Execution Time164.63s

Test: UNRES_CSA_local (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-02-20 04:20:49
Repository revision: e26610dc1d9f408822f8530f2dca7a04fc36c637


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
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 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            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
 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
Inside initializeInside initializeInside initializeInside initialize MPI: node=             0  iseed=                  -3059742
 MPI: node=             2  iseed=                  -9179228
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 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
[dell15:83406] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:83406] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 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     41.15591502189636     
 End of minim, proc            1 time     41.15645098686218     
 End of minim, proc            3 time     41.16241884231567     
 End of cycle, master time for            30  iters     41.15757083892822      
 sec, Eval/s     14216.09653032760     
 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            1 time     83.66390299797058     
 End of minim, proc            2 time     83.66427707672119     
 End of minim, proc            3 time     83.69463896751404     
 End of cycle, master time for            28  iters     39.35834884643555      
 sec, Eval/s     14199.85889602721     
 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
 End of minim, proc            3 time     117.7506740093231     
 End of minim, proc            2 time     117.7507050037384     
 End of minim, proc            1 time     117.7507250308990     
 End of cycle, master time for            22  iters     30.69969582557678      
 sec, Eval/s     14198.08855685334     
 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
 End of minim, proc            2 time     161.1048789024353     
 End of minim, proc            1 time     161.1049110889435     
 End of minim, proc            3 time     161.1522338390350     
 End of cycle, master time for            29  iters     40.24983000755310      
 sec, Eval/s     14204.73079992413     
 UPDATING             3            4
 End of RUN, master time     161.1563789844513      sec, Eval/s  
    14189.67101650150     
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   2 is finishing work.
CG processor   0 is finishing work.
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.13487
Emin=  -200.13487
Emin=  -200.13487
Emin=  -200.13487
difference  .00001  from reference emin -200.13486
difference  .00001  from reference emin -200.13486
difference  .00001  from reference emin -200.13486
difference  .00001  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4488 m      1 rms  2.29 %NC  46.7     ENERGY    -1.79207E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6904 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87310E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     14132 m      4 rms  2.32 %NC  46.7     ENERGY    -1.88095E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     53299 m     21 rms  2.38 %NC  46.7     ENERGY    -1.88477E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     54339 m     23 rms  2.32 %NC  46.7     ENERGY    -1.88497E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     60728 m     37 rms  2.39 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     78578 m     96 rms  2.40 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e    113869 m    199 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    145706 m    304 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    149639 m    321 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    184015 m    439 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    224588 m    564 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    263409 m    676 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    302330 m    809 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    339244 m    941 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    359430 m   1018 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    418086 m   1224 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4488 m      1 rms  2.29 %NC  46.7     ENERGY    -1.79207E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6904 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87310E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     14132 m      4 rms  2.32 %NC  46.7     ENERGY    -1.88095E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     53299 m     21 rms  2.38 %NC  46.7     ENERGY    -1.88477E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     54339 m     23 rms  2.32 %NC  46.7     ENERGY    -1.88497E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     60728 m     37 rms  2.39 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     78578 m     96 rms  2.40 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e    113869 m    199 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    145706 m    304 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    149639 m    321 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    184015 m    439 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    224588 m    564 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    263409 m    676 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    302330 m    809 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    339244 m    941 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    359430 m   1018 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    418086 m   1224 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4488 m      1 rms  2.29 %NC  46.7     ENERGY    -1.79207E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6904 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87310E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     14132 m      4 rms  2.32 %NC  46.7     ENERGY    -1.88095E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     53299 m     21 rms  2.38 %NC  46.7     ENERGY    -1.88477E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     54339 m     23 rms  2.32 %NC  46.7     ENERGY    -1.88497E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     60728 m     37 rms  2.39 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     78578 m     96 rms  2.40 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e    113869 m    199 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    145706 m    304 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    149639 m    321 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    184015 m    439 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    224588 m    564 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    263409 m    676 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    302330 m    809 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    339244 m    941 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    359430 m   1018 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    418086 m   1224 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4488 m      1 rms  2.29 %NC  46.7     ENERGY    -1.79207E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6904 m      2 rms  2.39 %NC  46.7     ENERGY    -1.87310E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     14132 m      4 rms  2.32 %NC  46.7     ENERGY    -1.88095E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     53299 m     21 rms  2.38 %NC  46.7     ENERGY    -1.88477E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     54339 m     23 rms  2.32 %NC  46.7     ENERGY    -1.88497E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     60728 m     37 rms  2.39 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     78578 m     96 rms  2.40 %NC  46.7     ENERGY    -1.96282E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e    113869 m    199 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e    145706 m    304 rms  2.41 %NC  46.7     ENERGY    -1.96677E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    149639 m    321 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    184015 m    439 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    224588 m    564 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    263409 m    676 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    302330 m    809 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    339244 m    941 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    359430 m   1018 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    418086 m   1224 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02