Execution Time126.29s

Test: UNRES_CSA_local (Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI (miracle1.macierz) on 2016-11-17 03:55:25
Repository revision: 6f0e7ef07e02a56fff97df63bd7f07d4b6fb50ce


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 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
 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
           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
           0  size of FG_COMM1           1
Inside initializeInside initializeInside initializeInside initialize MPI: node=            1  iseed=               -6119485
 MPI: node=            3  iseed=              -12238971
 MPI: node=            0  iseed=               -3059742
 MPI: node=            2  iseed=               -9179228
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Processor           3           0           0  ivec_start           1  ivec_end
          21
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 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
 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    30.3578701019287     
 End of minim, proc           3 time    30.3578870296478     
 End of cycle, master time for           28  iters    30.3514399528503      
 End of minim, proc           1 time    30.3579099178314     
 sec, Eval/s    18605.5423030092     
 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
 End of minim, proc           2 time    62.2959599494934     
 End of minim, proc           1 time    62.2959759235382     
 End of cycle, master time for           28  iters    29.5486791133881      
 sec, Eval/s    18547.0896312144     
 End of minim, proc           3 time    62.3138489723206     
 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
 End of minim, proc           1 time    90.1156139373779     
 End of minim, proc           2 time    90.1156311035156     
 End of cycle, master time for           24  iters    25.3253328800201      
 sec, Eval/s    18526.6271611442     
 End of minim, proc           3 time    90.1164119243622     
 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
 End of minim, proc           1 time    123.722313880920     
 End of minim, proc           2 time    123.722327947617     
 End of cycle, master time for           29  iters    31.1752200126648      
 sec, Eval/s    18449.9419656488     
 End of minim, proc           3 time    123.729380130768     
 UPDATING            3           4
 End of RUN, master time    123.738917827606      sec, Eval/s 
   18515.8803731581     
CG processor   0 is finishing work.
CG processor   1 is finishing work.
CG processor   2 is finishing work.
CG processor   3 is finishing work.
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5518 m      1 rms  2.55 %NC  53.3     ENERGY    -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6765 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19843 m      5 rms  3.48 %NC  46.7     ENERGY    -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     55499 m     24 rms  2.40 %NC  46.7     ENERGY    -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     72041 m     69 rms  2.40 %NC  46.7     ENERGY    -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     72548 m     71 rms  2.41 %NC  46.7     ENERGY    -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     73144 m     73 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     98589 m    141 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    103700 m    156 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    111656 m    184 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    121484 m    201 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134597 m    245 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    144912 m    270 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    148825 m    282 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153080 m    296 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    172190 m    363 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5518 m      1 rms  2.55 %NC  53.3     ENERGY    -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6765 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19843 m      5 rms  3.48 %NC  46.7     ENERGY    -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     55499 m     24 rms  2.40 %NC  46.7     ENERGY    -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     72041 m     69 rms  2.40 %NC  46.7     ENERGY    -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     72548 m     71 rms  2.41 %NC  46.7     ENERGY    -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     73144 m     73 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     98589 m    141 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    103700 m    156 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    111656 m    184 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    121484 m    201 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134597 m    245 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    144912 m    270 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    148825 m    282 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153080 m    296 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    172190 m    363 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5518 m      1 rms  2.55 %NC  53.3     ENERGY    -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6765 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19843 m      5 rms  3.48 %NC  46.7     ENERGY    -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     55499 m     24 rms  2.40 %NC  46.7     ENERGY    -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     72041 m     69 rms  2.40 %NC  46.7     ENERGY    -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     72548 m     71 rms  2.41 %NC  46.7     ENERGY    -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     73144 m     73 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     98589 m    141 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    103700 m    156 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    111656 m    184 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    121484 m    201 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134597 m    245 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    144912 m    270 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    148825 m    282 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153080 m    296 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    172190 m    363 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
Emin=  -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5518 m      1 rms  2.55 %NC  53.3     ENERGY    -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6765 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19843 m      5 rms  3.48 %NC  46.7     ENERGY    -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     55499 m     24 rms  2.40 %NC  46.7     ENERGY    -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     72041 m     69 rms  2.40 %NC  46.7     ENERGY    -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     72548 m     71 rms  2.41 %NC  46.7     ENERGY    -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     73144 m     73 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     98589 m    141 rms  3.39 %NC  46.7     ENERGY    -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    103700 m    156 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    111656 m    184 rms  3.40 %NC  46.7     ENERGY    -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    121484 m    201 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134597 m    245 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    144912 m    270 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    148825 m    282 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153080 m    296 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    172190 m    363 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02