[gmx-developers] next Gromacs release

Rossen Apostolov rossen.apostolov at cbr.su.se
Wed Jun 16 13:16:12 CEST 2010


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.
>
>    
Done!
Rossen
> 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
>>      



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