Execution Time1.27s

Test: UNRES_M_DOCK_cluster (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-17 04:27:31
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

Exit Value2

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Test output
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.

The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.

  Local host: dell15
--------------------------------------------------------------------------
 indpdb=            0  pdbref=  F
           49
  10   6   6  16  12   1   1  18  14  12   1  12   3  12  11   5  18   9   8   1
  16  12  25  25  14  12   5  18   9   1  10  20   9   5   2  16   2   5  18   6
   9   1  20  14  10   3  14  12  25
 Call Read_Bridge.
 ns=            0
 NNT=            1  NCT=           49
Warning: ieee_inexact is signaling
FORTRAN STOP
 indpdb=            0  pdbref=  F
           49
  10   6   6  16  12   1   1  18  14  12   1  12   3  12  11   5  18   9   8   1
  16  12  25  25  14  12   5  18   9   1  10  20   9   5   2  16   2   5  18   6
   9   1  20  14  10   3  14  12  25
 Call Read_Bridge.
 ns=            0
 NNT=            1  NCT=           49
Warning: ieee_inexact is signaling
FORTRAN STOP
--------------------------------------------------------------------------
mpirun has exited due to process rank 1 with PID 0 on
node dell15 exiting improperly. There are three reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

3. this process called "MPI_Abort" or "orte_abort" and the mca parameter
orte_create_session_dirs is set to false. In this case, the run-time cannot
detect that the abort call was an abnormal termination. Hence, the only
error message you will receive is this one.

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).

You can avoid this message by specifying -quiet on the mpirun command line.
--------------------------------------------------------------------------
[dell15:166688] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:166688] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
CRITICAL: out wham_T280K_ave.pdb does not exist