OGS_IPheeqc coupling

Mailing List Archives ogs-devs
1

Dear all,

We (WH, TK, EJ) would like to include the coupling between OGS and IPhreeqc into the next release of OGS.

If there is no objection, we will include the following changes into the trunk soon.

Changes:

  • add IPhreeqc source code (version 3.1.2-8538).

  • IPhreeqc functions will be applied within the function REACT::Call_Phreeqc(void) of OGS-PHREEQC interface to calculate geochemical reactions

(system call to PHREEQC executable will still be applied, if flag “OGS_FEM_IPQC” is not chosen).

Best regards,

Wenkui

2

Dear all,

we will soon make a new version (5.5.7).

please don’t change trunk in the next few days until we make the next announcement.
Thanks!

Regards,
Wenkui

···

On Tuesday, March 10, 2015 at 3:29:52 PM UTC+1, Wenkui He wrote:

Dear all,

We (WH, TK, EJ) would like to include the coupling between OGS and IPhreeqc into the next release of OGS.

If there is no objection, we will include the following changes into the trunk soon.

Changes:

  • add IPhreeqc source code (version 3.1.2-8538).

  • IPhreeqc functions will be applied within the function REACT::Call_Phreeqc(void) of OGS-PHREEQC interface to calculate geochemical reactions

(system call to PHREEQC executable will still be applied, if flag “OGS_FEM_IPQC” is not chosen).

Best regards,

Wenkui

3

Dear all,

we are glad to announce the release of the new ogs5 version (5.5.7),
which includes not only iphreeqc staffs, but also several important bug fixings.
Please find the details of the changes through the release note on ogs wiki.

Regards,
Wenkui

···

On Tuesday, March 31, 2015 at 4:17:07 PM UTC+2, Wenkui He wrote:

Dear all,

we will soon make a new version (5.5.7).

please don’t change trunk in the next few days until we make the next announcement.
Thanks!

Regards,
Wenkui

On Tuesday, March 10, 2015 at 3:29:52 PM UTC+1, Wenkui He wrote:

Dear all,

We (WH, TK, EJ) would like to include the coupling between OGS and IPhreeqc into the next release of OGS.

If there is no objection, we will include the following changes into the trunk soon.

Changes:

  • add IPhreeqc source code (version 3.1.2-8538).

  • IPhreeqc functions will be applied within the function REACT::Call_Phreeqc(void) of OGS-PHREEQC interface to calculate geochemical reactions

(system call to PHREEQC executable will still be applied, if flag “OGS_FEM_IPQC” is not chosen).

Best regards,

Wenkui

4

Wenkui, please send also the release note as not everyone can access to the wiki.

···

On 01/04/15 21:39, Wenkui He wrote:

Dear all,

we are glad to announce the release of the new ogs5 version (5.5.7),
which includes not only iphreeqc staffs, but also several important bug
fixings.
Please find the details of the changes through the release note on ogs wiki.

Regards,
Wenkui

On Tuesday, March 31, 2015 at 4:17:07 PM UTC+2, Wenkui He wrote:

    Dear all,

    we will soon make a new version (5.5.7).
    please don't change trunk in the next few days until we make the
    next announcement.
    Thanks!

    Regards,
    Wenkui

    On Tuesday, March 10, 2015 at 3:29:52 PM UTC+1, Wenkui He wrote:

        Dear all,

        We (WH, TK, EJ) would like to include the coupling between OGS
        and IPhreeqc into the next release of OGS.

        If there is no objection, we will include the following changes
        into the trunk soon.

        Changes:
        - add IPhreeqc source code (version 3.1.2-8538).
        - IPhreeqc functions will be applied within the function
        REACT::Call_Phreeqc(void) of OGS-PHREEQC interface to calculate
        geochemical reactions

           (system call to PHREEQC executable will still be applied, if
        flag “OGS_FEM_IPQC” is not chosen).

        Best regards,
        Wenkui

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Norihiro Watanabe, Dr.-Ing.
Department of Environmental Informatics

Helmholtz-Zentrum für Umweltforschung GmbH - UFZ
Helmholtz Centre for Environmental Research GmbH - UFZ
Permoserstraße 15 / 04318 Leipzig / Germany
Telefon +49 341 235 1806
norihiro.watanabe@ufz.de / www.ufz.de

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5

Release notes:

OpenGeoSys 5.5.7 (WH/TK/EJ) - 31.03.2015

Changes

  • add IPhreeqc source code (version 3.1.2-8538)

  • IPhreeqc functions are applied within the function REACT::Call_Phreeqc(void) of existing OGS-PHREEQC interface to calculate geochemical reactions (system call to PHREEQC executable will still be applied, if flag “OGS_FEM_IPQC” is not chosen).

  • deactivate TransportFlux? variable in ElementValue? due to significant memory consumption. The variable can be activated by passing -DUSE_TRANSPORT_FLUX to a compiler option

  • automatically close any open-polylines if they are used to define surfaces (i.e. the last point of a polyline should be equal to the first point)
    Bug fixes by WW/TF/MW/NW

  • improve mesh node searching. A user-provided epsilon in *.gli will be used during the search.

  • fixed a bug in CFEMesh::computeSearchLength(). When all edges have the same length, this function has number overflow.

  • fixed a bug that 2D elements are included in the face intrgration of 3D elements for ST

  • added a rank to a file name of BC output in the case of MPI parallelization

  • fixed a bug that some functions in MSH, ST, BC assumed an open polyline for a surface (i.e. the end point of a polyline is not same as the beginning point)

  • fixed a bug in ST setting. Process type was not verified in setting of the source term. With the previous code, some source terms like DIRECT type were assigned for each process in a coupled problem.

  • corrected printf arguments in ScreenMessage?()

  • fixed a bug related to the assignement of nGaussPoints in case of hybrid 3D-Meshes (reported by CB in Kiel)
    New benchmarks

  • C/IPhreeqcCoupling/isotope_fractionation/1d_isofrac
    Deactivated benchmarks

  • PETSc/ConcreteCrack/decal (a reference result is not confirmed)

···

On Wednesday, April 1, 2015 at 9:45:36 PM UTC+2, Norihiro Watanabe wrote:

Wenkui, please send also the release note as not everyone can access to the wiki.

On 01/04/15 21:39, Wenkui He wrote:

Dear all,

we are glad to announce the release of the new ogs5 version (5.5.7),
which includes not only iphreeqc staffs, but also several important bug
fixings.
Please find the details of the changes through the release note on ogs wiki.

Regards,
Wenkui

On Tuesday, March 31, 2015 at 4:17:07 PM UTC+2, Wenkui He wrote:

Dear all,

we will soon make a new version (5.5.7).
please don't change trunk in the next few days until we make the
next announcement.
Thanks!

Regards,
Wenkui

On Tuesday, March 10, 2015 at 3:29:52 PM UTC+1, Wenkui He wrote:

    Dear all,

    We (WH, TK, EJ) would like to include the coupling between OGS
    and IPhreeqc into the next release of OGS.

    If there is no objection, we will include the following changes
    into the trunk soon.

    Changes:
    - add IPhreeqc source code (version 3.1.2-8538).
    - IPhreeqc functions will be applied within the function
    REACT::Call_Phreeqc(void) of OGS-PHREEQC interface to calculate
    geochemical reactions

       (system call to PHREEQC executable will still be applied, if
    flag “OGS_FEM_IPQC” is not chosen).


    Best regards,
    Wenkui

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For more options, visit https://groups.google.com/d/optout.

–
Norihiro Watanabe, Dr.-Ing.
Department of Environmental Informatics

Helmholtz-Zentrum für Umweltforschung GmbH - UFZ
Helmholtz Centre for Environmental Research GmbH - UFZ
Permoserstraße 15 / 04318 Leipzig / Germany
Telefon +49 341 235 1806
norihiro...@ufz.de / www.ufz.de

Sitz der Gesellschaft: Leipzig
Registergericht: Amtsgericht Leipzig, Handelsregister Nr. B 4703
Vorsitzender des Aufsichtsrats: MinDirig Wilfried Kraus
Wissenschaftlicher Geschäftsführer: Prof. Dr. Georg Teutsch
Administrativer Geschäftsführer: N.N.