Execution Time109.11s

Test: UNRES_CSA_local (Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI (miracle1.macierz) on 2016-10-05 03:55:53
Repository revision: 6f0e7ef07e02a56fff97df63bd7f07d4b6fb50ce


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 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           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
Inside initializeInside initializeInside initializeInside initialize MPI: node=            3  iseed=              -12238971
 MPI: node=            1  iseed=               -6119485
 MPI: node=            2  iseed=               -9179228
 MPI: node=            0  iseed=               -3059742
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 Processor           1           0           0  ivec_start           1  ivec_end
          21
 Call Read_Bridge.
 ns=           0
 Processor           3           0           0  ivec_start           1  ivec_end
          21
 Processor           2           0           0  ivec_start           1  ivec_end
          21
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 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
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 End of minim, proc           2 time    35.6985359191895     
 End of minim, proc           1 time    35.7129590511322     
 End of cycle, master time for           33  iters    35.7067599296570      
 sec, Eval/s    18681.1965385292     
 End of minim, proc           3 time    35.7133350372314     
 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
 End of minim, proc           1 time    66.2373330593109     
 End of minim, proc           2 time    66.2478590011597     
 End of cycle, master time for           26  iters    28.1656830310822      
 sec, Eval/s    18650.5684744197     
 End of minim, proc           3 time    66.2735619544983     
 UPDATING            3           4
 Exitted from make_ranvar nconfr=         100
 FEEDIN: NCONF=         100
 UPDATING           97          97
 UPDATING          100         100
 End of minim, proc           3 time    71.1211869716644     
 End of minim, proc           2 time    71.1213889122009     
 End of cycle, master time for            2  iters    2.38993978500366      
 sec, Eval/s    18692.5211590348     
 End of minim, proc           1 time    71.1230938434601     
 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           3 time    104.190614938736     
 End of minim, proc           2 time    104.190631866455     
 End of cycle, master time for           28  iters    30.6469500064850      
 sec, Eval/s    18573.2348530458     
 End of minim, proc           1 time    104.192114830017     
 UPDATING            3           4
 End of RUN, master time    104.207468032837      sec, Eval/s 
   18619.1262164493     
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
Emin=  -200.13486
difference  0  from reference 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    153148 m    297 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    153148 m    297 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    153148 m    297 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    153148 m    297 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