Execution Time135.49s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2017-10-16 04:08:39
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            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 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
 Processor            3  out of            4  rank in CG_COMM            3 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            1  out of            4  rank in CG_COMM            1 
  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=             0  iseed=                  -3059742
 MPI: node=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 MPI: node=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 Call Read_Bridge.
 Call Read_Bridge.
 ns=            0
 ns=            0
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 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
 UPDATING            97           97
[dell15:87200] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:87200] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 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
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            2 time     43.99588179588318     
 End of minim, proc            1 time     43.99590301513672     
 End of cycle, master time for            33  iters     43.99215507507324      
 sec, Eval/s     14433.02786409226     
 End of minim, proc            3 time     43.99626588821411     
 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
 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     89.96938800811768     
 End of minim, proc            1 time     89.96941184997559     
 End of minim, proc            3 time     89.97988200187683     
 End of cycle, master time for            33  iters     43.01567506790161      
 sec, Eval/s     15300.21321206957     
 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     121.0072929859161     
 End of minim, proc            1 time     121.0073158740997     
 End of minim, proc            2 time     121.0129179954529     
 End of cycle, master time for            22  iters     28.00252413749695      
 sec, Eval/s     15290.40731819802     
 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
 End of minim, proc            1 time     132.0754969120026     
 End of minim, proc            2 time     132.0755279064178     
 End of minim, proc            3 time     132.0755529403687     
 End of cycle, master time for             6  iters     8.090477943420410      
 sec, Eval/s     15277.34218724601     
 UPDATING             3            4
 End of RUN, master time     132.0874180793762      sec, Eval/s  
    14995.44035912428     
CG processor   3 is finishing work.
CG processor   2 is finishing work.
CG processor   1 is finishing work.
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=  -200.13480
Emin=  -200.13480
Emin=  -200.13480
Emin=  -200.13480
difference  .00006  from reference emin -200.13486
difference  .00006  from reference emin -200.13486
difference  .00006  from reference emin -200.13486
difference  .00006  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     52275 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     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132118 m    254 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    132987 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    144133 m    295 rms  2.50 %NC  46.7     ENERGY    -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    154193 m    319 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    160998 m    346 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    164298 m    361 rms  2.51 %NC  53.3     ENERGY    -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    192800 m    445 rms  2.51 %NC  46.7     ENERGY    -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    194581 m    450 rms  2.51 %NC  46.7     ENERGY    -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    202071 m    479 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    220577 m    527 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    222421 m    539 rms  2.48 %NC  46.7     ENERGY    -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    260471 m    647 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    279086 m    721 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    316164 m    832 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    322121 m    848 rms  2.24 %NC  46.7     ENERGY    -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    355563 m    909 rms  2.24 %NC  46.7     ENERGY    -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    393811 m   1032 rms  2.23 %NC  53.3     ENERGY    -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    413594 m   1100 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    429559 m   1149 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    454425 m   1220 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    486161 m   1334 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    490215 m   1350 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    541081 m   1521 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    565566 m   1588 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    568422 m   1599 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    625651 m   1830 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    660823 m   1959 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    679738 m   2020 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1436341 m   4017 rms  3.38 %NC  46.7     ENERGY    -2.00132E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1455130 m   4057 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1461774 m   4072 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1469390 m   4101 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1507774 m   4194 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1573333 m   4396 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1817328 m   5019 rms  3.38 %NC  46.7     ENERGY    -2.00135E+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@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     52275 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     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132118 m    254 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    132987 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    144133 m    295 rms  2.50 %NC  46.7     ENERGY    -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    154193 m    319 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    160998 m    346 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    164298 m    361 rms  2.51 %NC  53.3     ENERGY    -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    192800 m    445 rms  2.51 %NC  46.7     ENERGY    -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    194581 m    450 rms  2.51 %NC  46.7     ENERGY    -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    202071 m    479 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    220577 m    527 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    222421 m    539 rms  2.48 %NC  46.7     ENERGY    -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    260471 m    647 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    279086 m    721 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    316164 m    832 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    322121 m    848 rms  2.24 %NC  46.7     ENERGY    -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    355563 m    909 rms  2.24 %NC  46.7     ENERGY    -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    393811 m   1032 rms  2.23 %NC  53.3     ENERGY    -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    413594 m   1100 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    429559 m   1149 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    454425 m   1220 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    486161 m   1334 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    490215 m   1350 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    541081 m   1521 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    565566 m   1588 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    568422 m   1599 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    625651 m   1830 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    660823 m   1959 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    679738 m   2020 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1436341 m   4017 rms  3.38 %NC  46.7     ENERGY    -2.00132E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1455130 m   4057 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1461774 m   4072 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1469390 m   4101 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1507774 m   4194 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1573333 m   4396 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1817328 m   5019 rms  3.38 %NC  46.7     ENERGY    -2.00135E+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@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     52275 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     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132118 m    254 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    132987 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    144133 m    295 rms  2.50 %NC  46.7     ENERGY    -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    154193 m    319 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    160998 m    346 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    164298 m    361 rms  2.51 %NC  53.3     ENERGY    -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    192800 m    445 rms  2.51 %NC  46.7     ENERGY    -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    194581 m    450 rms  2.51 %NC  46.7     ENERGY    -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    202071 m    479 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    220577 m    527 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    222421 m    539 rms  2.48 %NC  46.7     ENERGY    -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    260471 m    647 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    279086 m    721 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    316164 m    832 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    322121 m    848 rms  2.24 %NC  46.7     ENERGY    -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    355563 m    909 rms  2.24 %NC  46.7     ENERGY    -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    393811 m   1032 rms  2.23 %NC  53.3     ENERGY    -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    413594 m   1100 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    429559 m   1149 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    454425 m   1220 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    486161 m   1334 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    490215 m   1350 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    541081 m   1521 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    565566 m   1588 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    568422 m   1599 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    625651 m   1830 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    660823 m   1959 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    679738 m   2020 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1436341 m   4017 rms  3.38 %NC  46.7     ENERGY    -2.00132E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1455130 m   4057 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1461774 m   4072 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1469390 m   4101 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1507774 m   4194 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1573333 m   4396 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1817328 m   5019 rms  3.38 %NC  46.7     ENERGY    -2.00135E+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@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     52275 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     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132118 m    254 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    132987 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    144133 m    295 rms  2.50 %NC  46.7     ENERGY    -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    154193 m    319 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    160998 m    346 rms  2.50 %NC  46.7     ENERGY    -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    164298 m    361 rms  2.51 %NC  53.3     ENERGY    -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    192800 m    445 rms  2.51 %NC  46.7     ENERGY    -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    194581 m    450 rms  2.51 %NC  46.7     ENERGY    -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    202071 m    479 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    220577 m    527 rms  2.51 %NC  46.7     ENERGY    -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    222421 m    539 rms  2.48 %NC  46.7     ENERGY    -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    260471 m    647 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    279086 m    721 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    316164 m    832 rms  2.48 %NC  46.7     ENERGY    -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    322121 m    848 rms  2.24 %NC  46.7     ENERGY    -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    355563 m    909 rms  2.24 %NC  46.7     ENERGY    -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    393811 m   1032 rms  2.23 %NC  53.3     ENERGY    -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    413594 m   1100 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    429559 m   1149 rms  2.22 %NC  53.3     ENERGY    -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    454425 m   1220 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    486161 m   1334 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    490215 m   1350 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    541081 m   1521 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    565566 m   1588 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    568422 m   1599 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    625651 m   1830 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    660823 m   1959 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    679738 m   2020 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1436341 m   4017 rms  3.38 %NC  46.7     ENERGY    -2.00132E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1455130 m   4057 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1461774 m   4072 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1469390 m   4101 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1507774 m   4194 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1573333 m   4396 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1817328 m   5019 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02