Friday, November 01 2024 16:34:25
UNRES
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CTEST_FULL_OUTPUT forrtl: severe (67): input statement requires too much data, unit 80, file /tmp/cdash/devel/build/source/cluster/wham/src-HCD-5D/dfa/./distance Image PC Routine Line Source cluster_wham-mult 00000000004ABC0B Unknown Unknown Unknown cluster_wham-mult 00000000004CFA7A Unknown Unknown Unknown cluster_wham-mult 00000000004CD050 Unknown Unknown Unknown cluster_wham-mult 000000000047E24F Unknown Unknown Unknown cluster_wham-mult 0000000000440DBE Unknown Unknown Unknown cluster_wham-mult 0000000000404A22 Unknown Unknown Unknown libc-2.31.so 00007F41AE594083 __libc_start_main Unknown Unknown cluster_wham-mult 000000000040492E Unknown Unknown Unknown ********** Program terminated normally. ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 3368745 RUNNING AT dell15 = EXIT STATUS: 67 =================================================================================== THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.27236E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -5.25448E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -5.27201E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -5.25448E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -5.27198E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -5.25446E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -5.27195E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -5.25446E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -5.26972E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -5.25446E+02 RMS 0.00
