diff --git a/examples/ex11.out b/examples/ex11.out index cdb77f30..dff27f2c 100644 --- a/examples/ex11.out +++ b/examples/ex11.out @@ -209,9 +209,6 @@ Reading input data for simulation 3. print_frequency 20 PRINT reset false -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. -WARNING: -Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns... +Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns... diff --git a/examples/ex12.out b/examples/ex12.out index 9058b864..36435bf9 100644 --- a/examples/ex12.out +++ b/examples/ex12.out @@ -52,13 +52,9 @@ Reading input data for simulation 1. KX 0.048 PRINT reset false -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60. -WARNING: + Calculating transport: 60 (mobile) cells, 60 shifts, 0 mixruns... -WARNING: Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... - diff --git a/examples/ex12a.out b/examples/ex12a.out index b66ac9d5..3e639b14 100644 --- a/examples/ex12a.out +++ b/examples/ex12a.out @@ -72,14 +72,12 @@ Reading input data for simulation 1. shifts 1 flow_direction diffusion boundary_conditions constant closed - lengths 1.0 + lengths 20*1.0 thermal_diffusion 3.0 # Heat is retarded equal to Na - dispersivities 0.0 # No dispersion + dispersivities 20*0.0 # No dispersion diffusion_coefficient 0.3e-9 # m^2/s time_step 1.0e+10 # 317 years, 19 substeps will be used SELECTED_OUTPUT -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. file ex12a.sel high_precision true reset false @@ -115,9 +113,8 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z)) 2080 RETURN END -WARNING: -Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... +Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... SELECTED_OUTPUT active false # See also PRINT; selected_output false @@ -133,16 +130,14 @@ Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... END TRANSPORT # no need to redefine parameters that don't change from 20 cell model cells 60 - lengths 0.33333333333333333 + lengths 60*0.33333333333333333 + disp 60*0.0 punch_cells 1-60 SELECTED_OUTPUT -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. -WARNING: No dispersivities were read; disp = 0 assumed. active true # See also PRINT; selected_output false END -WARNING: -Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... +Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... SOLUTION # Initial solution calculation for pure water PRINT diff --git a/examples/ex13a.out b/examples/ex13a.out index 466f1b4d..2bfcc91d 100644 --- a/examples/ex13a.out +++ b/examples/ex13a.out @@ -298,15 +298,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 6.8e-6 0.3 0.1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution with KNO3 reenters units mmol/l @@ -339,7 +336,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/examples/ex13ac.out b/examples/ex13ac.out index 270f50d0..80af4cc0 100644 --- a/examples/ex13ac.out +++ b/examples/ex13ac.out @@ -298,15 +298,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 6.8e-6 0.3 0.1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution with KNO3 reenters units mmol/l @@ -340,9 +337,8 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Diamond, symbol_size = 7 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... PRINT user_graph false @@ -819,15 +815,12 @@ Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 5 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -858,7 +851,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/examples/ex13b.out b/examples/ex13b.out index f344d133..d4289e43 100644 --- a/examples/ex13b.out +++ b/examples/ex13b.out @@ -418,15 +418,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -459,7 +456,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/examples/ex13c.out b/examples/ex13c.out index 133a732a..915fc706 100644 --- a/examples/ex13c.out +++ b/examples/ex13c.out @@ -738,15 +738,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 5 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -779,7 +776,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/examples/ex15.out b/examples/ex15.out index 9a9a3664..ee723fbf 100644 --- a/examples/ex15.out +++ b/examples/ex15.out @@ -141,12 +141,12 @@ Reading input data for simulation 1. -end -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -154,21 +154,17 @@ Reading input data for simulation 1. print_cells 10 print_frequency 5 COPY solution 101 0 # initial column solution becomes influent -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. END -WARNING: -Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 # for the 20 cell model... COPY cell 101 1-20 END -WARNING: -Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... USER_PUNCH start @@ -198,13 +194,13 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -212,19 +208,15 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... print_cells 20 print_frequency 10 COPY cell 101 0 -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -WARNING: -Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 110 END -WARNING: -Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... diff --git a/examples/ex15a.out b/examples/ex15a.out index 0c18f49f..747e04f0 100644 --- a/examples/ex15a.out +++ b/examples/ex15a.out @@ -127,12 +127,12 @@ Reading input data for simulation 1. -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -140,21 +140,17 @@ Reading input data for simulation 1. print_cells 10 print_frequency 5 COPY solution 101 0 # initial column solution becomes influent -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. END -WARNING: -Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 # for the 20 cell model... COPY cell 101 1-20 END -WARNING: -Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... USER_PUNCH start @@ -175,13 +171,13 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -189,19 +185,15 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... print_cells 20 print_frequency 10 COPY cell 101 0 -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -WARNING: -Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 110 END -WARNING: -Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... diff --git a/examples/ex15b.out b/examples/ex15b.out index 3b5dcddd..e7fde239 100644 --- a/examples/ex15b.out +++ b/examples/ex15b.out @@ -111,12 +111,12 @@ Reading input data for simulation 1. end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -125,8 +125,6 @@ Reading input data for simulation 1. print_frequency 5 warnings false USER_GRAPH Example 15B -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. -headings 10_cells: Co+2 CoNTA- Biomass -chart_title "Example 15, Sorbed Species" -axis_titles "Time / hours" "nmol / kgw" "Biomass / (mg/L)" @@ -143,11 +141,17 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. -end COPY solution 101 0 END + +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... + TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 COPY cell 101 1-20 END + +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... + USER_PUNCH start 10 punch TOTAL_TIME/3600 + 3600/4/3600 @@ -157,13 +161,13 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -171,8 +175,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. print_cells 20 print_frequency 10 USER_GRAPH -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -headings 20_cells: Co+2 CoNTA- Biomass -start 10 x = TOTAL_TIME/3600 + 3600/4/3600 @@ -183,6 +185,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -end COPY cell 101 0 END + +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... + TRANSPORT Last 55 hours with background infilling solution shifts 110 END + +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... + diff --git a/examples/ex20b.out b/examples/ex20b.out index ac7b8d00..0dfc16cc 100644 --- a/examples/ex20b.out +++ b/examples/ex20b.out @@ -250,6 +250,7 @@ Reading input data for simulation 7. PRINT selected_output false + warnings 0 END ------------------ End of simulation. @@ -1603,12 +1604,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 12. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -1885,12 +1880,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 13. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3271,12 +3260,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 18. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3553,12 +3536,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 19. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3835,12 +3812,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 20. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4117,12 +4088,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 21. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4399,12 +4364,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 22. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4679,12 +4638,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 23. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -5511,12 +5464,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 26. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -6065,12 +6012,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 28. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -7997,12 +7938,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 35. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -8279,12 +8214,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 36. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -9111,12 +9040,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 39. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -9943,12 +9866,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 42. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -10777,12 +10694,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 45. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -11059,12 +10970,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 46. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -11893,12 +11798,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 49. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -12451,12 +12350,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 51. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -12733,12 +12626,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 52. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13291,12 +13178,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 54. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13573,12 +13454,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 55. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13855,12 +13730,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 56. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -14413,12 +14282,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 58. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -15523,12 +15386,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 62. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -15805,12 +15662,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 63. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16363,12 +16214,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 65. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16645,12 +16490,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 66. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16927,12 +16766,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 67. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -17209,12 +17042,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 68. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -17767,12 +17594,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 70. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18049,12 +17870,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 71. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18331,12 +18146,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 72. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18613,12 +18422,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 73. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18895,12 +18698,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 74. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -19729,12 +19526,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 77. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -20287,12 +20078,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 79. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -20845,12 +20630,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 81. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -21127,12 +20906,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 82. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -22237,12 +22010,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 86. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -23623,12 +23390,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 91. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -24733,12 +24494,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 95. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25015,12 +24770,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 96. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25573,18 +25322,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying increased tolerance 1e-14 ... - Using solution 1. Solution after simulation 98. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25861,12 +25598,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 99. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26419,12 +26150,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 101. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26701,12 +26426,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 102. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26983,12 +26702,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 103. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -27265,12 +26978,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 104. Using solid solution assemblage 1. With [14C] Using reaction 1. diff --git a/examples/ex21.out b/examples/ex21.out index d0770472..26fac9cb 100644 --- a/examples/ex21.out +++ b/examples/ex21.out @@ -558,6 +558,7 @@ Reading input data for simulation 3. PRINT selected_output false + status false Reading data from radial ... PRINT @@ -933,8 +934,7 @@ WARNING: No porosities were read; used the value 1.59e-01 from -multi_D. 60 put(a, 2) 70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None END -WARNING: -Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns... END diff --git a/examples/ex22.out b/examples/ex22.out index c0201883..09fbe689 100644 --- a/examples/ex22.out +++ b/examples/ex22.out @@ -23,6 +23,8 @@ Reading input data for simulation 1. TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC. + PRINT + warnings 0 SOLUTION 1 GAS_PHASE 1 fixed_volume @@ -119,8 +121,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using reaction 1. @@ -2179,13 +2179,6 @@ O(0) 2.585e-14 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2280,13 +2273,6 @@ O(0) 4.595e-12 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2381,13 +2367,6 @@ O(0) 7.163e-10 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2482,13 +2461,6 @@ O(0) 7.164e-10 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2583,13 +2555,6 @@ O(0) 7.165e-10 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2684,13 +2649,6 @@ O(0) 7.166e-10 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2785,13 +2743,6 @@ O(0) 7.167e-10 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2886,13 +2837,6 @@ O(0) 7.167e-10 Reaction step 30. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2987,13 +2931,6 @@ O(0) 7.167e-10 Reaction step 31. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -3088,13 +3025,6 @@ O(0) 7.167e-10 Reaction step 32. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -3209,8 +3139,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 2. @@ -5291,13 +5219,6 @@ O(0) 1.765e-14 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5393,13 +5314,6 @@ O(0) 1.069e-08 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5495,13 +5409,6 @@ O(0) 1.069e-08 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5597,13 +5504,6 @@ O(0) 1.069e-08 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5699,13 +5599,6 @@ O(0) 1.069e-08 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5801,13 +5694,6 @@ O(0) 1.069e-08 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5903,13 +5789,6 @@ O(0) 1.070e-08 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -6005,13 +5884,6 @@ O(0) 1.070e-08 Reaction step 30. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -6129,8 +6001,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 3. @@ -8116,13 +7986,6 @@ O(0) 0.000e+00 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8218,13 +8081,6 @@ O(0) 8.268e-11 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8320,13 +8176,6 @@ O(0) 8.270e-11 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8422,13 +8271,6 @@ O(0) 8.270e-11 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8524,13 +8366,6 @@ O(0) 8.272e-11 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8626,13 +8461,6 @@ O(0) 8.272e-11 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8728,13 +8556,6 @@ O(0) 8.273e-11 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8852,8 +8673,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 4. @@ -10839,13 +10658,6 @@ O(0) 0.000e+00 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -10941,13 +10753,6 @@ O(0) 0.000e+00 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11043,13 +10848,6 @@ O(0) 0.000e+00 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11145,13 +10943,6 @@ O(0) 3.158e-09 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11247,13 +11038,6 @@ O(0) 3.159e-09 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11349,13 +11133,6 @@ O(0) 3.160e-09 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11451,13 +11228,6 @@ O(0) 3.160e-09 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11553,13 +11323,6 @@ O(0) 3.160e-09 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11679,8 +11442,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 5. @@ -13476,13 +13237,6 @@ O(0) 2.096e-14 Reaction step 20. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13578,13 +13332,6 @@ O(0) 2.691e-12 Reaction step 21. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13680,13 +13427,6 @@ O(0) 5.019e-11 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13782,13 +13522,6 @@ O(0) 5.021e-11 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13884,13 +13617,6 @@ O(0) 5.024e-11 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13986,13 +13712,6 @@ O(0) 5.026e-11 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -14088,13 +13807,6 @@ O(0) 5.028e-11 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -14190,13 +13902,6 @@ O(0) 5.027e-11 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. diff --git a/examples/ex7.out b/examples/ex7.out index 344fbc59..c2e715a7 100644 --- a/examples/ex7.out +++ b/examples/ex7.out @@ -1715,10 +1715,10 @@ CO2(g) -1.50 3.162e-02 2.997e-02 2.997e-02 0.000e+00 H2O(g) -1.50 3.141e-02 2.977e-02 2.977e-02 0.000e+00 N2(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- diff --git a/examples/ex9.out b/examples/ex9.out index bbae3a73..349e2e55 100644 --- a/examples/ex9.out +++ b/examples/ex9.out @@ -122,6 +122,8 @@ End of simulation. Reading input data for simulation 2. ------------------------------------ + PRINT + warnings 0 SOLUTION 1 pH 7.0 pe 10.0 O2(g) -0.67 @@ -236,8 +238,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Negative moles in solution 1 for Fe_tri, -6.102356e-06. Recovering... -WARNING: Negative moles in solution 1 for Fe_tri, -1.391921e-06. Recovering... Using solution 1. Using pure phase assemblage 1. Using kinetics 1. diff --git a/mytest/CalPortDiff.out b/mytest/CalPortDiff.out index e4c37c74..120d8905 100644 --- a/mytest/CalPortDiff.out +++ b/mytest/CalPortDiff.out @@ -1134,9 +1134,8 @@ Si 1.390e-04 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 2 (mobile) cells, 5 shifts, 10 mixruns... +Calculating transport: 2 (mobile) cells, 5 shifts, 10 mixruns... ------------------ End of simulation. diff --git a/mytest/Cub.out b/mytest/Cub.out index b650cdf2..b4cd33c8 100644 --- a/mytest/Cub.out +++ b/mytest/Cub.out @@ -531,4 +531,7 @@ Reading input data for simulation 4. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 3.90e-01 from -multi_D. + +Calculating transport: 1 (mobile) cells, 13700 shifts, 3 mixruns... + END diff --git a/mytest/DanPhuong.out b/mytest/DanPhuong.out index fcb3a0a4..6701299a 100644 --- a/mytest/DanPhuong.out +++ b/mytest/DanPhuong.out @@ -437,9 +437,8 @@ WARNING: No dispersivities were read; disp = 0 assumed. equilibrium_phases siderite calcite Fe(OH)3As PRINT reset false -WARNING: -Calculating transport: 20 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 20 shifts, 1 mixruns... WARNING: Maximum iterations exceeded, 100 @@ -635,3 +634,5 @@ WARNING: Trying smaller step size, pe step size 10, 5 ... WARNING: Maximum iterations exceeded, 200 +WARNING: Numerical method failed with this set of convergence parameters. + diff --git a/mytest/IL_flux.out b/mytest/IL_flux.out index a4887fa1..588124d8 100644 --- a/mytest/IL_flux.out +++ b/mytest/IL_flux.out @@ -715,9 +715,8 @@ O(0) 2.559e-37 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 3 (mobile) cells, 10 shifts, 126 mixruns... +Calculating transport: 3 (mobile) cells, 10 shifts, 126 mixruns... Transport step 1. Multicomponent diffusion run 126. @@ -4734,7 +4733,6 @@ Reading input data for simulation 8. PRINT reset false WARNING: No porosities were read; used the value 6.00e-01 from -multi_D. -WARNING: -Calculating transport: 1 (mobile) cells, 10 shifts, 100 mixruns... +Calculating transport: 1 (mobile) cells, 10 shifts, 100 mixruns... diff --git a/mytest/Ilulissat_diff3.out b/mytest/Ilulissat_diff3.out index 6cf17e17..4f6deb75 100644 --- a/mytest/Ilulissat_diff3.out +++ b/mytest/Ilulissat_diff3.out @@ -312,9 +312,8 @@ O(0) 9.700e-12 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 2 (mobile) cells, 10 shifts, 3 mixruns... +Calculating transport: 2 (mobile) cells, 10 shifts, 3 mixruns... Transport step 1. Mixrun 1. diff --git a/mytest/PR_equil.out b/mytest/PR_equil.out index 1ec88e88..d4d7cbf6 100644 --- a/mytest/PR_equil.out +++ b/mytest/PR_equil.out @@ -136,10 +136,10 @@ Component log P P Initial Final Delta CO2(g) 1.00 9.454e+00 3.864e-01 3.864e-01 0.000e+00 N2(g) 2.00 9.722e+01 3.974e+00 3.974e+00 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- diff --git a/mytest/SC_Ohm.out b/mytest/SC_Ohm.out index 081942f6..31e9d00e 100644 --- a/mytest/SC_Ohm.out +++ b/mytest/SC_Ohm.out @@ -383,9 +383,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -774,9 +773,8 @@ O(0) 1.240e-11 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -3647,9 +3645,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -4074,9 +4071,8 @@ O(0) 1.244e-11 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. diff --git a/mytest/SC_Ohm1.out b/mytest/SC_Ohm1.out index 7260ddd1..0f1761d4 100644 --- a/mytest/SC_Ohm1.out +++ b/mytest/SC_Ohm1.out @@ -374,9 +374,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -765,9 +764,8 @@ O(0) 1.240e-11 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -3638,9 +3636,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. @@ -4065,9 +4062,8 @@ O(0) 1.244e-11 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. diff --git a/mytest/TonyLitharge2a.out b/mytest/TonyLitharge2a.out index db59a9f0..06067964 100644 --- a/mytest/TonyLitharge2a.out +++ b/mytest/TonyLitharge2a.out @@ -1550,9 +1550,8 @@ Pb 5.945e-07 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 2 shifts, 75 mixruns... +Calculating transport: 10 (mobile) cells, 2 shifts, 75 mixruns... WARNING: Maximum iterations exceeded, 100 @@ -1746,6 +1745,8 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying reduced tolerance 1e-16 ... +WARNING: Maximum iterations exceeded, 200 + Transport step 1. Multicomponent diffusion run 75. Using solution 0. Solution after simulation 3. @@ -6438,9 +6439,8 @@ Pb 2.576e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 2 shifts, 7240 mixruns... +Calculating transport: 10 (mobile) cells, 2 shifts, 7240 mixruns... Transport step 1. Multicomponent diffusion run 7240. diff --git a/mytest/adapted_minteq.out b/mytest/adapted_minteq.out index 76799ed4..2fe785b9 100644 --- a/mytest/adapted_minteq.out +++ b/mytest/adapted_minteq.out @@ -4006,9 +4006,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 40 (mobile) cells, 5000 shifts, 0 mixruns... +Calculating transport: 40 (mobile) cells, 5000 shifts, 0 mixruns... Transport step 1. diff --git a/mytest/aquia.out b/mytest/aquia.out index 407612c1..8e6b665b 100644 --- a/mytest/aquia.out +++ b/mytest/aquia.out @@ -861,7 +861,6 @@ Reading input data for simulation 6. reset false WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 11. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 11. -WARNING: -Calculating transport: 11 (mobile) cells, 70 shifts, 2 mixruns... +Calculating transport: 11 (mobile) cells, 70 shifts, 2 mixruns... diff --git a/mytest/aquia2.out b/mytest/aquia2.out index 714c2982..04584a9b 100644 --- a/mytest/aquia2.out +++ b/mytest/aquia2.out @@ -861,7 +861,6 @@ Reading input data for simulation 6. reset false WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 11. WARNING: No dispersivities were read; disp = 0 assumed. -WARNING: -Calculating transport: 11 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 11 (mobile) cells, 20 shifts, 1 mixruns... diff --git a/mytest/brown.out b/mytest/brown.out index 87a02f2b..00ebc2e0 100644 --- a/mytest/brown.out +++ b/mytest/brown.out @@ -3683,9 +3683,8 @@ Zn 1.403e-04 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 107 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 107 shifts, 1 mixruns... Transport step 1. @@ -24942,9 +24941,8 @@ Zn 3.451e-04 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 100 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 100 shifts, 1 mixruns... Transport step 1. diff --git a/mytest/colloid_U.out b/mytest/colloid_U.out index 6e55eb81..b047cbf8 100644 --- a/mytest/colloid_U.out +++ b/mytest/colloid_U.out @@ -735,12 +735,10 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. -WARNING: -Calculating transport: 10 (mobile) cells, 10 shifts, 2 mixruns... +Calculating transport: 10 (mobile) cells, 10 shifts, 2 mixruns... WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. -WARNING: -Calculating transport: 10 (mobile) cells, 30 shifts, 2 mixruns... +Calculating transport: 10 (mobile) cells, 30 shifts, 2 mixruns... diff --git a/mytest/colt1.out b/mytest/colt1.out index 4edb8498..d3da3d12 100644 --- a/mytest/colt1.out +++ b/mytest/colt1.out @@ -138,7 +138,6 @@ Reading input data for simulation 2. END WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 8. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 8. -WARNING: -Calculating transport: 8 (mobile) cells, 25 shifts, 1 mixruns... +Calculating transport: 8 (mobile) cells, 25 shifts, 1 mixruns... diff --git a/mytest/colt2.out b/mytest/colt2.out index 71e69192..0de9e3d6 100644 --- a/mytest/colt2.out +++ b/mytest/colt2.out @@ -72,9 +72,8 @@ Reading input data for simulation 1. END WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 19 shifts, 0 mixruns... +Calculating transport: 20 (mobile) cells, 19 shifts, 0 mixruns... SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) units mol/kgw @@ -101,7 +100,6 @@ Calculating transport: 20 (mobile) cells, 19 shifts, 0 mixruns... diffc 0.3e-9 # m^2/s timest 1.0e+10 # 317 years give 19 mixes END -WARNING: -Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... +Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... diff --git a/mytest/colt3.out b/mytest/colt3.out index d41a2982..731bf01a 100644 --- a/mytest/colt3.out +++ b/mytest/colt3.out @@ -299,9 +299,8 @@ Reading input data for simulation 3. END WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -325,7 +324,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... selected_output 10 punch 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/mytest/colt3_mi.out b/mytest/colt3_mi.out index 03da7dbe..baf50f2f 100644 --- a/mytest/colt3_mi.out +++ b/mytest/colt3_mi.out @@ -429,9 +429,8 @@ Reading input data for simulation 3. END WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -442,7 +441,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... TRANSPORT shifts 10 1 END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/mytest/colt5.out b/mytest/colt5.out index 55a6ad36..6a8bbb18 100644 --- a/mytest/colt5.out +++ b/mytest/colt5.out @@ -357,9 +357,8 @@ O(0) 1.662e-02 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 2 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 2 (mobile) cells, 5 shifts, 1 mixruns... Transport step 1. Mixrun 1. diff --git a/mytest/current1.out b/mytest/current1.out index ddd74fd9..9d22dd4a 100644 --- a/mytest/current1.out +++ b/mytest/current1.out @@ -424,9 +424,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 100 (mobile) cells, 100 shifts, 1 mixruns... +Calculating transport: 100 (mobile) cells, 100 shifts, 1 mixruns... Transport step 5. Multicomponent diffusion run 1. @@ -1746,9 +1745,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 100 (mobile) cells, 100 shifts, 19 mixruns... +Calculating transport: 100 (mobile) cells, 100 shifts, 19 mixruns... Transport step 5. Multicomponent diffusion run 19. diff --git a/mytest/current2.out b/mytest/current2.out index 30c68b87..e4ff8da4 100644 --- a/mytest/current2.out +++ b/mytest/current2.out @@ -587,9 +587,8 @@ O(0) 2.833e-23 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 25 (mobile) cells, 100 shifts, 1509 mixruns... +Calculating transport: 25 (mobile) cells, 100 shifts, 1509 mixruns... Transport step 100. Multicomponent diffusion run 1509. diff --git a/mytest/current_analytical.out b/mytest/current_analytical.out index e0a3e2fd..36de85d2 100644 --- a/mytest/current_analytical.out +++ b/mytest/current_analytical.out @@ -523,9 +523,8 @@ O(0) 1.095e-13 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 100 (mobile) cells, 1000 shifts, 151 mixruns... +Calculating transport: 100 (mobile) cells, 1000 shifts, 151 mixruns... Transport step 1. Multicomponent diffusion run 151. diff --git a/mytest/ddl_flux.out b/mytest/ddl_flux.out index 2c6e55ba..d67912e1 100644 --- a/mytest/ddl_flux.out +++ b/mytest/ddl_flux.out @@ -1032,9 +1032,8 @@ O(0) 3.003e-15 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 6 (mobile) cells, 11 shifts, 18 mixruns... +Calculating transport: 6 (mobile) cells, 11 shifts, 18 mixruns... Transport step 1. Multicomponent diffusion run 18. @@ -10828,9 +10827,8 @@ O(0) 3.003e-15 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 11 shifts, 18 mixruns... +Calculating transport: 1 (mobile) cells, 11 shifts, 18 mixruns... Transport step 1. Multicomponent diffusion run 18. diff --git a/mytest/de.out b/mytest/de.out index 411e5639..116a8c38 100644 --- a/mytest/de.out +++ b/mytest/de.out @@ -357,27 +357,21 @@ Reading input data for simulation 3. reset false WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 15. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 15. -WARNING: + Calculating transport: 15 (mobile) cells, 10 shifts, 1 mixruns... -WARNING: Calculating transport: 15 (mobile) cells, 30 shifts, 1 mixruns... -WARNING: Calculating transport: 15 (mobile) cells, 10 shifts, 1 mixruns... -WARNING: Calculating transport: 15 (mobile) cells, 30 shifts, 1 mixruns... -WARNING: Calculating transport: 15 (mobile) cells, 10 shifts, 1 mixruns... -WARNING: Calculating transport: 15 (mobile) cells, 30 shifts, 1 mixruns... - diff --git a/mytest/deb1.out b/mytest/deb1.out index c640e54d..b5e95f17 100644 --- a/mytest/deb1.out +++ b/mytest/deb1.out @@ -1329,9 +1329,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 42 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 42 mixruns... Transport step 1. Multicomponent diffusion run 42. diff --git a/mytest/debye1.out b/mytest/debye1.out index 5a3e441f..ba6a2a68 100644 --- a/mytest/debye1.out +++ b/mytest/debye1.out @@ -986,9 +986,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 21 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 21 mixruns... Transport step 1. Multicomponent diffusion run 21. @@ -3390,9 +3389,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 21 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 21 mixruns... Transport step 1. Multicomponent diffusion run 21. diff --git a/mytest/deltas.out b/mytest/deltas.out index f4102faa..768b0e3d 100644 --- a/mytest/deltas.out +++ b/mytest/deltas.out @@ -739,9 +739,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 2 (mobile) cells, 2 shifts, 1 mixruns... +Calculating transport: 2 (mobile) cells, 2 shifts, 1 mixruns... Transport step 1. diff --git a/mytest/dist_x.out b/mytest/dist_x.out index 0f9f2409..83050161 100644 --- a/mytest/dist_x.out +++ b/mytest/dist_x.out @@ -3554,9 +3554,8 @@ O(0) 5.351e-04 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 40 (mobile) cells, 40 shifts, 4 mixruns... +Calculating transport: 40 (mobile) cells, 40 shifts, 4 mixruns... Transport step 1. diff --git a/mytest/dump_test.out b/mytest/dump_test.out index e8b8be5b..63c20704 100644 --- a/mytest/dump_test.out +++ b/mytest/dump_test.out @@ -8328,9 +8328,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 100 (mobile) cells, 101 shifts, 1 mixruns... +Calculating transport: 100 (mobile) cells, 101 shifts, 1 mixruns... Transport step 0. Mixrun 1. diff --git a/mytest/ex12b.out b/mytest/ex12b.out index b12e0ab7..cedd699d 100644 --- a/mytest/ex12b.out +++ b/mytest/ex12b.out @@ -2231,9 +2231,8 @@ O(0) 3.432e-15 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 30 (mobile) cells, 1 shifts, 122 mixruns... +Calculating transport: 30 (mobile) cells, 1 shifts, 122 mixruns... Transport step 1. Mixrun 1. @@ -7054,9 +7053,8 @@ O(0) 3.432e-15 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating implicit transport: 30 (mobile) cells, 1 shifts, 53 mixruns, max. mixf = 1. +Calculating implicit transport: 30 (mobile) cells, 1 shifts, 53 mixruns, max. mixf = 1. Transport step 1. Multicomponent diffusion run 53. diff --git a/mytest/ex13_impl.out b/mytest/ex13_impl.out index 055de67b..d2591a6f 100644 --- a/mytest/ex13_impl.out +++ b/mytest/ex13_impl.out @@ -256,12 +256,10 @@ Reading input data for simulation 5. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 338 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 338 mixruns... WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. -WARNING: -Calculating implicit transport: 10 (mobile) cells, 1 shifts, 16 mixruns, max. mixf = 10. +Calculating implicit transport: 10 (mobile) cells, 1 shifts, 16 mixruns, max. mixf = 10. diff --git a/mytest/ex15.cvode.out b/mytest/ex15.cvode.out index 4971202b..983d12b0 100644 --- a/mytest/ex15.cvode.out +++ b/mytest/ex15.cvode.out @@ -388,9 +388,8 @@ O(0) 6.250e-05 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... Transport step 1. @@ -1077,9 +1076,8 @@ O(0) 6.027e-05 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... Transport step 1. diff --git a/mytest/ex_ild.out b/mytest/ex_ild.out index b18a8c1c..251d4e6c 100644 --- a/mytest/ex_ild.out +++ b/mytest/ex_ild.out @@ -442,9 +442,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 5 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 5 mixruns... Transport step 1. Multicomponent diffusion run 5. @@ -1286,9 +1285,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 5 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 5 mixruns... Transport step 1. Multicomponent diffusion run 5. diff --git a/mytest/fix_V.out b/mytest/fix_V.out index d4767eef..c84054aa 100644 --- a/mytest/fix_V.out +++ b/mytest/fix_V.out @@ -249,10 +249,10 @@ Component log P P Initial Final Delta CO2(g) 0.79 5.909e+00 2.415e-01 2.415e-01 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- diff --git a/mytest/fixed_volume_gas.out b/mytest/fixed_volume_gas.out index 549b4339..e792dee1 100644 --- a/mytest/fixed_volume_gas.out +++ b/mytest/fixed_volume_gas.out @@ -200,10 +200,10 @@ Component log P P Initial Final Delta CO2(g) -1.50 3.162e-02 1.292e-03 1.292e-03 0.000e+00 N2(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ------------------ End of simulation. ------------------ diff --git a/mytest/fixed_volume_gas_pz.out b/mytest/fixed_volume_gas_pz.out index 08215ce3..292247d2 100644 --- a/mytest/fixed_volume_gas_pz.out +++ b/mytest/fixed_volume_gas_pz.out @@ -190,10 +190,10 @@ Component log P P Initial Final Delta CO2(g) -1.50 3.162e-02 1.292e-03 1.292e-03 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ------------------ End of simulation. ------------------ diff --git a/mytest/harm_mean.out b/mytest/harm_mean.out index 89d38421..2456f96e 100644 --- a/mytest/harm_mean.out +++ b/mytest/harm_mean.out @@ -1084,9 +1084,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 3 (mobile) cells, 10 shifts, 12 mixruns... +Calculating transport: 3 (mobile) cells, 10 shifts, 12 mixruns... Transport step 1. Multicomponent diffusion run 12. @@ -6255,9 +6254,8 @@ O(0) 9.638e-11 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 3 (mobile) cells, 10 shifts, 12 mixruns... +Calculating transport: 3 (mobile) cells, 10 shifts, 12 mixruns... Transport step 5. Multicomponent diffusion run 12. diff --git a/mytest/hittorf1.out b/mytest/hittorf1.out index 4a1676c4..603ec4e0 100644 --- a/mytest/hittorf1.out +++ b/mytest/hittorf1.out @@ -631,77 +631,62 @@ Reading input data for simulation 6. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 100. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 1 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... +Calculating transport: 100 (mobile) cells, 1 shifts, 17 mixruns... diff --git a/mytest/i2.out b/mytest/i2.out index 098444eb..172e9aa6 100644 --- a/mytest/i2.out +++ b/mytest/i2.out @@ -219,11 +219,9 @@ Reading input data for simulation 2. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 5.48e-01 from -multi_D. -WARNING: + Calculating transport: 10 (mobile) cells, 5 shifts, 5 mixruns... -WARNING: Calculating transport: 10 (mobile) cells, 5 shifts, 1 mixruns... - diff --git a/mytest/i3.out b/mytest/i3.out index aa04a172..767a3221 100644 --- a/mytest/i3.out +++ b/mytest/i3.out @@ -199,11 +199,9 @@ Reading input data for simulation 2. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: + Calculating transport: 10 (mobile) cells, 5 shifts, 28 mixruns... -WARNING: Calculating transport: 10 (mobile) cells, 5 shifts, 3 mixruns... - diff --git a/mytest/i4.out b/mytest/i4.out index 63e0db46..06a80722 100644 --- a/mytest/i4.out +++ b/mytest/i4.out @@ -172,3 +172,9 @@ Reading input data for simulation 2. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 5.48e-01 from -multi_D. + +Calculating transport: 10 (mobile) cells, 5 shifts, 124 mixruns... + + +Calculating transport: 10 (mobile) cells, 5 shifts, 8 mixruns... + diff --git a/mytest/i5.out b/mytest/i5.out index 3bbc1a3d..60b56273 100644 --- a/mytest/i5.out +++ b/mytest/i5.out @@ -367,11 +367,9 @@ Reading input data for simulation 3. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 5.48e-01 from -multi_D. -WARNING: + Calculating transport: 2 (mobile) cells, 100 shifts, 1 mixruns... -WARNING: Calculating transport: 2 (mobile) cells, 100 shifts, 1 mixruns... - diff --git a/mytest/i6.out b/mytest/i6.out index d4383826..47150ee2 100644 --- a/mytest/i6.out +++ b/mytest/i6.out @@ -437,11 +437,9 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying smaller step size, pe step size 10, 5 ... -WARNING: + Calculating transport: 2 (mobile) cells, 100 shifts, 1 mixruns... -WARNING: Calculating transport: 2 (mobile) cells, 100 shifts, 1 mixruns... - diff --git a/mytest/i7.out b/mytest/i7.out index 6f586191..2acc02e8 100644 --- a/mytest/i7.out +++ b/mytest/i7.out @@ -633,11 +633,9 @@ Reading input data for simulation 3. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 5.48e-01 from -multi_D. -WARNING: + Calculating transport: 2 (mobile) cells, 100 shifts, 10 mixruns... -WARNING: Calculating transport: 2 (mobile) cells, 100 shifts, 1 mixruns... - diff --git a/mytest/implicit_as.out b/mytest/implicit_as.out index aa5bd078..b9e144f6 100644 --- a/mytest/implicit_as.out +++ b/mytest/implicit_as.out @@ -426,9 +426,8 @@ Reading input data for simulation 4. reset false WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 8.00e-01 from -multi_D. -WARNING: -Calculating implicit transport: 1 (mobile) cells, 60 shifts, 100 mixruns, max. mixf = 4. +Calculating implicit transport: 1 (mobile) cells, 60 shifts, 100 mixruns, max. mixf = 4. WARNING: For balancing negative concentrations in MCD, added in total to the system: diff --git a/mytest/initial_gas.out b/mytest/initial_gas.out index 9e9c49c5..affc5d92 100644 --- a/mytest/initial_gas.out +++ b/mytest/initial_gas.out @@ -229,10 +229,10 @@ CH4(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00 CO2(g) -1.00 9.994e-02 4.085e-02 4.085e-02 0.000e+00 O2(g) -1.00 9.999e-02 4.087e-02 4.087e-02 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ------------------ End of simulation. ------------------ diff --git a/mytest/jm_trans.out b/mytest/jm_trans.out index 1c8b9768..de2d0515 100644 --- a/mytest/jm_trans.out +++ b/mytest/jm_trans.out @@ -429,9 +429,8 @@ Using solution 2. Solution after simulation 5. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -800,9 +799,8 @@ Using solution 2. Solution after simulation 6. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -1171,9 +1169,8 @@ Using solution 2. Solution after simulation 8. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -1542,9 +1539,8 @@ Using solution 2. Solution after simulation 10. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -1913,9 +1909,8 @@ Using solution 2. Solution after simulation 12. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -2283,9 +2278,8 @@ Using solution 2. Solution after simulation 14. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -2716,9 +2710,8 @@ Using solution 2. Solution after simulation 16. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -3087,9 +3080,8 @@ Using solution 2. Solution after simulation 17. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -3458,9 +3450,8 @@ Using solution 2. Solution after simulation 19. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. @@ -3829,9 +3820,8 @@ Using solution 2. Solution after simulation 21. Total H = 1.110244e+02 Total O = 5.555704e+01 -WARNING: -Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 5 shifts, 0 mixruns... Transport step 1. diff --git a/mytest/krest.out b/mytest/krest.out index e1dced9d..27d15cf7 100644 --- a/mytest/krest.out +++ b/mytest/krest.out @@ -5128,9 +5128,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 45 (mobile) cells, 10 shifts, 2 mixruns... +Calculating transport: 45 (mobile) cells, 10 shifts, 2 mixruns... Transport step 1. diff --git a/mytest/membrane.out b/mytest/membrane.out index f2049ffe..4c0d6407 100644 --- a/mytest/membrane.out +++ b/mytest/membrane.out @@ -400,12 +400,10 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 20 (mobile) cells, 1 shifts, 109 mixruns... +Calculating transport: 20 (mobile) cells, 1 shifts, 109 mixruns... WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 20 (mobile) cells, 1 shifts, 218 mixruns... +Calculating transport: 20 (mobile) cells, 1 shifts, 218 mixruns... diff --git a/mytest/mmb.out b/mytest/mmb.out index 6b02e783..1c48a8b7 100644 --- a/mytest/mmb.out +++ b/mytest/mmb.out @@ -378,9 +378,8 @@ solution = 1 EB = 8.7812e-09 total water 1 7.0000e+00 Na = 5.0000e-01 Cl = 5.0000e-01 sys_Ca = 0 a_Ca = 1.0000e-99 a_Na = 3.5876e-01 -WARNING: -Calculating transport: 1 (mobile) cells, 8 shifts, 2520 mixruns... +Calculating transport: 1 (mobile) cells, 8 shifts, 2520 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/mmb2.out b/mytest/mmb2.out index 48473ca3..87a34414 100644 --- a/mytest/mmb2.out +++ b/mytest/mmb2.out @@ -68,9 +68,8 @@ WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. edl_H2O 3.8365e-01 total water 9.9974e-01 7.0000e+00 Na = 5.0000e-01 Cl = 5.0000e-01 EB = -1.1873e-11 sys_Ca = 0 sol = 1 a_Na = 3.5876e-01 -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 2520 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 2520 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/mmb2_pitzer.out b/mytest/mmb2_pitzer.out index 8257d3d3..bb2268d1 100644 --- a/mytest/mmb2_pitzer.out +++ b/mytest/mmb2_pitzer.out @@ -67,9 +67,8 @@ WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. edl_H2O 3.8365e-01 total water 9.9974e-01 7.0000e+00 Na = 5.0000e-01 Cl = 5.0000e-01 EB = -4.6153e-12 sys_Ca = 0 sol = 1 a_Na = 3.5731e-01 -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 2520 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 2520 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/n3.out b/mytest/n3.out index eec71ab3..a6d6fe07 100644 --- a/mytest/n3.out +++ b/mytest/n3.out @@ -217,7 +217,6 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 269 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 269 mixruns... diff --git a/mytest/negative_user_number.out b/mytest/negative_user_number.out index a0d43355..804421ce 100644 --- a/mytest/negative_user_number.out +++ b/mytest/negative_user_number.out @@ -455,9 +455,8 @@ O(0) 9.700e-12 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. diff --git a/mytest/no_negative_dump.out b/mytest/no_negative_dump.out index 9ed6b2ef..349b8977 100644 --- a/mytest/no_negative_dump.out +++ b/mytest/no_negative_dump.out @@ -6432,9 +6432,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 50 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 50 (mobile) cells, 10 shifts, 1 mixruns... Transport step 1. diff --git a/mytest/opa_col2.out b/mytest/opa_col2.out index fc0f0e47..9516a098 100644 --- a/mytest/opa_col2.out +++ b/mytest/opa_col2.out @@ -5041,9 +5041,8 @@ Sr 5.000e-04 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 50 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 50 shifts, 1 mixruns... Transport step 1. Multicomponent diffusion run 1. diff --git a/mytest/opa_col3.out b/mytest/opa_col3.out index 439ddddc..046969e5 100644 --- a/mytest/opa_col3.out +++ b/mytest/opa_col3.out @@ -465,12 +465,10 @@ Reading input data for simulation 3. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.60e-01 from -multi_D. -WARNING: -Calculating transport: 1 (mobile) cells, 60 shifts, 3 mixruns... +Calculating transport: 1 (mobile) cells, 60 shifts, 3 mixruns... WARNING: No porosities were read; used the value 1.60e-01 from -multi_D. -WARNING: -Calculating transport: 1 (mobile) cells, 60 shifts, 3 mixruns... +Calculating transport: 1 (mobile) cells, 60 shifts, 3 mixruns... diff --git a/mytest/s1.out b/mytest/s1.out index dbb6389a..92f33b70 100644 --- a/mytest/s1.out +++ b/mytest/s1.out @@ -541,9 +541,8 @@ O(0) 0.000e+00 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 1 (mobile) cells, 1 shifts, 0 mixruns... +Calculating transport: 1 (mobile) cells, 1 shifts, 0 mixruns... Transport step 1. diff --git a/mytest/sc1.out b/mytest/sc1.out index b76f06db..06bbf2eb 100644 --- a/mytest/sc1.out +++ b/mytest/sc1.out @@ -723,9 +723,8 @@ O(0) 9.700e-12 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 2 (mobile) cells, 2 shifts, 1 mixruns... +Calculating transport: 2 (mobile) cells, 2 shifts, 1 mixruns... Transport step 1. diff --git a/mytest/sc2.out b/mytest/sc2.out index 964e5281..89943216 100644 --- a/mytest/sc2.out +++ b/mytest/sc2.out @@ -407,7 +407,6 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 4. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 4. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 4 (mobile) cells, 3 shifts, 5 mixruns... +Calculating transport: 4 (mobile) cells, 3 shifts, 5 mixruns... diff --git a/mytest/sc3.out b/mytest/sc3.out index d3c19e74..f0472f93 100644 --- a/mytest/sc3.out +++ b/mytest/sc3.out @@ -244,7 +244,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 4. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. WARNING: multi_D calc's and stagnant: define MIXing factors explicitly, or give in -multi_D the Dw used for calculating the mobile-immobile exchange factor. -WARNING: -Calculating transport: 4 (mobile) cells, 3 shifts, 2 mixruns... +Calculating transport: 4 (mobile) cells, 3 shifts, 2 mixruns... diff --git a/mytest/sc4.out b/mytest/sc4.out index 869f7821..9c1c1e0a 100644 --- a/mytest/sc4.out +++ b/mytest/sc4.out @@ -304,7 +304,6 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 4. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 4. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 4 (mobile) cells, 3 shifts, 5 mixruns... +Calculating transport: 4 (mobile) cells, 3 shifts, 5 mixruns... diff --git a/mytest/sc5.out b/mytest/sc5.out index 61b31a7e..d9920aed 100644 --- a/mytest/sc5.out +++ b/mytest/sc5.out @@ -586,7 +586,6 @@ Reading input data for simulation 4. WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 5.48e-01 from -multi_D. -WARNING: -Calculating transport: 2 (mobile) cells, 3 shifts, 1 mixruns... +Calculating transport: 2 (mobile) cells, 3 shifts, 1 mixruns... diff --git a/mytest/sc6.out b/mytest/sc6.out index 1f1d35ef..2f838b13 100644 --- a/mytest/sc6.out +++ b/mytest/sc6.out @@ -657,9 +657,8 @@ Sub ----------------------------------User print----------------------------------- -WARNING: -Calculating transport: 3 (mobile) cells, 3 shifts, 1 mixruns... +Calculating transport: 3 (mobile) cells, 3 shifts, 1 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/sc6a.out b/mytest/sc6a.out index 4e8b6541..b688fd76 100644 --- a/mytest/sc6a.out +++ b/mytest/sc6a.out @@ -668,9 +668,8 @@ Sub WARNING: multi_D calc's and stagnant: define MIXing factors explicitly, or give in -multi_D the Dw used for calculating the mobile-immobile exchange factor. -WARNING: -Calculating transport: 3 (mobile) cells, 4 shifts, 1 mixruns... +Calculating transport: 3 (mobile) cells, 4 shifts, 1 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/sc6b.out b/mytest/sc6b.out index e9d30c4c..02b88121 100644 --- a/mytest/sc6b.out +++ b/mytest/sc6b.out @@ -668,9 +668,8 @@ Sub WARNING: multi_D calc's and stagnant: define MIXing factors explicitly, or give in -multi_D the Dw used for calculating the mobile-immobile exchange factor. -WARNING: -Calculating transport: 3 (mobile) cells, 4 shifts, 1 mixruns... +Calculating transport: 3 (mobile) cells, 4 shifts, 1 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/sc7.out b/mytest/sc7.out index d9bae606..0147d9fc 100644 --- a/mytest/sc7.out +++ b/mytest/sc7.out @@ -567,9 +567,8 @@ Hfo_w ----------------------------------User print----------------------------------- -WARNING: -Calculating transport: 10 (mobile) cells, 10 shifts, 2 mixruns... +Calculating transport: 10 (mobile) cells, 10 shifts, 2 mixruns... ----------------------------------User print----------------------------------- @@ -10903,9 +10902,8 @@ Hfo_w Hfo_wOH2+ 3.163e-06 0.032 3.163e-06 -5.500 Hfo_wOCa+ 7.970e-09 0.000 7.970e-09 -8.099 -WARNING: -Calculating transport: 10 (mobile) cells, 30 shifts, 2 mixruns... +Calculating transport: 10 (mobile) cells, 30 shifts, 2 mixruns... ----------------------------------User print----------------------------------- diff --git a/mytest/ss_r.out b/mytest/ss_r.out index 61be8bc5..96c8566d 100644 --- a/mytest/ss_r.out +++ b/mytest/ss_r.out @@ -1824,9 +1824,8 @@ Zn 1.500e-12 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 10 shifts, 0 mixruns... +Calculating transport: 10 (mobile) cells, 10 shifts, 0 mixruns... Transport step 1. diff --git a/mytest/stag_diss_only.out b/mytest/stag_diss_only.out index a1d7d5de..c5171d48 100644 --- a/mytest/stag_diss_only.out +++ b/mytest/stag_diss_only.out @@ -48,3 +48,6 @@ Reading input data for simulation 1. reset false WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. + +Calculating transport: 1 (mobile) cells, 20 shifts, 1 mixruns... + diff --git a/mytest/surf_error.out b/mytest/surf_error.out index cfff2e56..4b120685 100644 --- a/mytest/surf_error.out +++ b/mytest/surf_error.out @@ -1,3 +1,4 @@ +WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: surf_error Output file: surf_error.out Database file: ../database/wateq4f.dat diff --git a/mytest/surf_transport.out b/mytest/surf_transport.out index ee711456..97d52ee6 100644 --- a/mytest/surf_transport.out +++ b/mytest/surf_transport.out @@ -65,7 +65,6 @@ Reading input data for simulation 1. WARNING: Number of cells is increased to number of 'lengths' 10. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. -WARNING: -Calculating transport: 10 (mobile) cells, 100 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 100 shifts, 1 mixruns... diff --git a/mytest/surface_punch_all.out b/mytest/surface_punch_all.out index c2db53ec..fc915b24 100644 --- a/mytest/surface_punch_all.out +++ b/mytest/surface_punch_all.out @@ -3413,9 +3413,8 @@ S(6) 1.141e-04 HSO4- 3.318e-11 3.105e-11 -10.479 -10.508 -0.029 (0) CaHSO4+ 9.628e-14 9.010e-14 -13.016 -13.045 -0.029 (0) -WARNING: -Calculating transport: 38 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 38 (mobile) cells, 10 shifts, 1 mixruns... Transport step 1. @@ -6241,6 +6240,9 @@ Value set to zero. WARNING: Zero divide in BASIC line 80 PUNCH MOL("(Hfo_wO)2Th+2")/TOT("Th"). Value set to zero. +WARNING: Zero divide in BASIC line + 39 PUNCH TOT("Ra")/TOT("Ba"). +Value set to zero. Using mix 38. Using surface 38. Using pure phase assemblage 38. Pure-phase assemblage after simulation 1. diff --git a/mytest/unequal.out b/mytest/unequal.out index 97364d94..8841055c 100644 --- a/mytest/unequal.out +++ b/mytest/unequal.out @@ -51,7 +51,6 @@ Reading input data for simulation 1. PRINT reset false WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -WARNING: -Calculating transport: 35 (mobile) cells, 50 shifts, 51 mixruns... +Calculating transport: 35 (mobile) cells, 50 shifts, 51 mixruns... diff --git a/mytest/uphill_NP.out b/mytest/uphill_NP.out index 05427aa0..101fddfd 100644 --- a/mytest/uphill_NP.out +++ b/mytest/uphill_NP.out @@ -1364,9 +1364,8 @@ O(0) 3.270e-07 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 2 shifts, 9 mixruns... +Calculating transport: 10 (mobile) cells, 2 shifts, 9 mixruns... Transport step 1. Mixrun 1. @@ -4662,9 +4661,8 @@ O(0) 3.270e-07 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 2 shifts, 14 mixruns... +Calculating transport: 10 (mobile) cells, 2 shifts, 14 mixruns... Transport step 1. Multicomponent diffusion run 14. diff --git a/mytest/uphill_NPa.out b/mytest/uphill_NPa.out index b7396873..1b55a2b9 100644 --- a/mytest/uphill_NPa.out +++ b/mytest/uphill_NPa.out @@ -1044,9 +1044,8 @@ O(0) 3.270e-07 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 46 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 46 mixruns... Transport step 1. Multicomponent diffusion run 46. @@ -3057,9 +3056,8 @@ O(0) 3.270e-07 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 37 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 37 mixruns... Transport step 1. Multicomponent diffusion run 37. diff --git a/mytest/variable_cell_diffusion.out b/mytest/variable_cell_diffusion.out index c8c1c7cf..03348225 100644 --- a/mytest/variable_cell_diffusion.out +++ b/mytest/variable_cell_diffusion.out @@ -74,9 +74,8 @@ WARNING: No dispersivities were read; disp = 0 assumed. -end END WARNING: Unequal cell-lengths may give mass-balance error, consider using -multi_D -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 1105 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 1105 mixruns... USER_GRAPH -active false @@ -99,7 +98,6 @@ WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. 10 plot_xy dist, tot("Cl") * 1e3 -end END -WARNING: -Calculating transport: 10 (mobile) cells, 1 shifts, 474 mixruns... +Calculating transport: 10 (mobile) cells, 1 shifts, 474 mixruns...