Monday, June 03 2024 03:49:59
UNRES
2.56s| Exit Value | 2 |
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1
JESTEM
JESTEM
JESTEM
indpdb= 33 pdbref= T
Call Read_Bridge.
ns= 0
Enter REGULARIZE: nnt= 2 nct= 21 nsup= 20
nstart_seq= 2 nstart_sup 2
Enter REGULARIZE: Initial RMS deviation: 0.00000
Regularization: pass: 1
Etot= 0.8510817213728750
Regularization: pass: 2
Etot= -5.958177643210469
Final minimization ...
Etot= -6.496056233638729
CG processor 0 is finishing work.
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
CRITICAL: energy is loo large 13.904960, ene= -7.354960
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Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
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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: [[20316,1],0]
Exit code: 2
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