Appendix A: List of Error Messages

The following error messages (shown in English only) are possible when programming with ChemApp. Other languages are also available (see Table 6).

No error

0No error occurred

Errors during the initialisation stage

101The subroutine 'TQINI' must be called first
102The input/output file has not been opened
103The thermodynamic data-file could not be completely entered due to a read error
104A thermodynamic data-file must be read first
105The entered unit number is not permitted (expected value: <=10 or >=20)
106The entered language index is out of range
107The file cannot be opened
108The file cannot be closed
109The character string could not be written to the unit
150A transparent data-file must be read first
151The user ID is corrupt
152The user name is corrupt
153No proper user ID authorization to enter the data-file
154This version of ChemApp cannot write any data-files
155The checksum calculation indicates that the data-file is corrupt
156The size of the thermochemical system is different from what is specified in the header
157The thermodynamic data-file has reached its expiry date
158The program/library name is corrupt
159This program is not authorized to read this data-file
160The thermochemical system is too big for this version of ChemApp
161The magic bytes indicate that the file entered is not a transparent data-file
162The transparent file format version is unknown to this version of ChemApp
163No valid dongle found
164Dongle licensing information does not authorize the execution of this program

Errors in entered character options

201The entered option cannot be interpreted
202The entered stream identifier cannot be interpreted
203The entered option is not implemented
204Amount unit reset to mol (the molecular mass of a phase constituent is <=0)

Errors in entered names of components, phases, or constituents

301The character input contains more than 24 characters
302The character input is not uniquely abbreviated
303The character input is not a phase
304The character input is not a constituent of the entered phase
305The character input is not a system component
306The character input is not a phase constituent or a system component
307Names for a number of system components that is equal to that of the thermodynamic data-file have to be entered
308The entered system components are not linearly independent
309Status for the selected phase constituent cannot be changed
310Statuses for the constituents of a phase are inconsistent
311The character input is not a constituent of the entered sublattice

Errors in entered index numbers

401The entered system component index is out of range
402The entered phase index is out of range
403The entered phase constituent index is out of range
404The entered value of the variable NUMCON is false
405The total number of streams or stream constituents is out of range
406The entered sublattice index is out of range
407The entered sublattice constituent index is out of range

Errors in setting conditions

501'TQSETC' and 'TQSTCA' cannot be used interchangeably for setting conditions
502The entered option is not defined for system components
503The entered constituent amounts for streams must not be less than zero
504The entered option is not permitted, please use 'TQSTCA' or 'TQCE'
505Enter the lower and upper limits of the target variable in reverse order
506The lower and upper limits (VALS(1) and VALS(2)) must differ
507The upper limit (VALS(2)) must be greater than (or equal to) zero
508Enter input composition before executing the equilibrium calculation
509Enter a pressure > 0 before executing the equilibrium calculation
510Enter a temperature > 0 K before executing the equilibrium calculation
511Define a target before executing the equilibrium calculation
512Define a target variable before executing the equilibrium calculation
513Modify input composition before executing the equilibrium calculation
514Incoming amounts for metallic constituents of phases described by the two-sublattice ionic formalism and for constituents of phases described by the species chemical potential/bond energy formalism cannot be entered
515Target calculations are not permitted with ChemApp "light"
516Calculate a chemical equilibrium with "TQCE" before calling "TQCEN"

Errors when getting results

601Incoming amounts are not calculated for phases or the entire system
602Activities for the entire system are not defined
603Extensive properties for system components are not defined
604Fractions of system components are not permitted for phase indices <= 0
605Fractions of system components cannot be calculated
606Activities of system components cannot be calculated in this case
607Pair fractions are not available

Errors when calculating the chemical equilibrium composition

701Equilibrium composition not obtained; all possible assemblies of phases were considered
702Equilibrium composition not obtained; 200 different assemblies of phases were considered
703Equilibrium composition not obtained; the reactant input cannot correspond to chemical equilibrium conditions
704Equilibrium composition not obtained; one reactant amount must be independent and different from zero
705Equilibrium composition not obtained; the mass balance equations cannot be solved
706Equilibrium composition not obtained; this constant volume calculation cannot be executed
707Target calculation aborted; the maximum number of iterations (99) is exceeded
708Target calculation aborted; reactant activities are not permitted
709Target calculation aborted; negative reactant amounts are not permitted
710Target calculation aborted; the entered phase cannot be target phase under the given conditions
711Target calculation aborted; no solution is found within the permitted interval
712Target calculation aborted; the value of the target variable is less than the lowest permitted
713Target calculation aborted; the value of the target variable is greater than the highest permitted

Errors returned from subroutines interfacing ChemApp to languages other than Fortran

901The file cannot be opened (changed to error no. 107 as of ChemApp V4.0.0)
902The file cannot be closed (changed to error no. 108 as of ChemApp V4.0.0)


ChemApp Programmer's Manual, Edition 3.6© GTT-Technologies, 2003