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 |
Online Documentation Table of Contents ORTEP-III Home Page
Page last revised: May 6, 1996