Friday, November 01 2024 10:40:22
UNRES
1.12s| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT
indpdb= 0 pdbref= T
22
21 14 5 8 4 13 7 5 19 16 10 10 20 12 12 10 18 20 20 20
12 21
Call Read_Bridge.
Leaving brigde read
NNT= 1 NCT= 22
MAIN: nnt= 2 nct= 21
indpdb= 0 pdbref= T
22
21 14 5 8 4 13 7 5 19 16 10 10 20 12 12 10 18 20 20 20
12 21
Call Read_Bridge.
Leaving brigde read
NNT= 1 NCT= 22
MAIN: nnt= 2 nct= 21
Calculating RMS i= 100
Calculating RMS i= 100
Calculating RMS i= 200
Calculating RMS i= 200
Calculating RMS i= 300
Calculating RMS i= 300
Calculating RMS i= 400
Calculating RMS i= 500
End of distance computation
Calculating RMS i= 400
Calculating RMS i= 500
End of distance computation
At line 47 of file /tmp/cdash/homology/source/source/cluster/wham/src/wrtclust.f (unit = 80, file = '.distance')
Fortran runtime error: File cannot be deleted
Error termination. Backtrace:
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
#0 0x7f1ff10c8d4a
#1 0x7f1ff10c9859
#2 0x7f1ff10ca53f
#3 0x7f1ff12fd9b9
#4 0x55cbe7bea6b3
#5 0x55cbe7bc3cd1
#6 0x55cbe7b874de
#7 0x7f1ff0d42082
#8 0x55cbe7b8750d
#9 0xffffffffffffffff
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 1 PID 3771027 RUNNING AT dell15
= EXIT STATUS: 2
===================================================================================
THERE ARE 5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.63351E+00 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.18055E+00 RMS 2.81
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.49023E+00 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.17937E+00 RMS 2.35
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.39328E+00 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.17917E+00 RMS 3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.33458E+00 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.17823E+00 RMS 3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.95486E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.17082E+00 RMS 4.94
