Running the methylformate example (with pressure dependence removed) we run into this error:
Chemkin file contains 870 reactions.
Conducting simulation of reaction system 1...
At time 2.0000e-15 s, species Mofml(55) exceeded the minimum rate for moving to model core
Characteristic rate: 6.1032e-09 mol/m^3*s
Mofml(55) rate: 1.2569e-09 mol/m^3*s (0.2059)
At time 5.0000e-01 s, reached target termination time.
Conducting simulation of reaction system 2...
At time 5.8861e-25 s, species OjCHO(57) exceeded the minimum rate for moving to model core
Characteristic rate: 1.5320e+03 mol/m^3*s
OjCHO(57) rate: 4.8420e+01 mol/m^3*s (0.03161)
At time 9.4796e-04 s, species Fmoml(56) exceeded the minimum rate for simulation interruption
Characteristic rate: 3.0768e+03 mol/m^3*s
Fmoml(56) rate: 3.0878e+03 mol/m^3*s (1.004)
Conducting simulation of reaction system 3...
***MESSAGE FROM ROUTINE DDASSL IN LIBRARY SLATEC.
***POTENTIALLY RECOVERABLE ERROR, PROGRAM CONTINUES.
* AT T = 1.000000D-15 SOME ELEMENT OF WT HAS BECOME .LE. 0.0
* ERROR NUMBER = -3
*
***END OF MESSAGE
***MESSAGE FROM ROUTINE DDASSL IN LIBRARY SLATEC.
***FATAL ERROR, PROGRAM ABORTED.
* THE LAST STEP TERMINATED WITH A NEGATIVE VALUE OF IDID = -3 AND NO
* APPROPRIATE ACTION WAS TAKEN. RUN TERMINATED
* ERROR NUMBER = -998
*
***END OF MESSAGE
***JOB ABORT DUE TO FATAL ERROR.
Strangely, the error message is only saved in the RMG_backup.log file.
nb. this is on our "scoop" (parallel processing) branch.
Running the methylformate example (with pressure dependence removed) we run into this error:
Strangely, the error message is only saved in the RMG_backup.log file.
nb. this is on our "scoop" (parallel processing) branch.