startTime=0 stopTime=1 tolerance=1e-06 numberOfIntervals=2500 stepSize=0.0004 Regular simulation: ./Chemical_Chemical.Examples.AcidBase.WaterSelfIonization -abortSlowSimulation -alarm=480 -lv LOG_STATS assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O_.SelfClustering_K * DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) + DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O_.SelfClustering_K * DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) + DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O_.SelfClustering_K * DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) + DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O_.SelfClustering_K * DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) + DIVISION(H2O_.solution.n, H2O_.amountOfBaseMolecules) ^ 2.0) stdout | warning | While solving non-linear system an assertion failed during initialization. | | | | | The non-linear solver tries to solve the problem that could take some time. | | | | | It could help to provide better start-values for the iteration variables. | | | | | For more information simulate with -lv LOG_NLS assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O.SelfClustering_K * DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) + DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O.SelfClustering_K * DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) + DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O.SelfClustering_K * DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) + DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) ^ 2.0) assert | debug | division leads to inf or nan at time 0, (a=-1.93468) / (b=0), where divisor b is: sqrt(4.0 * H2O.SelfClustering_K * DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) + DIVISION(H2O.solution.n, H2O.amountOfBaseMolecules) ^ 2.0) stdout | warning | While solving non-linear system an assertion failed during initialization. | | | | | The non-linear solver tries to solve the problem that could take some time. | | | | | It could help to provide better start-values for the iteration variables. | | | | | For more information simulate with -lv LOG_NLS stdout | info | The initialization finished successfully without homotopy method. assert | debug | division leads to inf or nan at time 0.0002, (a=0) / (b=-0), where divisor b is: OH_.q + H_.q stdout | warning | Integrator attempt to handle a problem with a called assert. assert | debug | division leads to inf or nan at time 8.78012e-05, (a=-nan) / (b=inf), where divisor b is: H2O_.amountOfBaseMolecules ^ 2.0 assert | debug | division leads to inf or nan at time 8.78012e-05, (a=-nan) / (b=inf), where divisor b is: H2O_.amountOfBaseMolecules ^ 2.0 stdout | warning | While solving non-linear system an assertion failed at time 8.78012e-05. | | | | | The non-linear solver tries to solve the problem that could take some time. | | | | | It could help to provide better start-values for the iteration variables. | | | | | For more information simulate with -lv LOG_NLS assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 8.78012e-05, (a=1.01487) / (b=0), where divisor b is: H2O.amountOfBaseMolecules stdout | warning | While solving non-linear system an assertion failed at time 8.78012e-05. | | | | | The non-linear solver tries to solve the problem that could take some time. | | | | | It could help to provide better start-values for the iteration variables. | | | | | For more information simulate with -lv LOG_NLS assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01487) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=1.01486) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules assert | debug | division leads to inf or nan at time 0.000175406, (a=-inf) / (b=2883.29), where divisor b is: H2O_.SelfClustering_K ^ 2.0 assert | debug | division leads to inf or nan at time 0.000175406, (a=1.30067e-180) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules ^ 3.0 assert | debug | division leads to inf or nan at time 0.000175406, (a=inf) / (b=0), where divisor b is: H2O_.amountOfBaseMolecules stdout | warning | While solving non-linear system an assertion failed at time 0.000175406. | | | | | The non-linear solver tries to solve the problem that could take some time. | | | | | It could help to provide better start-values for the iteration variables. | | | | | For more information simulate with -lv LOG_NLS assert | warning | The following assertion has been violated at time 0.000100 | | | | solution1.mass >= 0.0 and solution1.mass <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= solution1.mass <= 0.0, has value: 1 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O_.solution.n >= 0.0 and H2O_.solution.n <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O_.solution.n <= 0.0, has value: 1.01487 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O_.solution.I >= 0.0 and H2O_.solution.I <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O_.solution.I <= 0.0, has value: 1.02761e-07 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O_.SelfClustering_K >= 0.0 and H2O_.SelfClustering_K <= 1.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O_.SelfClustering_K <= 1.0, has value: 53.6963 assert | warning | The following assertion has been violated at time 0.000100 | | | | solution.mass >= 0.0 and solution.mass <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= solution.mass <= 0.0, has value: 1 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O.solution.n >= 0.0 and H2O.solution.n <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O.solution.n <= 0.0, has value: 1.01487 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O.solution.I >= 0.0 and H2O.solution.I <= 0.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O.solution.I <= 0.0, has value: 1.03605e-07 assert | warning | The following assertion has been violated at time 0.000100 | | | | H2O.SelfClustering_K >= 0.0 and H2O.SelfClustering_K <= 1.0 assert | warning | Variable violating min/max constraint: 0.0 <= H2O.SelfClustering_K <= 1.0, has value: 53.6963 assert | debug | Solving non-linear system 574 failed at time=0.000701034032156965. | | | | For more information please use -lv LOG_NLS. assert | debug | division leads to inf or nan at time 0.0004, (a=0) / (b=-0), where divisor b is: OH_.q + H_.q stdout | warning | Integrator attempt to handle a problem with a called assert. assert | debug | division leads to inf or nan at time 0.00025, (a=0) / (b=-0), where divisor b is: OH_.q + H_.q stdout | info | model terminate | Simulation terminated by an assert at time: 0.00025 LOG_STATS | info | ### STATISTICS ### | | | | | timer | | | | | | 0.00777904s reading init.xml | | | | | | 0.000642535s reading info.xml | | | | | | 5.2118e-05s pre-initialization | | | | | | 0.000210665s [ 2.4%] initialization | | | | | | 0s [ 0.0%] steps | | | | | | 0s [ 0.0%] creating output-file | | | | | | 1.001e-06s [ 0.0%] event-handling | | | | | | 5.561e-06s [ 0.1%] overhead | | | | | | 0.0084693s [ 96.9%] simulation | | | | | | 0.00873864s [100.0%] total | | | | | events | | | | | | 0 state events | | | | | | 0 time events | | | | | solver: dassl | | | | | | 10 steps taken | | | | | | 10 calls of functionODE | | | | | | 9 evaluations of jacobian | | | | | | 0 error test failures | | | | | | 0 convergence test failures | | | | | | 0.00270485s time of jacobian evaluation