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Iteration problems with V. 9.01


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Hello GWB Builders,

 

I have tried to repeat some benchmark calculations (mostly invariant points of 2 minerals) I had done with GWB 8 trouble-free. Some of these calculations won't run with GWB 9 although I've used the same database and input files. In some cases the calculation is running and running... (for hours if I don't kill the calculation). Others break up while solving the initial system.

I have attached the input .rea files and the corresponding database.

 

R-03_04_GWB.rea R-03_04_GWB.rea: break up while solving the initial system of second reaction step

 

R-03_06_GWB.rea R-03_06_GWB.rea: endless iterations

 

R-03_07_GBW.rea R-03_07_GWB.rea: completely ignores the last 2 lines in the input file (second reaction step)

 

R-03_08_GWB.rea R-03_08_GWB.rea: break up while solving the initial system of second reaction step

 

THEREDA_PIT_GWB_r03.dat THEREDA_PIT_GWB_r03.dat: the thermodynamic database

 

Thanks for any hints!

Sincerely,

Frank

 

postscript:

I've checked these calculations on another PC with a fresh installed (virgin) GWB and was able to reproduce the problems with these calculations.

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