Execution Time118.06s

Test: UNRES_CSA_local (Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI (miracle1.macierz) on 2017-07-27 03:54:29
Repository revision: 589a8f3e38b7ce802f8577e862e54849030a5556


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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
Inside initializeInside initialize           0  size of FG_COMM1           1
Inside initializeInside initialize MPI: node=            2  iseed=               -9179228
 MPI: node=            0  iseed=               -3059742
 MPI: node=            1  iseed=               -6119485
 indpdb=           0  pdbref= F
 MPI: node=            3  iseed=              -12238971
 Call Read_Bridge.
 ns=           0
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 Processor           2           0           0  ivec_start           1  ivec_end
 ns=           0
          21
 Processor           0           0           0  ivec_start           1  ivec_end
          21
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 Processor           3           0           0  ivec_start           1  ivec_end
          21
 Call Read_Bridge.
 ns=           0
 Processor           1           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           1 time    30.7515230178833     
 End of minim, proc           3 time    30.7515370845795     
 End of cycle, master time for           28  iters    30.7470500469208      
 End of minim, proc           2 time    30.7535901069641     
 sec, Eval/s    18325.9857170080     
 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
 End of minim, proc           1 time    50.0210289955139     
 End of minim, proc           2 time    50.0210440158844     
 End of cycle, master time for           16  iters    16.8626079559326      
 sec, Eval/s    18501.1120945998     
 End of minim, proc           3 time    50.0210759639740     
 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
 End of minim, proc           3 time    77.5520620346069     
 End of minim, proc           1 time    77.5520799160004     
 End of cycle, master time for           23  iters    25.0554239749908      
 End of minim, proc           2 time    77.5540900230408     
 sec, Eval/s    18520.7801896783     
 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           3 time    115.517200946808     
 End of cycle, master time for           33  iters    35.5186469554901      
 sec, Eval/s    18416.5517571578     
 End of minim, proc           1 time    115.517230987549     
 End of minim, proc           2 time    115.517233133316     
 UPDATING            3           4
 End of RUN, master time    115.526474952698      sec, Eval/s 
   18416.8866995306     
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
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
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