[gmx-developers] next Gromacs release

Rossen Apostolov rossen.apostolov at cbr.su.se
Tue Jun 8 13:27:56 CEST 2010


Hi,

I removed the unsupported options from the GPU version so that users are 
not confused and expect them to work. If we leave them, shall we issue a 
warning like "Ignoring unsupported -XXX option"?

Rossen

On 6/3/10 4:25 PM, Berk Hess wrote:
> Hi,
>
> Do we anyhow want to remove options for the GPU binary?
> It does not matter if they are there.
>
> Also command line options are removed and now the options that are there
> for both CPU and GPU are at the end, but this results in an illogical order.
> I would like the order changed back to how it was.
> I think we can leave all the CPU options the GPU binary, but leave out
> the GPU options in the CPU binary.
>
> Berk
>
>
> Carsten Kutzner wrote:
>    
>> Hi,
>>
>> I just noticed that the entries
>>      { efXVG, "-table",  "table",    ffOPTRD },
>>      { efXVG, "-tablep", "tablep",   ffOPTRD },
>>      { efXVG, "-tableb", "table",    ffOPTRD },
>> appear twice in the git master mdrun.c file argument list (l. 345-353),
>> once in the #ifndef GMX_OPENMM region. Is that intended?
>>
>> Carsten
>>
>>
>> On Wed, 2010-06-02 at 23:24 +0200, Rossen Apostolov wrote:
>>
>>      
>>> To all developers,
>>>
>>> The new release of Gromacs is coming close. Before releasing the new
>>> packages though, in the next couple of weeks until June 15:
>>>
>>> * everything in bugzilla should be cleared (David already started
>>> exterminating :). If you see a bug that you can fix or help with, please
>>> do so.
>>> * if there are still any known issues, please file a bug asap or send a
>>> patch.
>>> * do not add any new features! Berk has some AmberFF stuff but apart
>>> from that everything new should wait for the next release
>>> * make sure that everything compiles without warnings on all platforms
>>> that you have access to
>>>
>>> Hopefully all that will be done by the 15th and have a bug-free summer:)
>>>
>>> Cheers,
>>> Rossen
>>>
>>>        
>>
>>
>>      
>    




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