[gmx-developers] Tool to estimate the error for SPME

Roland Schulz roland at utk.edu
Wed Aug 25 23:34:23 CEST 2010


bool just has been renamed to gmx_bool. Changing that should fix your
compiler errors.

On Wed, Aug 25, 2010 at 5:31 PM, Florian Dommert <
dommert at icp.uni-stuttgart.de> wrote:

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> A strange thing happend. When I include my code into the current release
> branch I get compiler errors, which weren't there before.
>
> gmx_pme_error.c:110: error: expected specifier-qualifier-list before ?bool?
> gmx_pme_error.c:121: error: expected ?=?, ?,?, ?;?, ?asm? or
> ?__attribute__? before ?is_equal?
> gmx_pme_error.c:138: error: expected ?=?, ?,?, ?;?, ?asm? or
> ?__attribute__? before ?is_charge?
> gmx_pme_error.c: In function ?calc_q2all?:
> gmx_pme_error.c:176: warning: implicit declaration of function ?is_charge?
> gmx_pme_error.c: In function ?bcast_info?:
> gmx_pme_error.c:905: error: ?t_inputinfo? has no member named ?bTUNE?
> gmx_pme_error.c:905: error: ?t_inputinfo? has no member named ?bTUNE?
> gmx_pme_error.c: In function ?estimate_PME_error?:
> gmx_pme_error.c:977: error: ?t_inputinfo? has no member named ?bTUNE?
> gmx_pme_error.c: In function ?gmx_pme_error?:
> gmx_pme_error.c:1078: error: ?bool? undeclared (first use in this function)
> gmx_pme_error.c:1078: error: (Each undeclared identifier is reported
> only once
> gmx_pme_error.c:1078: error: for each function it appears in.)
> gmx_pme_error.c:1078: error: expected ?;? before ?bTUNE?
> gmx_pme_error.c:1097: error: ?bTUNE? undeclared (first use in this
> function)
> gmx_pme_error.c:1157: error: ?t_inputinfo? has no member named ?bTUNE?
>
> I will take a look at this tomorrow and will try to solve the problems
> as soon as possible. (if the changes are trivial the patch is attached)
>
> As you are merging the whole time new fixes into the branch, what is the
> best way to handle this ?
>
> /Flo
>
>
> On 08/25/2010 11:02 PM, Rossen Apostolov wrote:
> >  Hi Florian,
> >> I currently tried your suggestions, but it seems the changes are not
> >> incorporated in the patch. So I will pull a new git again. As I have
> >> just to lines to edit in the Makefile of src/tools and in
> >> src/gmxlib/copyrite.c it is no problem. If it is more easy for you I can
> >> also apply the patch to the release branch.
> > That will be better but since the changes are small it's not a big
> problem.
> >
> > Do this then:
> >
> > 1)
> >
> > if you haven't checked out the release branch yet do:
> >
> > $ git checkout -t origin/release-4-5-patches
> >
> > if you have already done it:
> >
> > $ git checkout release-4-5-patches
> > $ git pull
> >
> > 2)
> >
> > $ (edit src/tools/Makefile.am)
> > $(edit src/gmxlib/copyrite.c)
> > $ (copy g_pme_error.c to)  src/tools
> > $ git add src/tools/g_pme_error.c
> > $ git diff HEAD > g_pme_error.patch
> >
> >
> > Cheers,
> > Rossen
>
>
> - --
> Florian Dommert
> Dipl.-Phys.
>
> Institute for Computational Physics
>
> University Stuttgart
>
> Pfaffenwaldring 27
> 70569 Stuttgart
>
> Phone: +49(0)711/685-6-3613
> Fax:   +49-(0)711/685-6-3658
>
> EMail: dommert at icp.uni-stuttgart.de
> Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert
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