 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    537891 m   1590 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    587697 m   1760 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    606308 m   1821 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    614018 m   1845 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    663409 m   2021 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    735448 m   2119 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    755993 m   2178 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    768897 m   2206 rms  3.38 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    787861 m   2261 rms  3.39 %NC  46.7     ENERGY    -2.00089E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    797242 m   2287 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    816235 m   2354 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    827830 m   2390 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    854901 m   2466 rms  3.38 %NC  46.7     ENERGY    -2.00090E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e   1016153 m   2940 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e   1033756 m   2988 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e   1093233 m   3137 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e   1133170 m   3259 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e   1151637 m   3327 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e   1219179 m   3384 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02