[gmx-users] Continuation diferent machine.

[Anthony Cruz]

Thank you Erick for your rapidly responce.

On Tuesday 07 August 2007 7:58 pm, Erik Lindahl wrote:
> 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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