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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; 22045 arg vs 42 in filewrong number of coordinates in xdr3dfcoor; 22006 arg vs 42 in fileAt line 52 of file /tmp/cdash/devel/source/source/cluster/wham/src-HCD-5D/wrtclust.f (unit = 80, file = './distance') Fortran runtime error: File cannot be deleted Error termination. Backtrace: #0 0x7fc846c56d4a #1 0x7fc846c57859 #2 0x7fc846c5853f #3 0x7fc846e8b9b9 #4 0x55f34ed2db5a #5 0x55f34ecf5d50 #6 0x55f34ecc353e #7 0x7fc8468d0082 #8 0x55f34ecc356d #9 0xffffffffffffffff Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO STOP ********** Program terminated normally. =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 3549763 RUNNING AT dell15 = EXIT STATUS: 2 =================================================================================== THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.88719E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00998E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.51604E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.86048E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.59557E+00 AVE RMSD 4.73 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.95984E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.79408E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.38056E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.35101E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.63064E+00 RMS 3.96
