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

[hess at sbc.su.se]

Hi,

I get a compiler warning:
../../../../src/tools/g_pme_error.c: In function ‘main’:
../../../../src/tools/g_pme_error.c:47:3: warning: implicit declaration of
function ‘gmx_pme_error’

Berk


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> On 08/25/2010 11:34 PM, Roland Schulz wrote:
>> bool just has been renamed to gmx_bool. Changing that should fix your
>> compiler errors.
>>
>
> Thank you Roland. This was exactly the reason. Here is now the patch
> that compiles within the release branch.
>
> /Flo
>
>
>
>> On Wed, Aug 25, 2010 at 5:31 PM, Florian Dommert <
>> dommert at icp.uni-stuttgart.de> wrote:
>>
>> 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
>>
>>
>>>
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>>>
>
> - --
> 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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