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

Florian Dommert dommert at icp.uni-stuttgart.de
Wed Aug 25 23:31:24 CEST 2010

Hash: SHA1

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 ?


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

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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