Execution Time88.07s

Test: UNRES_CSA_local (Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI-E0LL2Y (miracle1.macierz) on 2017-02-18 04:03:39
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=            1  iseed=               -6119485
 MPI: node=            3  iseed=              -12238971
 MPI: node=            2  iseed=               -9179228
 MPI: node=            0  iseed=               -3059742
 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
 Processor           3           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
 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
 End of minim, proc           2 time    31.4760868549347     
 End of minim, proc           1 time    31.4761059284210     
 End of cycle, master time for           30  iters    31.4747018814087      
 sec, Eval/s    18628.3893079962     
 End of minim, proc           3 time    31.4815158843994     
 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
 End of minim, proc           3 time    49.4859800338745     
 End of minim, proc           1 time    49.4859988689423     
 End of cycle, master time for           15  iters    15.6023998260498      
 sec, Eval/s    18563.4904392352     
 End of minim, proc           2 time    49.4860210418701     
 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
 End of minim, proc           1 time    75.1125240325928     
 End of minim, proc           2 time    75.1125428676605     
 End of cycle, master time for           21  iters    23.1569271087646      
 sec, Eval/s    18584.5038065138     
 End of minim, proc           3 time    75.1125540733337     
 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
 End of minim, proc           2 time    85.5253579616547     
 End of minim, proc           3 time    85.5253789424896     
 End of minim, proc           1 time    85.5253980159760     
 End of cycle, master time for            7  iters    7.97536396980286      
 sec, Eval/s    18489.6890672746     
 UPDATING            3           4
 End of RUN, master time    85.5349550247192      sec, Eval/s 
   18563.1008929757     
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    153080 m    296 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    183136 m    400 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    189983 m    433 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    183136 m    400 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    189983 m    433 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    183136 m    400 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    189983 m    433 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    183136 m    400 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    189983 m    433 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02