ORTEP-III Online Documentation
Fault Indicators


ORTEP checks for certain exceptional situations, and when one of these occurs, a fault message, "FAULT NG = NG ADC m" is written in the ORTEP output file. NG is the fault indicator number and ADC and m identify the atom code and the instruction involved (if these are relevant). If necessary and possible, corrective measures are made by ORTEP and the calculation proceeds; otherwise, the job is terminated by calling subroutine EXITNG.

NG Subroutine Involved Fault Action
1 PRELIM No sentinel found after reading 96 symmetry cards Tries to read parameter cards
2 PRELIM No sentinel found after reading the parameter cards for 505 atoms Tries to read instruction cards
3 PRELIM Anisotropic temperature factor coefficients form a matrix which is not positive definite EXIT, after printing out all rms principal values (imaginary ones are listed negative)
4 ATOM, PAXES Symmetry operation number is higher than the number of input operations Omit atom
5 ATOM, PAXES Atom number is higher than the number of input atoms Omit atom
6 EIGEN Null temperature factor matrix or failure in bisection routine EXIT, after printing out all principal values
7 EIGEN Eigenvector routine failure due to null vector EXIT, after printing out all principal values
8 INITSC Error initializing screen driver EXIT
9 MAIN, SPARE Unidentified instruction number Omit faulty instruction
10 BOND, F700 Atom out of bounds Omit atom
11 F800 No vector search codes Omit instruction
12 F600, SEARCH Insufficient number of atoms in ATOMS array EXIT
13 BOND Imaginary bond intersection (i.e., bond larger than atom) Omit bond
14 BOND Hidden (end-on) bond Omit bond
15 F900 Null vector as base line Omit label
16 STORE ATOMS array is full Omit all succeeding atoms
17 LAP700, LAPAB Maximum number of overlapping atoms (20) exceeded Additional atoms not corrected for overlap
18 LAP800, LAPAB Maximum number of overlapping bonds (30) exceeded Additional bonds not corrected for overlap


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Page last revised: May 6, 1996