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 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
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
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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
[dell15:46697] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:46697] 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
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
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 66.92293691635132
End of minim, proc 2 time 66.92640995979309
End of minim, proc 3 time 66.93409204483032
End of cycle, master time for 45 iters 66.92664098739624
sec, Eval/s 13233.22053719666
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 1 time 104.9914638996124
End of cycle, master time for 22 iters 34.65080189704895
sec, Eval/s 13258.27902525759
End of minim, proc 3 time 104.9914939403534
End of minim, proc 2 time 104.9915471076965
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
End of minim, proc 3 time 111.7325060367584
End of minim, proc 1 time 111.7325470447540
End of minim, proc 2 time 111.7353441715240
End of cycle, master time for 2 iters 3.234891891479492
sec, Eval/s 13277.72347296457
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
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 169.0883681774139
End of cycle, master time for 35 iters 53.90376091003418
sec, Eval/s 13183.40293891656
End of minim, proc 1 time 169.0884239673615
End of minim, proc 3 time 169.0884230136871
UPDATING 3 4
End of RUN, master time 169.0976090431213 sec, Eval/s
13214.26726637030
CG processor 3 is finishing work.
CG processor 1 is finishing work.
CG processor 2 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= -200.13482
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 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 19250 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 64942 m 51 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 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85901 m 108 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232157 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296229 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315491 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336174 m 946 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 338925 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 376379 m 1065 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 384887 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 407321 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413822 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 417984 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 439384 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 446120 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 453371 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 457665 m 1331 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 508673 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 530566 m 1546 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 535916 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 563681 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 582453 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 596284 m 1756 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 618162 m 1831 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 626620 m 1868 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 643728 m 1933 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 652922 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 655525 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 674898 m 2031 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 693575 m 2098 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 694311 m 2104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 735488 m 2239 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 756047 m 2300 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 849260 m 2654 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 19250 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 64942 m 51 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 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85901 m 108 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232157 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296229 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315491 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336174 m 946 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 338925 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 376379 m 1065 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 384887 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 407321 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413822 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 417984 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 439384 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 446120 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 453371 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 457665 m 1331 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 508673 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 530566 m 1546 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 535916 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 563681 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 582453 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 596284 m 1756 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 618162 m 1831 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 626620 m 1868 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 643728 m 1933 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 652922 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 655525 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 674898 m 2031 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 693575 m 2098 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 694311 m 2104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 735488 m 2239 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 756047 m 2300 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 849260 m 2654 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 19250 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 64942 m 51 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 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85901 m 108 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232157 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296229 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315491 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336174 m 946 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 338925 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 376379 m 1065 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 384887 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 407321 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413822 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 417984 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 439384 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 446120 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 453371 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 457665 m 1331 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 508673 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 530566 m 1546 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 535916 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 563681 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 582453 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 596284 m 1756 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 618162 m 1831 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 626620 m 1868 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 643728 m 1933 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 652922 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 655525 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 674898 m 2031 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 693575 m 2098 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 694311 m 2104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 735488 m 2239 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 756047 m 2300 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 849260 m 2654 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 19250 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 64942 m 51 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 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85901 m 108 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232157 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296229 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315491 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336174 m 946 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 338925 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 376379 m 1065 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 384887 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 407321 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413822 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 417984 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 439384 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 446120 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 453371 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 457665 m 1331 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 508673 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 530566 m 1546 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 535916 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 563681 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 582453 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 596284 m 1756 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 618162 m 1831 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 626620 m 1868 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 643728 m 1933 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 652922 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 655525 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 674898 m 2031 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 693575 m 2098 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 694311 m 2104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 735488 m 2239 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 756047 m 2300 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 849260 m 2654 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
173.34s
Show Command Line
Show Test Time Graph
