Saturday, September 28 2024 17:38:24
UNRES
33.03s| Exit Value | 1 |
|---|
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[dell15:26404] [[51095,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:26404] [[51095,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
2
2
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
Total wall clock time 31.82587858662009 sec
Processor 0 BROADCAST time 0.5534416176378727 REDUCE time
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.1680446974933147 order[ 1 ] 0.2474641464650631
1.970907676964998 GATHER time 0.000000000000000 SCATTER time
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 1.774259608238935
0.3005772083997726 SENDRECV 0.000000000000000 BARRIER ene
0.2630747258663177 BARRIER grad 0.2426359876990318
order[ 5 ] 0.000000000000000 order[ 6 ]
CG processor 0 is finishing work.
0.000000000000000 order[ 7 ] 0.4950491264462471
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
average total energy 79.6052
standard deviation 0.000629652
average total energy 79.6052
standard deviation 0.000629652
difference 5.3429 from reference ave etot 74.2623 greater than 5.0
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
difference 5.3429 from reference ave etot 74.2623 greater than 5.0
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[51095,1],0]
Exit code: 1
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