Execution Time183.29s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-04 04:10:46
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=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
[dell15:130307] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:130307] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING           100          100
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 End of minim, proc            3 time     46.44648599624634     
 End of minim, proc            2 time     46.44700717926025     
 End of cycle, master time for            34  iters     46.44680619239807      
 sec, Eval/s     14253.57423409566     
 End of minim, proc            1 time     46.45110988616943     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 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
 End of minim, proc            2 time     95.11494612693787     
 End of minim, proc            1 time     95.11499905586243     
 End of cycle, master time for            27  iters     45.67777991294861      
 sec, Eval/s     11774.98120585170     
 End of minim, proc            3 time     95.12089705467224     
 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
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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
 End of minim, proc            2 time     140.1860620975494     
 End of minim, proc            3 time     140.1861300468445     
 End of cycle, master time for            23  iters     41.10131502151489      
 sec, Eval/s     11569.48384135845     
 End of minim, proc            1 time     140.2106719017029     
 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
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     179.8319349288940     
 End of minim, proc            2 time     179.8319690227509     
 End of minim, proc            1 time     179.8355820178986     
 End of cycle, master time for            25  iters     36.04924511909485      
 sec, Eval/s     13931.05454333047     
 UPDATING             3            4
 End of RUN, master time     179.8402371406555      sec, Eval/s  
    12863.98437181002     
CG processor   0 is finishing work.
CG processor   2 is finishing work.
CG processor   3 is finishing work.
CG processor   1 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=  -200.00128
Emin=  -200.00128
Emin=  -200.00128
Emin=  -200.00128
difference  .13358  from reference emin -200.13486
difference  .13358  from reference emin -200.13486
difference  .13358  from reference emin -200.13486
difference  .13358  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     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 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    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 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    184673 m    430 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    210133 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    227036 m    561 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    239282 m    600 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    239856 m    602 rms  2.13 %NC  53.3     ENERGY    -1.99552E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    250000 m    640 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    255779 m    658 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    275314 m    734 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    281057 m    762 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    295483 m    803 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    300646 m    825 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    361316 m   1013 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    422299 m   1221 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    462577 m   1365 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    489857 m   1464 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    502902 m   1511 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    519103 m   1566 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    537993 m   1626 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    549861 m   1663 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    575836 m   1744 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    689223 m   2156 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    706959 m   2217 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1733943 m   4914 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 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    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 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    184673 m    430 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    210133 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    227036 m    561 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    239282 m    600 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    239856 m    602 rms  2.13 %NC  53.3     ENERGY    -1.99552E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    250000 m    640 rms  2.13 %NC  53.3     ENERGY    -1.99555E+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@024.pdb:REMARK GM 24 e    255779 m    658 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@025.pdb:REMARK GM 25 e    275314 m    734 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@026.pdb:REMARK GM 26 e    281057 m    762 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    295483 m    803 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    300646 m    825 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 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@029.pdb:REMARK GM 29 e    361316 m   1013 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    422299 m   1221 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@031.pdb:REMARK GM 31 e    462577 m   1365 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@032.pdb:REMARK GM 32 e    489857 m   1464 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    502902 m   1511 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@034.pdb:REMARK GM 34 e    519103 m   1566 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    537993 m   1626 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    549861 m   1663 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@037.pdb:REMARK GM 37 e    575836 m   1744 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184673 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    689223 m   2156 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    706959 m   2217 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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    210133 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1733943 m   4914 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    227036 m    561 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    239282 m    600 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    239856 m    602 rms  2.13 %NC  53.3     ENERGY    -1.99552E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    250000 m    640 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    255779 m    658 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    275314 m    734 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    281057 m    762 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    295483 m    803 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    300646 m    825 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    361316 m   1013 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    422299 m   1221 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    462577 m   1365 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    489857 m   1464 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    502902 m   1511 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@034.pdb:REMARK GM 34 e    519103 m   1566 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    537993 m   1626 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@036.pdb:REMARK GM 36 e    549861 m   1663 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    575836 m   1744 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@038.pdb:REMARK GM 38 e    689223 m   2156 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    706959 m   2217 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@040.pdb:REMARK GM 40 e   1733943 m   4914 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 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    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 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    184673 m    430 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    210133 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    227036 m    561 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    239282 m    600 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    239856 m    602 rms  2.13 %NC  53.3     ENERGY    -1.99552E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    250000 m    640 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    255779 m    658 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    275314 m    734 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    281057 m    762 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    295483 m    803 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    300646 m    825 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    361316 m   1013 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    422299 m   1221 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    462577 m   1365 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    489857 m   1464 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    502902 m   1511 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    519103 m   1566 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    537993 m   1626 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    549861 m   1663 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    575836 m   1744 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    689223 m   2156 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    706959 m   2217 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e   1733943 m   4914 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02