Execution Time114.08s

Test: UNRES_CSA_local (Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI-E0LL2Y (miracle1.macierz) on 2017-06-03 04:04:31
Repository revision: 589a8f3e38b7ce802f8577e862e54849030a5556


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

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 
 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
  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=            1  iseed=               -6119485
 MPI: node=            2  iseed=               -9179228
 MPI: node=            3  iseed=              -12238971
 MPI: node=            0  iseed=               -3059742
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 Processor           1           0           0  ivec_start           1  ivec_end
          21
 ns=           0
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 Processor           2           0           0  ivec_start           1  ivec_end
          21
 Processor           3           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
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 End of minim, proc           1 time    35.7358658313751     
 End of minim, proc           3 time    35.7457549571991     
 End of cycle, master time for           33  iters    35.7415559291840      
 sec, Eval/s    18662.2821155741     
 End of minim, proc           2 time    35.7482068538666     
 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           2 time    66.2910239696503     
 End of minim, proc           1 time    66.3038389682770     
 End of cycle, master time for           26  iters    28.1876170635223      
 End of minim, proc           3 time    66.3282878398895     
 sec, Eval/s    18635.3461101816     
 UPDATING            3           4
 Exitted from make_ranvar nconfr=         100
 FEEDIN: NCONF=         100
 UPDATING           97          97
 UPDATING          100         100
 End of minim, proc           3 time    71.1864759922028     
 End of minim, proc           1 time    71.1876208782196     
 End of cycle, master time for            2  iters    2.39507198333740      
 sec, Eval/s    18652.4665274357     
 End of minim, proc           2 time    71.1883859634399     
 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    111.543699026108     
 End of minim, proc           1 time    111.543716907501     
 End of cycle, master time for           35  iters    37.9345569610596      
 End of minim, proc           3 time    111.550304889679     
 sec, Eval/s    18567.5293564922     
 UPDATING            3           4
 End of RUN, master time    111.559766054153      sec, Eval/s 
   18602.9791331096     
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