Question about Restart in TOUGHREACT
Hello Everybody,
I am struggling to get running a restart and I would really much appreciate your insights. I'm using eos1 in toughreact_V2. The first run is a 2d model in which I have 8 minerals, all of them thermodynamic. I run the model for a few timesteps so fluid is at equilibrium with the rock. Then I run the restart using the save and savechem files from the previous run, renaming them incon and inchem. In the restart I use a new chemical.inp file, which is identical to the previous one except for the fact that all the minerals now are kinetic. Flow, solute and chemical input files are read but the simulation halts and I get this error message: forrt1: severe(64): input conversion error, unit 21, file inchem. Do you have any idea while I'm getting a formatting error in the inchem file (which I have not modified)? Is it because I changed the minerals from thermodynamic to kinetic? Any help is appreciated.
Kind Regards,
Tatyana
1 reply
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(Posted on behalf of Liange Zheng,LBNL)
Tatyana,
When you restart with kinetically controlled minerals, one piece of information is missing in INCHEM: the numbers of grains which is used to calculate the surface area for a minerals that could precipitate (in your case, for all the minerals). However, your initial run used equilibrium for minerals and therefore number of grain was not written in SAVECHEM. As a result, it crashed when you restarted.
Could you use kinetics also in your initial run? I mean, you can approximate an equilibrium condition by assigning large reaction rates for the kinetically controlled minerals.
By the way, I just noticed that in flow.inp, the starting time and total time are missing. According to your INCON file, you should have something like
3.1556E+9 0.XXXXE+XX 0.1000E+0 0.1578E+0x 0.9807E+010.4000E+01
for the second line under "PARAM".
Regards,
Liange