Tuesday, November 05 2024 05:38:33
UNRES
3.47s| Processors | [Graph]1 |
|---|
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CTEST_FULL_OUTPUT
indpdb= 0 pdbref= T
77
21 18 10 20 12 14 10 13 12 6 5 15 14 12 6 13 6 19 15 11
12 20 18 18 6 12 6 16 20 13 11 10 15 3 6 6 3 16 18 11
5 10 16 6 8 17 10 17 6 18 9 7 19 16 5 11 12 16 2 13
14 9 5 6 18 10 10 8 6 16 18 19 10 14 20 19 21
Call Read_Bridge.
Leaving brigde read
NNT= 1 NCT= 77
indpdb= 0 pdbref= T
77
21 18 10 20 12 14 10 13 12 6 5 15 14 12 6 13 6 19 15 11
12 20 18 18 6 12 6 16 20 13 11 10 15 3 6 6 3 16 18 11
5 10 16 6 8 17 10 17 6 18 9 7 19 16 5 11 12 16 2 13
14 9 5 6 18 10 10 8 6 16 18 19 10 14 20 19 21
Call Read_Bridge.
Leaving brigde read
NNT= 1 NCT= 77
ishiftca= 1 ilastca= 76
MAIN: nnt= 2 nct= 76
ishiftca= 1 ilastca= 76
MAIN: nnt= 2 nct= 76
Calculating RMS i= 100
End of distance computation
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
Calculating RMS i= 100
End of distance computation
At line 337 of file /tmp/cdash/homology/source/source/cluster/wham/src/main_clust.F (unit = 16, file = './dfa_clust000.xbin')
Fortran runtime error: File cannot be deleted
Error termination. Backtrace:
#0 0x7fe5e5c0bd4a
#1 0x7fe5e5c0c859
#2 0x7fe5e5c0d53f
#3 0x7fe5e5e409b9
#4 0x56148af48d5c
#5 0x56148af0d4de
#6 0x7fe5e5885082
#7 0x56148af0d50d
#8 0xffffffffffffffff
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 1 PID 848710 RUNNING AT dell15
= EXIT STATUS: 2
===================================================================================
THERE ARE 5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.91034E+01 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -3.73430E+01 RMS 0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.86642E+01 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -3.72574E+01 RMS 0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.86248E+01 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -3.69596E+01 RMS 0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.77482E+01 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -3.69029E+01 RMS 0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -3.75963E+01 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -3.69696E+01 RMS 0.00
