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Eric Sonnenthal
moderator
Eric_Sonnenthal
TOUGHREACT Developer
Lawrence Berkeley Nat. lab
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Joined
Thu Sep 11 23:14:02 UTC 2014
143
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28
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10
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Latest Posts
Re: Using TOUGHREACT with zero porosity boundary
Hi Wei, If pressures are too large due to fluid injection, then your boundaries are most likely too close. Boundaries should usually be made far enough that they don't influence the results…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
4 yrs ago
TOUGHREACT
Reported - view
Re: Using TOUGHREACT with zero porosity boundary
Hi Wei, There are a lot more issues for the reactive-transport when using zero porosity, then in just using TOUGH2, so not all features may work, particularly in TOUGHREACT V2.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
4 yrs ago
TOUGHREACT
Reported - view
Re: Setting stack sizes when running v3.32-OMP in Linux environments
Hi Mikey, Yes, ulimit -s unlimited must used because of OpenMP parallelism. However, any user can put this command in their.bashrc file. We don't have issues on any of the lab-managed clusters,…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
4 yrs ago
TOUGHREACT
Reported - view
Re: Error compiling the utility kswitch_v2.3.f
Hi Mikey, "short" is a function name in this program. It looks like gfortran doesn't like the name conflict. Just change the the name "short" everywhere to something different like "shorty".…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGHREACT
Reported - view
Re: Initializing simulation with sorbed species
Hi Mikey, Check out TOUGHREACT Example Problem 10. It is a 1-D problem with some surface complexes (as primary species) as well as aqueous kinetics and redox. Eric
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGHREACT
Reported - view
Re: SAVE file
I didn’t know that Stefan! Is that option in TOUGH3?
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGH2
Reported - view
Re: SAVE file
Hi all, Only TOUGHREACT has grid-block dependent permeabilities in the INCON and SAVE files. I know for sure that TOUGH2 and ITOUGH2 do not have this feature.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGH2
Reported - view
Re: Non convergence when considering non-isothermal or molecular diffusion in TOUGH2 ECO2N
Hi Hector, That parameter is MOPR(4), but it is already set in your simulation. That was not the problem. It may have been the Tab stops in the file. Also,…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGH2
Reported - view
Re: Non convergence when considering non-isothermal or molecular diffusion in TOUGH2 ECO2N
Yes, that is the format for permeabilities in TOUGHREACT (since they can vary over time and space owing to reaction or heterogeneity). Maybe there are some differences in TOUGH2-ECO2n and…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
6 yrs ago
TOUGH2
Reported - view
Re: Data file Problem No.6 (*Case6_50kg_DP*) needed
@JuDi
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGH2
Reported - view
Re: Nonconvergence of TOUGREACT v332 (ECO2N)
@Norifumi Todaka Hi Norifumi, i probably would need to see your files. Is it chemical or flow nonconvergence? Make sure the MOP AND MOPR parameters are set as in the new sample problems. Eric
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Nonconvergence of TOUGREACT v332 (ECO2N)
Hi Norifumi, Try setting ICO2H20=3 (only minerals take h2o and co2) or =0 (no coupling of reactions with flow). V3.32 has a more rigorous treatment of reactions coupled to mass conservation in flow).…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Lithofacies random fields in TOUGHREACT?
Jaeshik, Regarding how to create this file, since it is a simple text file of columns, you can use any statistical or mathematical program (Matlab, R, Octave, or write a unix, fortran, C, python,…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Lithofacies random fields in TOUGHREACT?
Jaeshik, There is a header line at the top. The first five characters are the element name, then followed by 2 blank spaces. Every column has a mineral volume fraction in the same order as the…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling and Running TOUGHREACT v3.32 using Ubuntu/Linux
Hi Lang, There are no options in TOUGHREACT to limit the time step for chemical diffusion. One must find a time step large enough that the results stay about the same as a smaller time step.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Lithofacies random fields in TOUGHREACT?
Jaeshik, I guess the forum site automatically zips text files, so hopefully the file I attached will be ok. Let me know if it isn't. Eric
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Lithofacies random fields in TOUGHREACT?
Hi Jaeshik, Yes, there are no sample problems for this option, so I just created one. This min_volf.inp file works with test problem 8 (P8-EOS1). Just add this file and set MOPR(16)=1.…
Attachment
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hi Mikey, Unfortunately, this is a uncommon case where that particular problem I can't send out. At some point I'll create a large problem and add it to the Sample Problems.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Lithofacies random fields in TOUGHREACT?
Hi Jaeshik, In TOUGHREACT, the best way to add permeability heterogeneity (and porosity heterogeneity) is in the INCON block. The permeability modifiers added to the ELEME block as used in TOUGH2 is…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
1
TOUGHREACT
Reported - view
Re: Compiling and Running TOUGHREACT v3.32 using Ubuntu/Linux
Mikey, thanks for giving detailed info on Linux installation from the user's perspective! That information is in the new User's Manual I am working on now,…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hi Mikey, I guess I didn't read your earlier message, because now I see that you did use Ubuntu Linux! Maybe the memory on your machine is not large enough? I have 64GB on my Mac,…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hi Mikey, Unfortunately, this is an issue with running Cygwin under Windows. The Windows 2GB static memory limit still applies. Just to make sure, I just started a 3-D EOS1 reactive transport…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hi Mikey, Problem 12 is not documented. I included it since it was part of a series of ECO2n test problems that were passed on from Version 2. It is a larger problem that benefits greatly from the…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hi Mikey, On Windows, the maximum number of grid blocks I've been able to compile TOUGHREACT is about 64,000. I've never tried Cygwin, but it sounds like it is behaving like Windows.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
TOUGHREACT
Reported - view
Re: Convergence problem chemistry
Usually the reasons for nonconvergence are: 1. Time step too large - set rcour to 0.5 (cfl condition). 2. Chemical system overdetermined. Look at mineral assemblages. 3.…
Eric Sonnenthal
moderator
TOUGHREACT Developer
Eric_Sonnenthal
7 yrs ago
1
TOUGHREACT
Reported - view
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