Execution Time515.60s

Test: UNRES_CSA_local_E0LL2Y (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (dell15) on 2024-03-01 03:25:04
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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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=            2  iseed=              -9179228
 MPI: node=            3  iseed=             -12238971
 MPI: node=            0  iseed=              -3059742
 MPI: node=            1  iseed=              -6119485
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 indpdb=           0  pdbref= F
 Call Read_Bridge.
 ns=           0
 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           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
 End of minim, proc           2 time    97.616329193115234     
 End of minim, proc           3 time    97.620368003845215     
 End of cycle, master time for           29  iters    97.619084119796753      sec, Eval/s    10112.315731098004     
 End of minim, proc           1 time    97.629580020904541     
 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
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 UPDATING          100         100
 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    331.87719607353210     
 End of minim, proc           1 time    331.87724614143372     
 End of cycle, master time for           53  iters    226.36443495750427      sec, Eval/s    8281.0358453699173     
 End of minim, proc           2 time    331.91252517700195     
 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    507.22980117797852     
 End of cycle, master time for           28  iters    159.23233008384705      sec, Eval/s    6220.0182555795664     
 End of minim, proc           1 time    507.22985601425171     
 End of minim, proc           3 time    507.23194193840027     
 UPDATING            3           4
 End of RUN, master time    507.24074912071228      sec, Eval/s    7900.2939076693492     
CG processor   0 is finishing work.
CG processor   2 is finishing work.
CG processor   1 is finishing work.
CG processor   3 is finishing work.
STOP Bye Bye...
STOP STOP Bye Bye...Bye Bye...
STOP Bye Bye...

Emin=  31.50624
Emin=  31.50624
Emin=  31.50624
Emin=  31.50624
difference  .02053  from reference emin 31.52677
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
difference  .02053  from reference emin 31.52677
difference  .02053  from reference emin 31.52677
difference  .02053  from reference emin 31.52677
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
grep: 1l2y_csa_local_4P*.pdb: No such file or directory