[gmx-developers] Possible bug with particle decomposition

[Ondrej Marsalek]

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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