[gmx-developers] Possible bug with particle decomposition

[Berk Hess]

I fixed this bug.
I don't think it's really important though, domain decomposition should
be faster
than particle decomposition. Or do you need it for something special?

Berk

On 12/16/2010 03:52 PM, Ondrej Marsalek wrote:
> Sorry, forgot that. Happens both with 4.5.3 and 4.5.1, both compiled with gcc.
>
> Ondrej
>
>
> On Thu, Dec 16, 2010 at 15:10, Berk Hess <hess at cbr.su.se> wrote:
>   
>> Which version of Gromacs is this?
>>
>> Berk
>>
>> On 12/16/2010 03:05 PM, Ondrej Marsalek wrote:
>>     
>>> Dear developers,
>>>
>>> I got a colleague's simulations for debugging and it fails when I try
>>> to run it with -pd. It does run with -dd 2 2 2 or with -nt 1. The end
>>> of the output is:
>>>
>>> starting mdrun 'methyl Chloride ice'
>>> 100000 steps,    100.0 ps.
>>> tMPI error: Invalid buffer (null pointer in send or receive buffer)
>>> (in valid comm)
>>> tMPI error: Invalid buffer (null pointer in send or receive buffer)
>>> (in valid comm)
>>> Aborted
>>>
>>> The tpr can be found here:
>>>
>>> http://marge.uochb.cas.cz/~marsalek/tmp/topol.tpr
>>>
>>> Thanks for having a look at this,
>>> Ondrej
>>>
>>>       
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