[gmx-users] Continuation diferent machine.

[Erik Lindahl]

Binary identical means that the files are identical bit-for-bit, i.e.  
if you ran "cmp traj1.trr traj2.trr" it would report the files to be  
the same/indistinguishable.

This is normally only important for debugging. If you don't know it  
doesn't apply to you :-)

All that matters for you is that 3.3 >= 3.2, so it should work fine;  
the hardware doesn't matter.

Cheers,

Erik


On Aug 8, 2007, at 12:25 AM, Anthony Cruz wrote:

> Hi Erick,
>
> Thank you for you responce.  I am sorry but I dont unterstand the term
> "_binary_ identical results". The first simulation was run on a  
> linux machine
> (pentium 4) with gromacs 3.2 from the rpm included in suse. The new  
> machine
> will be  (Pentium4 Xeon) with gromacs 3.3 (manual compiled) with  
> SDSC"s Rocks
> clustering system. I think that the architecturesare more or less  
> the same. I
> am correct??? So I could continue the job in the new machine???
>
> Best Regards,
> Anthony
>
> On Tuesday 07 August 2007 5:25 pm, Erik Lindahl wrote:
>> Hi Anthony,
>>
>> As long as the version you're continuing with is the same or more
>> recent than the one you started with it should work fine; all gromacs
>> output files are stored in portable formats and are can be read by
>> newer versions.
>>
>> You are not guaranteed _binary_ identical results, though - that
>> depends on the compiler, or if you are running on architectures where
>> we use tuned assembly loops.
>>
>>
>> Cheers,
>>
>> Erik
>>
>> On Aug 7, 2007, at 10:57 PM, Anthony Cruz wrote:
>>> Hi users:
>>> I have made some simulation in one of our workstation. Now I want
>>> to extend
>>> the simulations few nanoseconds. I can continue the simulations in
>>> other
>>> machine without affecting the results? I need to use the same  
>>> gromacs
>>> version?
>>>
>>> Best Regards,
>>>
>>> Anthony
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