Execution Time0.27s

Test: UNRES_M_ENE_prota (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-19 04:28:36
Repository revision: 11a30d63a53082c984f22fcf36766666cbec2cc1


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Test 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.
--------------------------------------------------------------------------
 MPI: node=             0  iseed=                  -3059742
 indpdb=           23  pdbref=  T
    0.000000000000000         0.000000000000000     
           45           46           47
    1.975000000000001        -2.016999999999999     
    0.000000000000000         0.000000000000000     
           45           46           47
    1.975000000000001        -2.016999999999999     
           45           46           47
  -0.8720000000000000        -3.216000000000000     
           45           46           47
    3.169000000000000        0.4340000000000002     
 just before leave
    0.000000000000000         0.000000000000000     
            2            3            4
   0.9150000000000000        -1.552000000000000     
            2            3            4
    3.316000000000000         2.116000000000000     
            2            3            4
   -1.558000000000000         2.759000000000000     
 just before leave
           45           46           47
  -0.8720000000000000        -3.216000000000000     
           45           46           47
    3.169000000000000        0.4340000000000002     
 just before leave
    0.000000000000000         0.000000000000000     
            2            3            4
   0.9150000000000000        -1.552000000000000     
            2            3            4
    3.316000000000000         2.116000000000000     
            2            3            4
   -1.558000000000000         2.759000000000000     
 just before leave
 ns=            0
 Call Read_Bridge.
 ns=            0
 dc   -1.937654588194873     
 dc   -1.937654588194873        -1.719968594671886      
    1.386573293883002     
 after etotal
 after hairpin
 after secondary
 refstr=  T
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
 Total wall clock time   7.5770139694213867E-002  sec
 Processor            0  BROADCAST time   4.6086311340332031E-004  REDUCE time 
     0.000000000000000       order[            1 ]    0.000000000000000      
   1.7881393432617188E-005  GATHER time    0.000000000000000       SCATTER time
     0.000000000000000       SENDRECV    0.000000000000000       BARRIER ene 
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    0.000000000000000      
  order[            5 ]    0.000000000000000       order[            6 ] 
   3.3688545227050781E-004  BARRIER grad    0.000000000000000     
CG processor   0 is finishing work.
    0.000000000000000       order[            7 ]    0.000000000000000      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
OK: absdiff= 0, ene= -145.174200
OK: absdiff= 0, ene= -145.174200
[dell15:171493] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:171493] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages