[gmx-users] MD simulations on a remote workstation

[Amjad Farooq]

I have nothing to compare to! Well, I could run the same simulaton directly
on the workstation itself. May be I should do that. But, realistically, I
will have to run the test simulation for at least a month (with everything
else being equal) to get any meaningful comparison.

Anyway, I am wondering whether it would be worth the effort to upgrade my
1-Gb ethernet card to 10-Gb? If I am gonna get a mere 10% improvement in
speed then that is rubbish. But, if that is gonna translate into 100%
improvement (halve the production run time), then it is worth upgrading.

That remains to be seen.

Amjad



On Wed, Apr 2, 2014 at 2:44 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> I believe the answer pretty much depends on how large speedup you get
> with your present setup. Would you provide this info?
>
>
>
> Dr. Vitaly V. Chaban
>
>
> On Wed, Apr 2, 2014 at 7:14 PM, Amjad Farooq <amjad at farooqlab.net> wrote:
> > Hi everyone,
> >
> > I am running Gromacs 5.0-beta on a remote workstation (next door) from my
> > PC. The two machines are networked via 1-Gigabit PCI-E ethernet cards (on
> > each machine) and a CAT-6 ethernet cable.
> >
> > My question is:
> > Would my MD simulations benefit in terms of speed if I were to use
> > 10-Gigabit PCI-E ethernet cards (they are damn expensive)? Is it worth my
> > dime and time? How much would I gain in terms of speed? Halve the run
> time?
> > Or even better?
> >
> > Thank you for any suggestions that you may have.
> >
> > Amjad Farooq
> > --
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