[gmx-users] Continuation diferent machine.
acb15885 at uprm.edu
Wed Aug 8 00:25:14 CEST 2007
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???
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.
> 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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